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 1cgt_1_A DATA FIRST_RESID 1 DATA SEQUENCE DPDTAVTNKQ SFSTDVIYQV FTDRFLDGNP SNNPTGAAYD ATcSNLKLYc DATA SEQUENCE GGDWQGLINK INDNYFSDLG VTALWISQPV ENIFATINYS GVTNTAYHGY DATA SEQUENCE WARDFKKTNP YFGTMADFQN LITTAHAKGI KIVIDFAPNH TSPAMETDTS DATA SEQUENCE FAENGRLYDN GTLVGGYTND TNGYFHHNGG SDFSSLENGI YKNLYDLADF DATA SEQUENCE NHNNATIDKY FKDAIKLWLD MGVDGIRVDA VKHMPLGWQK SWMSSIYAHK DATA SEQUENCE PVFTFGEWFL GSAASDADNT DFANKSGMSL LDFRFNSAVR NVFRDNTSNM DATA SEQUENCE YALDSMINST ATDYNQVNDQ VTFIDNHDMD RFKTSAVNNR RLEQALAFTL DATA SEQUENCE TSRGVPAIYY GTEQYLTGNG DPDNRAKMPS FSKSTTAFNV ISKLAPLRKS DATA SEQUENCE NPAIAYGSTQ QRWINNDVYV YERKFGKSVA VVAVNRNLST SASITGLSTS DATA SEQUENCE LPTGSYTDVL GGVLNGNNIT STNGSINNFT LAAGATAVWQ YTTAETTPTI DATA SEQUENCE GHVGPVMGKP GNVVTIDGRG FGSTKGTVYF GTTAVTGAAI TSWEDTQIKV DATA SEQUENCE TIPSVAAGNY AVKVAASGVN SNAYNNFTIL TGDQVTVRFV VNNASTTLGQ DATA SEQUENCE NLYLTGNVAE LGNWSTGSTA IGPAFNQVIH QYPTWYYDVS VPAGKQLEFK DATA SEQUENCE FFKKNGSTIT WESGSNHTFT TPASGTATVT VNWQ 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 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.279 176.300 -0.035 0.000 2.045 1 D CA 0.000 53.982 54.000 -0.031 0.000 0.868 1 D CB 0.000 40.772 40.800 -0.047 0.000 0.688 2 P HA 0.142 nan 4.420 nan 0.000 0.274 2 P C 0.543 177.808 177.300 -0.059 0.000 1.246 2 P CA -0.098 62.974 63.100 -0.046 0.000 0.795 2 P CB 0.860 32.531 31.700 -0.048 0.000 1.006 3 D N -0.410 119.959 120.400 -0.052 0.000 2.228 3 D HA -0.150 4.489 4.640 -0.003 0.000 0.203 3 D C 1.232 177.480 176.300 -0.087 0.000 0.988 3 D CA 1.635 55.606 54.000 -0.049 0.000 0.864 3 D CB -1.263 39.537 40.800 0.001 0.000 0.928 3 D HN 0.243 nan 8.370 nan 0.000 0.469 4 T N -0.386 114.109 114.554 -0.097 0.000 3.081 4 T HA 0.331 4.680 4.350 -0.003 0.000 0.255 4 T C 0.846 175.461 174.700 -0.142 0.000 1.113 4 T CA 0.300 62.323 62.100 -0.129 0.000 1.082 4 T CB -0.141 68.664 68.868 -0.106 0.000 0.939 4 T HN 0.409 nan 8.240 nan 0.000 0.506 5 A N 0.574 123.318 122.820 -0.127 0.000 2.425 5 A HA 0.351 4.669 4.320 -0.003 0.000 0.242 5 A C 1.749 179.228 177.584 -0.174 0.000 1.077 5 A CA -0.244 51.715 52.037 -0.129 0.000 0.781 5 A CB 0.154 19.091 19.000 -0.104 0.000 1.020 5 A HN 0.192 nan 8.150 nan 0.000 0.494 6 V N 2.315 122.124 119.914 -0.175 0.000 2.688 6 V HA -0.158 3.961 4.120 -0.003 0.000 0.256 6 V C 2.204 178.137 176.094 -0.267 0.000 1.084 6 V CA 2.860 65.025 62.300 -0.225 0.000 1.103 6 V CB -0.822 30.886 31.823 -0.191 0.000 0.688 6 V HN 1.002 nan 8.190 nan 0.000 0.480 7 T N 0.330 114.758 114.554 -0.211 0.000 3.007 7 T HA -0.074 4.275 4.350 -0.003 0.000 0.270 7 T C 1.069 175.682 174.700 -0.145 0.000 1.107 7 T CA 0.768 62.759 62.100 -0.182 0.000 1.118 7 T CB -0.488 68.303 68.868 -0.129 0.000 0.889 7 T HN 0.473 nan 8.240 nan 0.000 0.506 8 N N 2.007 120.610 118.700 -0.162 0.000 2.549 8 N HA 0.066 4.804 4.740 -0.003 0.000 0.267 8 N C 0.763 176.201 175.510 -0.119 0.000 1.182 8 N CA 0.089 53.060 53.050 -0.131 0.000 1.019 8 N CB 0.311 38.707 38.487 -0.153 0.000 1.380 8 N HN 0.313 nan 8.380 nan 0.000 0.505 9 K N 1.458 121.849 120.400 -0.015 0.000 2.366 9 K HA -0.045 4.274 4.320 -0.003 0.000 0.198 9 K C 0.775 177.529 176.600 0.257 0.000 1.044 9 K CA 0.780 57.148 56.287 0.135 0.000 0.973 9 K CB 0.400 32.980 32.500 0.132 0.000 0.767 9 K HN 0.402 nan 8.250 nan 0.000 0.475 10 Q N -0.096 119.798 119.800 0.156 0.000 2.425 10 Q HA 0.123 4.461 4.340 -0.003 0.000 0.204 10 Q C -0.066 176.071 176.000 0.227 0.000 0.933 10 Q CA 0.145 56.071 55.803 0.206 0.000 0.939 10 Q CB 1.142 29.950 28.738 0.117 0.000 1.044 10 Q HN -0.035 nan 8.270 nan 0.000 0.513 11 S N -1.015 114.720 115.700 0.059 0.000 2.572 11 S HA 0.471 4.939 4.470 -0.003 0.000 0.274 11 S C -1.118 173.309 174.600 -0.289 0.000 1.150 11 S CA -0.612 57.441 58.200 -0.245 0.000 0.944 11 S CB 0.280 63.243 63.200 -0.395 0.000 1.071 11 S HN 0.133 nan 8.310 nan 0.000 0.479 12 F N 2.388 121.815 119.950 -0.872 0.000 2.661 12 F HA 0.310 4.835 4.527 -0.003 0.000 0.306 12 F C 2.111 177.572 175.800 -0.565 0.000 1.094 12 F CA -0.172 57.416 58.000 -0.687 0.000 1.254 12 F CB 0.230 38.737 39.000 -0.822 0.000 1.040 12 F HN 0.535 nan 8.300 nan 0.000 0.562 13 S N -0.397 115.044 115.700 -0.432 0.000 2.400 13 S HA -0.202 4.266 4.470 -0.003 0.000 0.232 13 S C 2.169 176.536 174.600 -0.388 0.000 1.025 13 S CA 2.037 60.013 58.200 -0.373 0.000 0.993 13 S CB -0.556 62.442 63.200 -0.336 0.000 0.808 13 S HN 0.553 nan 8.310 nan 0.000 0.478 14 T N -0.732 113.593 114.554 -0.382 0.000 3.107 14 T HA 0.151 4.500 4.350 -0.003 0.000 0.249 14 T C 0.071 174.609 174.700 -0.271 0.000 1.096 14 T CA -0.220 61.669 62.100 -0.351 0.000 1.012 14 T CB -0.007 68.668 68.868 -0.323 0.000 0.977 14 T HN 0.078 nan 8.240 nan 0.000 0.527 15 D N 0.740 120.991 120.400 -0.249 0.000 2.384 15 D HA 0.545 5.183 4.640 -0.003 0.000 0.250 15 D C -0.870 175.371 176.300 -0.099 0.000 1.029 15 D CA -0.491 53.399 54.000 -0.183 0.000 0.990 15 D CB 2.521 43.195 40.800 -0.211 0.000 1.175 15 D HN 0.018 nan 8.370 nan 0.000 0.532 16 V N 1.806 121.693 119.914 -0.044 0.000 2.483 16 V HA 0.342 4.460 4.120 -0.003 0.000 0.297 16 V C 0.132 176.284 176.094 0.097 0.000 1.027 16 V CA -0.672 61.635 62.300 0.011 0.000 0.855 16 V CB 1.609 33.425 31.823 -0.011 0.000 0.995 16 V HN 0.356 nan 8.190 nan 0.000 0.424 17 I N 4.451 125.124 120.570 0.171 0.000 2.440 17 I HA 0.377 4.545 4.170 -0.003 0.000 0.294 17 I C -0.964 175.345 176.117 0.319 0.000 0.995 17 I CA -0.642 60.825 61.300 0.278 0.000 1.306 17 I CB 1.260 39.470 38.000 0.350 0.000 1.407 17 I HN 0.604 nan 8.210 nan 0.000 0.501 18 Y N 5.794 126.187 120.300 0.155 0.000 2.345 18 Y HA 0.248 4.796 4.550 -0.003 0.000 0.331 18 Y C -0.123 175.855 175.900 0.131 0.000 0.959 18 Y CA -0.517 57.659 58.100 0.127 0.000 1.204 18 Y CB 1.056 39.537 38.460 0.034 0.000 1.135 18 Y HN 0.491 nan 8.280 nan 0.000 0.477 19 Q N 6.133 125.883 119.800 -0.084 0.000 2.322 19 Q HA 0.530 4.869 4.340 -0.003 0.000 0.256 19 Q C -1.788 174.108 176.000 -0.173 0.000 0.960 19 Q CA -0.457 55.203 55.803 -0.238 0.000 0.934 19 Q CB 1.240 29.700 28.738 -0.463 0.000 1.200 19 Q HN 0.637 nan 8.270 nan 0.000 0.435 20 V N 5.582 125.382 119.914 -0.191 0.000 2.656 20 V HA 0.438 4.556 4.120 -0.003 0.000 0.307 20 V C -1.357 174.613 176.094 -0.207 0.000 1.051 20 V CA -0.724 61.468 62.300 -0.180 0.000 0.893 20 V CB 1.457 33.144 31.823 -0.225 0.000 0.999 20 V HN 0.738 nan 8.190 nan 0.000 0.426 21 F N 5.147 124.802 119.950 -0.492 0.000 2.462 21 F HA 0.296 4.821 4.527 -0.003 0.000 0.360 21 F C 1.906 177.539 175.800 -0.279 0.000 1.134 21 F CA 0.416 58.237 58.000 -0.298 0.000 1.148 21 F CB 1.025 39.938 39.000 -0.145 0.000 1.147 21 F HN 0.698 nan 8.300 nan 0.000 0.550 22 T N 1.185 115.585 114.554 -0.255 0.000 2.685 22 T HA -0.302 4.046 4.350 -0.003 0.000 0.268 22 T C 1.712 176.388 174.700 -0.041 0.000 1.034 22 T CA 1.982 63.928 62.100 -0.257 0.000 1.149 22 T CB -0.225 68.172 68.868 -0.785 0.000 0.860 22 T HN 0.577 nan 8.240 nan 0.000 0.449 23 D N 0.480 120.940 120.400 0.099 0.000 2.218 23 D HA -0.082 4.556 4.640 -0.003 0.000 0.204 23 D C 2.000 178.435 176.300 0.225 0.000 0.976 23 D CA 0.743 54.928 54.000 0.308 0.000 0.853 23 D CB 0.140 41.206 40.800 0.444 0.000 0.939 23 D HN 0.115 nan 8.370 nan 0.000 0.481 24 R N -0.835 119.763 120.500 0.163 0.000 2.393 24 R HA 0.115 4.453 4.340 -0.003 0.000 0.244 24 R C 0.887 177.264 176.300 0.128 0.000 0.920 24 R CA -0.143 56.021 56.100 0.107 0.000 1.076 24 R CB -0.232 30.115 30.300 0.079 0.000 1.119 24 R HN 0.284 nan 8.270 nan 0.000 0.524 25 F N 0.087 120.041 119.950 0.008 0.000 2.293 25 F HA 0.337 4.862 4.527 -0.003 0.000 0.272 25 F C 0.389 176.327 175.800 0.230 0.000 1.053 25 F CA 0.511 58.584 58.000 0.120 0.000 1.152 25 F CB 0.569 39.651 39.000 0.137 0.000 1.119 25 F HN -0.203 nan 8.300 nan 0.000 0.564 26 L N 1.218 122.616 121.223 0.292 0.000 2.516 26 L HA 0.229 4.567 4.340 -0.003 0.000 0.267 26 L C -1.663 175.311 176.870 0.173 0.000 0.957 26 L CA -0.746 54.191 54.840 0.161 0.000 0.860 26 L CB 1.451 43.563 42.059 0.088 0.000 1.265 26 L HN 0.038 nan 8.230 nan 0.000 0.403 27 D N 2.844 123.324 120.400 0.134 0.000 2.416 27 D HA 0.172 4.810 4.640 -0.003 0.000 0.240 27 D C 1.082 177.437 176.300 0.093 0.000 1.250 27 D CA 0.229 54.304 54.000 0.127 0.000 0.967 27 D CB 1.343 42.220 40.800 0.128 0.000 1.059 27 D HN 0.691 nan 8.370 nan 0.000 0.512 28 G N 3.304 112.166 108.800 0.103 0.000 2.712 28 G HA2 -0.121 3.837 3.960 -0.003 0.000 0.212 28 G HA3 -0.121 3.837 3.960 -0.003 0.000 0.212 28 G C 0.699 175.640 174.900 0.068 0.000 1.142 28 G CA -0.324 44.824 45.100 0.080 0.000 0.789 28 G HN 0.577 nan 8.290 nan 0.000 0.535 29 N N -0.328 118.412 118.700 0.068 0.000 2.653 29 N HA 0.236 4.975 4.740 -0.003 0.000 0.261 29 N C -2.415 173.109 175.510 0.022 0.000 1.216 29 N CA -1.358 51.720 53.050 0.046 0.000 0.784 29 N CB 2.056 40.578 38.487 0.058 0.000 1.327 29 N HN -0.228 nan 8.380 nan 0.000 0.539 30 P HA -0.058 nan 4.420 nan 0.000 0.222 30 P C 0.809 178.064 177.300 -0.074 0.000 1.147 30 P CA 0.952 64.032 63.100 -0.034 0.000 0.790 30 P CB 0.279 31.968 31.700 -0.017 0.000 0.780 31 S N 0.068 115.741 115.700 -0.046 0.000 2.474 31 S HA -0.102 4.366 4.470 -0.003 0.000 0.235 31 S C 1.378 175.939 174.600 -0.065 0.000 0.997 31 S CA 1.127 59.293 58.200 -0.057 0.000 0.949 31 S CB -1.028 62.154 63.200 -0.031 0.000 0.766 31 S HN 0.375 nan 8.310 nan 0.000 0.517 32 N N 1.087 119.758 118.700 -0.048 0.000 2.270 32 N HA 0.079 4.817 4.740 -0.003 0.000 0.198 32 N C -0.558 174.930 175.510 -0.036 0.000 1.117 32 N CA -0.247 52.788 53.050 -0.025 0.000 0.845 32 N CB -0.518 37.971 38.487 0.004 0.000 0.980 32 N HN 0.050 nan 8.380 nan 0.000 0.486 33 N N 2.039 120.629 118.700 -0.184 0.000 2.453 33 N HA 0.217 4.955 4.740 -0.003 0.000 0.253 33 N C -2.331 172.860 175.510 -0.533 0.000 1.252 33 N CA -1.099 51.705 53.050 -0.410 0.000 0.917 33 N CB 0.097 38.159 38.487 -0.708 0.000 1.117 33 N HN 0.185 nan 8.380 nan 0.000 0.442 34 P HA 0.124 nan 4.420 nan 0.000 0.271 34 P C -0.226 176.796 177.300 -0.463 0.000 1.233 34 P CA -0.064 62.546 63.100 -0.817 0.000 0.789 34 P CB 0.550 31.558 31.700 -1.153 0.000 0.951 35 T N -0.262 114.133 114.554 -0.266 0.000 2.912 35 T HA 0.609 4.957 4.350 -0.003 0.000 0.288 35 T C 0.163 174.834 174.700 -0.047 0.000 1.030 35 T CA 0.664 62.680 62.100 -0.140 0.000 1.020 35 T CB 0.655 69.447 68.868 -0.127 0.000 1.056 35 T HN 0.764 nan 8.240 nan 0.000 0.480 36 G N 2.053 110.858 108.800 0.008 0.000 2.498 36 G HA2 -0.084 3.875 3.960 -0.003 0.000 0.245 36 G HA3 -0.084 3.875 3.960 -0.003 0.000 0.245 36 G C 1.108 176.038 174.900 0.050 0.000 1.204 36 G CA 0.149 45.262 45.100 0.023 0.000 0.933 36 G HN 1.286 nan 8.290 nan 0.000 0.574 37 A N -0.291 122.550 122.820 0.035 0.000 2.119 37 A HA 0.494 4.813 4.320 -0.003 0.000 0.217 37 A C 2.718 180.337 177.584 0.059 0.000 1.153 37 A CA 2.600 54.660 52.037 0.038 0.000 0.692 37 A CB -0.672 18.347 19.000 0.031 0.000 0.799 37 A HN 2.261 nan 8.150 nan 0.000 0.458 38 A N -1.953 120.912 122.820 0.075 0.000 2.119 38 A HA 0.278 4.597 4.320 -0.003 0.000 0.216 38 A C 0.698 178.388 177.584 0.177 0.000 1.152 38 A CA 0.493 52.605 52.037 0.126 0.000 0.708 38 A CB -0.284 18.773 19.000 0.095 0.000 0.805 38 A HN 0.570 nan 8.150 nan 0.000 0.460 39 Y N -0.236 120.050 120.300 -0.023 0.000 2.446 39 Y HA 0.570 5.119 4.550 -0.003 0.000 0.338 39 Y C -1.445 174.447 175.900 -0.013 0.000 1.055 39 Y CA -1.999 56.085 58.100 -0.027 0.000 1.101 39 Y CB 1.525 39.925 38.460 -0.100 0.000 1.221 39 Y HN 0.089 nan 8.280 nan 0.000 0.460 40 D N 3.621 123.519 120.400 -0.837 0.000 2.386 40 D HA 0.368 5.007 4.640 -0.003 0.000 0.247 40 D C 0.135 175.937 176.300 -0.829 0.000 1.336 40 D CA 0.123 53.739 54.000 -0.642 0.000 0.976 40 D CB 1.536 42.157 40.800 -0.298 0.000 1.257 40 D HN 0.772 nan 8.370 nan 0.000 0.570 41 A N 2.448 124.778 122.820 -0.816 0.000 1.940 41 A HA -0.154 4.165 4.320 -0.003 0.000 0.219 41 A C 1.903 179.365 177.584 -0.203 0.000 1.176 41 A CA 2.364 54.150 52.037 -0.419 0.000 0.631 41 A CB -0.638 18.292 19.000 -0.118 0.000 0.814 41 A HN 0.621 nan 8.150 nan 0.000 0.446 42 T N -5.885 108.559 114.554 -0.183 0.000 3.067 42 T HA 0.008 4.356 4.350 -0.003 0.000 0.261 42 T C 0.937 175.569 174.700 -0.113 0.000 1.110 42 T CA 0.694 62.726 62.100 -0.113 0.000 1.113 42 T CB -1.035 67.780 68.868 -0.089 0.000 0.917 42 T HN 1.095 nan 8.240 nan 0.000 0.499 43 c N 2.363 120.869 118.600 -0.156 0.000 4.350 43 c HA -0.197 4.372 4.570 -0.003 0.000 0.302 43 c C 1.645 175.670 174.090 -0.108 0.000 1.390 43 c CA 0.668 56.917 56.329 -0.133 0.000 2.016 43 c CB -2.733 39.723 42.510 -0.091 0.000 1.271 43 c HN 0.860 nan 8.230 nan 0.000 0.760 44 S N -1.481 114.156 115.700 -0.104 0.000 2.512 44 S HA 0.139 4.607 4.470 -0.003 0.000 0.216 44 S C 0.188 174.739 174.600 -0.082 0.000 1.006 44 S CA 0.498 58.649 58.200 -0.081 0.000 0.915 44 S CB 0.027 63.188 63.200 -0.065 0.000 0.824 44 S HN 0.799 nan 8.310 nan 0.000 0.497 45 N N 1.649 120.290 118.700 -0.099 0.000 2.546 45 N HA 0.292 5.030 4.740 -0.003 0.000 0.238 45 N C -0.001 175.427 175.510 -0.137 0.000 0.984 45 N CA -0.621 52.374 53.050 -0.091 0.000 0.935 45 N CB 0.833 39.275 38.487 -0.074 0.000 1.122 45 N HN 0.020 nan 8.380 nan 0.000 0.510 46 L N 2.840 123.976 121.223 -0.144 0.000 2.610 46 L HA 0.178 4.516 4.340 -0.003 0.000 0.232 46 L C 1.628 178.286 176.870 -0.354 0.000 1.149 46 L CA 0.725 55.423 54.840 -0.237 0.000 0.872 46 L CB -0.338 41.625 42.059 -0.160 0.000 0.992 46 L HN 0.460 nan 8.230 nan 0.000 0.447 47 K N -0.754 119.529 120.400 -0.195 0.000 2.393 47 K HA 0.263 4.582 4.320 -0.003 0.000 0.193 47 K C 0.585 177.119 176.600 -0.110 0.000 1.026 47 K CA 0.199 56.429 56.287 -0.095 0.000 1.064 47 K CB 0.392 32.936 32.500 0.073 0.000 0.833 47 K HN 0.244 nan 8.250 nan 0.000 0.521 48 L N -0.385 120.730 121.223 -0.180 0.000 2.376 48 L HA 0.340 4.678 4.340 -0.003 0.000 0.267 48 L C 0.062 176.854 176.870 -0.129 0.000 1.035 48 L CA -1.310 53.484 54.840 -0.077 0.000 0.800 48 L CB 0.221 42.260 42.059 -0.035 0.000 1.290 48 L HN -0.112 nan 8.230 nan 0.000 0.462 49 Y N -0.887 119.402 120.300 -0.018 0.000 2.377 49 Y HA 0.013 4.561 4.550 -0.003 0.000 0.330 49 Y C 0.888 176.790 175.900 0.004 0.000 1.108 49 Y CA -0.087 58.036 58.100 0.039 0.000 1.308 49 Y CB 0.880 39.360 38.460 0.033 0.000 1.216 49 Y HN 0.524 nan 8.280 nan 0.000 0.518 50 c N 1.211 119.917 118.600 0.177 0.000 2.780 50 c HA 0.271 4.840 4.570 -0.003 0.000 0.267 50 c C 1.771 176.033 174.090 0.286 0.000 1.266 50 c CA 0.565 56.945 56.329 0.086 0.000 1.709 50 c CB -0.703 41.822 42.510 0.025 0.000 1.975 50 c HN 1.235 nan 8.230 nan 0.000 0.582 51 G N 0.306 109.342 108.800 0.393 0.000 2.176 51 G HA2 -0.078 3.881 3.960 -0.003 0.000 0.232 51 G HA3 -0.078 3.881 3.960 -0.003 0.000 0.232 51 G C 0.385 175.436 174.900 0.252 0.000 0.986 51 G CA -0.027 45.269 45.100 0.326 0.000 0.643 51 G HN 0.795 nan 8.290 nan 0.000 0.522 52 G N 0.451 109.409 108.800 0.264 0.000 2.491 52 G HA2 0.563 4.521 3.960 -0.003 0.000 0.238 52 G HA3 0.563 4.521 3.960 -0.003 0.000 0.238 52 G C -0.003 175.039 174.900 0.237 0.000 1.277 52 G CA 1.046 46.287 45.100 0.234 0.000 0.851 52 G HN 1.092 nan 8.290 nan 0.000 0.573 53 D N -1.023 119.487 120.400 0.184 0.000 2.759 53 D HA 0.198 4.837 4.640 -0.003 0.000 0.321 53 D C 0.366 176.764 176.300 0.162 0.000 1.267 53 D CA -0.860 53.204 54.000 0.107 0.000 0.933 53 D CB 0.192 41.062 40.800 0.116 0.000 1.431 53 D HN 0.314 nan 8.370 nan 0.000 0.504 54 W N -0.542 120.872 121.300 0.190 0.000 2.467 54 W HA 0.025 4.684 4.660 -0.003 0.000 0.275 54 W C 1.992 178.590 176.519 0.132 0.000 1.239 54 W CA 0.698 58.131 57.345 0.146 0.000 1.266 54 W CB -0.880 28.692 29.460 0.187 0.000 1.112 54 W HN 0.527 nan 8.180 nan 0.000 0.576 55 Q N 0.545 120.530 119.800 0.307 0.000 2.124 55 Q HA -0.072 4.267 4.340 -0.003 0.000 0.202 55 Q C 2.369 178.480 176.000 0.186 0.000 0.977 55 Q CA 2.327 58.255 55.803 0.209 0.000 0.850 55 Q CB -0.972 27.856 28.738 0.150 0.000 0.901 55 Q HN 0.167 nan 8.270 nan 0.000 0.429 56 G N 0.150 109.073 108.800 0.205 0.000 2.422 56 G HA2 -0.196 3.762 3.960 -0.003 0.000 0.218 56 G HA3 -0.196 3.762 3.960 -0.003 0.000 0.218 56 G C 1.316 176.387 174.900 0.286 0.000 1.146 56 G CA 0.875 46.098 45.100 0.205 0.000 0.769 56 G HN 0.392 nan 8.290 nan 0.000 0.547 57 L N -0.024 121.405 121.223 0.344 0.000 2.109 57 L HA 0.062 4.400 4.340 -0.003 0.000 0.207 57 L C 2.807 179.857 176.870 0.299 0.000 1.086 57 L CA 0.449 55.514 54.840 0.376 0.000 0.760 57 L CB -0.323 41.899 42.059 0.272 0.000 0.910 57 L HN 0.174 nan 8.230 nan 0.000 0.437 58 I N 0.148 120.844 120.570 0.211 0.000 2.208 58 I HA -0.311 3.858 4.170 -0.003 0.000 0.245 58 I C 2.216 178.407 176.117 0.123 0.000 1.097 58 I CA 1.132 62.520 61.300 0.146 0.000 1.363 58 I CB -0.422 37.648 38.000 0.118 0.000 1.051 58 I HN 0.351 nan 8.210 nan 0.000 0.413 59 N N 1.041 119.802 118.700 0.102 0.000 2.043 59 N HA -0.171 4.567 4.740 -0.003 0.000 0.193 59 N C 1.720 177.232 175.510 0.002 0.000 1.037 59 N CA 1.239 54.309 53.050 0.034 0.000 0.851 59 N CB -0.317 38.165 38.487 -0.010 0.000 1.027 59 N HN 0.215 nan 8.380 nan 0.000 0.422 60 K N 0.730 121.135 120.400 0.009 0.000 2.283 60 K HA 0.091 4.409 4.320 -0.003 0.000 0.202 60 K C 2.049 178.665 176.600 0.027 0.000 1.048 60 K CA 0.290 56.523 56.287 -0.091 0.000 0.948 60 K CB -0.276 32.105 32.500 -0.199 0.000 0.742 60 K HN 0.330 nan 8.250 nan 0.000 0.458 61 I N 1.244 121.957 120.570 0.239 0.000 2.286 61 I HA -0.221 3.947 4.170 -0.003 0.000 0.245 61 I C 1.673 177.870 176.117 0.133 0.000 1.104 61 I CA 0.819 62.292 61.300 0.287 0.000 1.397 61 I CB -0.184 37.966 38.000 0.250 0.000 1.072 61 I HN 0.102 nan 8.210 nan 0.000 0.417 62 N N 1.106 119.858 118.700 0.087 0.000 2.216 62 N HA -0.148 4.591 4.740 -0.003 0.000 0.183 62 N C 0.975 176.503 175.510 0.031 0.000 1.017 62 N CA 1.399 54.480 53.050 0.051 0.000 0.861 62 N CB -0.411 38.099 38.487 0.038 0.000 0.986 62 N HN 0.477 nan 8.380 nan 0.000 0.428 63 D N -0.121 120.287 120.400 0.012 0.000 2.352 63 D HA 0.037 4.676 4.640 -0.003 0.000 0.236 63 D C -0.241 176.075 176.300 0.027 0.000 1.148 63 D CA -0.217 53.784 54.000 0.003 0.000 0.844 63 D CB -0.603 40.176 40.800 -0.035 0.000 0.933 63 D HN -0.089 nan 8.370 nan 0.000 0.507 64 N N -0.606 118.122 118.700 0.046 0.000 2.741 64 N HA -0.306 4.433 4.740 -0.003 0.000 0.251 64 N C 0.273 175.820 175.510 0.062 0.000 1.112 64 N CA 0.776 53.861 53.050 0.058 0.000 0.750 64 N CB -1.844 36.670 38.487 0.046 0.000 1.119 64 N HN 0.446 nan 8.380 nan 0.000 0.561 65 Y N 0.412 120.647 120.300 -0.108 0.000 2.128 65 Y HA -0.179 4.369 4.550 -0.003 0.000 0.284 65 Y C 1.930 177.769 175.900 -0.103 0.000 1.154 65 Y CA 2.037 60.062 58.100 -0.125 0.000 1.149 65 Y CB -0.447 37.815 38.460 -0.331 0.000 0.976 65 Y HN 0.117 nan 8.280 nan 0.000 0.505 66 F N -0.571 119.389 119.950 0.016 0.000 2.163 66 F HA -0.143 4.382 4.527 -0.003 0.000 0.297 66 F C 2.640 178.349 175.800 -0.151 0.000 1.094 66 F CA 1.501 59.411 58.000 -0.149 0.000 1.290 66 F CB -1.179 37.780 39.000 -0.067 0.000 1.017 66 F HN -0.074 nan 8.300 nan 0.000 0.483 67 S N -0.177 115.580 115.700 0.094 0.000 2.368 67 S HA -0.167 4.302 4.470 -0.003 0.000 0.224 67 S C 1.574 176.170 174.600 -0.006 0.000 1.029 67 S CA 1.461 59.682 58.200 0.036 0.000 0.988 67 S CB -0.349 62.878 63.200 0.044 0.000 0.838 67 S HN 0.315 nan 8.310 nan 0.000 0.462 68 D N 1.239 121.641 120.400 0.005 0.000 2.144 68 D HA -0.010 4.628 4.640 -0.003 0.000 0.200 68 D C 1.819 178.100 176.300 -0.031 0.000 0.978 68 D CA 0.433 54.467 54.000 0.057 0.000 0.833 68 D CB -0.406 40.489 40.800 0.157 0.000 0.961 68 D HN 0.203 nan 8.370 nan 0.000 0.470 69 L N -0.066 120.971 121.223 -0.310 0.000 2.201 69 L HA 0.070 4.408 4.340 -0.003 0.000 0.212 69 L C 1.524 178.151 176.870 -0.405 0.000 1.105 69 L CA 1.925 56.279 54.840 -0.809 0.000 0.775 69 L CB -0.327 41.176 42.059 -0.926 0.000 0.913 69 L HN 0.261 nan 8.230 nan 0.000 0.440 70 G N -1.356 107.322 108.800 -0.204 0.000 2.159 70 G HA2 -0.201 3.757 3.960 -0.003 0.000 0.227 70 G HA3 -0.201 3.757 3.960 -0.003 0.000 0.227 70 G C 0.299 175.141 174.900 -0.097 0.000 0.986 70 G CA 0.198 45.221 45.100 -0.128 0.000 0.651 70 G HN 0.732 nan 8.290 nan 0.000 0.523 71 V N -0.617 119.248 119.914 -0.083 0.000 2.775 71 V HA 0.782 4.900 4.120 -0.003 0.000 0.299 71 V C 1.161 177.232 176.094 -0.039 0.000 1.062 71 V CA 0.887 63.166 62.300 -0.034 0.000 1.063 71 V CB 1.346 33.171 31.823 0.004 0.000 0.994 71 V HN 0.990 nan 8.190 nan 0.000 0.483 72 T N -0.896 113.635 114.554 -0.039 0.000 3.145 72 T HA 0.724 5.072 4.350 -0.003 0.000 0.281 72 T C 0.152 174.819 174.700 -0.055 0.000 1.003 72 T CA 0.361 62.422 62.100 -0.066 0.000 0.901 72 T CB 0.081 68.884 68.868 -0.107 0.000 1.112 72 T HN 1.732 nan 8.240 nan 0.000 0.535 73 A N 1.194 124.020 122.820 0.010 0.000 2.566 73 A HA 0.715 5.034 4.320 -0.003 0.000 0.297 73 A C -1.482 176.163 177.584 0.102 0.000 1.059 73 A CA -0.885 51.210 52.037 0.096 0.000 0.691 73 A CB 1.165 20.329 19.000 0.273 0.000 1.282 73 A HN 0.387 nan 8.150 nan 0.000 0.401 74 L N 1.824 123.089 121.223 0.070 0.000 2.296 74 L HA 0.489 4.828 4.340 -0.003 0.000 0.286 74 L C -0.903 176.104 176.870 0.228 0.000 1.023 74 L CA -0.468 54.397 54.840 0.042 0.000 0.812 74 L CB 1.602 43.566 42.059 -0.160 0.000 1.223 74 L HN 0.831 nan 8.230 nan 0.000 0.421 75 W N 7.228 128.576 121.300 0.081 0.000 2.294 75 W HA 0.597 5.255 4.660 -0.003 0.000 0.314 75 W C -0.789 175.745 176.519 0.026 0.000 1.044 75 W CA -1.655 55.746 57.345 0.095 0.000 1.284 75 W CB 0.587 30.148 29.460 0.167 0.000 1.231 75 W HN 0.374 nan 8.180 nan 0.000 0.419 76 I N 2.480 123.210 120.570 0.267 0.000 2.863 76 I HA 0.628 4.796 4.170 -0.003 0.000 0.311 76 I C 0.489 176.609 176.117 0.004 0.000 1.026 76 I CA -0.947 60.376 61.300 0.038 0.000 1.077 76 I CB 1.547 39.585 38.000 0.063 0.000 1.262 76 I HN 0.156 nan 8.210 nan 0.000 0.461 77 S N 1.782 117.358 115.700 -0.206 0.000 2.560 77 S HA -0.059 4.410 4.470 -0.003 0.000 0.276 77 S C 0.036 174.615 174.600 -0.035 0.000 1.350 77 S CA -0.282 57.754 58.200 -0.273 0.000 1.024 77 S CB 0.208 63.142 63.200 -0.443 0.000 0.864 77 S HN 0.727 nan 8.310 nan 0.000 0.536 78 Q N 2.861 122.650 119.800 -0.018 0.000 2.269 78 Q HA -0.015 4.324 4.340 -0.003 0.000 0.300 78 Q C -1.499 174.572 176.000 0.118 0.000 1.070 78 Q CA -0.964 54.862 55.803 0.039 0.000 0.957 78 Q CB 0.570 29.318 28.738 0.018 0.000 1.131 78 Q HN 0.338 nan 8.270 nan 0.000 0.377 79 P HA -0.024 nan 4.420 nan 0.000 0.249 79 P C 0.225 177.606 177.300 0.134 0.000 1.229 79 P CA 0.284 63.501 63.100 0.195 0.000 0.788 79 P CB 0.018 31.490 31.700 -0.380 0.000 1.072 80 V N -2.186 117.699 119.914 -0.048 0.000 3.036 80 V HA 0.358 4.476 4.120 -0.003 0.000 0.308 80 V C 0.366 176.448 176.094 -0.019 0.000 1.070 80 V CA -1.159 61.165 62.300 0.040 0.000 1.056 80 V CB 0.661 32.453 31.823 -0.052 0.000 1.084 80 V HN -0.084 nan 8.190 nan 0.000 0.471 81 E N 2.479 122.669 120.200 -0.016 0.000 2.417 81 E HA 0.110 4.459 4.350 -0.003 0.000 0.261 81 E C -0.170 176.307 176.600 -0.205 0.000 1.000 81 E CA 0.080 56.403 56.400 -0.128 0.000 0.919 81 E CB 0.240 29.871 29.700 -0.116 0.000 0.955 81 E HN 0.859 nan 8.360 nan 0.000 0.455 82 N N 3.155 121.720 118.700 -0.226 0.000 2.485 82 N HA 0.284 5.022 4.740 -0.003 0.000 0.280 82 N C 0.083 175.423 175.510 -0.284 0.000 1.205 82 N CA -0.757 52.202 53.050 -0.152 0.000 0.959 82 N CB 0.959 39.421 38.487 -0.041 0.000 1.206 82 N HN 0.473 nan 8.380 nan 0.000 0.545 83 I N -1.011 119.485 120.570 -0.123 0.000 2.815 83 I HA -0.033 4.135 4.170 -0.003 0.000 0.291 83 I C 0.179 176.237 176.117 -0.098 0.000 1.209 83 I CA 0.057 61.256 61.300 -0.168 0.000 1.431 83 I CB 0.194 38.182 38.000 -0.020 0.000 1.351 83 I HN 0.454 nan 8.210 nan 0.000 0.585 84 F N 3.913 123.900 119.950 0.060 0.000 2.473 84 F HA 0.334 4.860 4.527 -0.003 0.000 0.294 84 F C 1.914 177.764 175.800 0.084 0.000 1.103 84 F CA 0.153 58.205 58.000 0.087 0.000 1.442 84 F CB -0.848 38.171 39.000 0.032 0.000 1.097 84 F HN 0.647 nan 8.300 nan 0.000 0.547 85 A N 0.304 123.243 122.820 0.198 0.000 2.507 85 A HA 0.294 4.612 4.320 -0.003 0.000 0.235 85 A C 0.639 178.277 177.584 0.089 0.000 1.070 85 A CA 0.357 52.446 52.037 0.088 0.000 0.768 85 A CB -0.223 18.759 19.000 -0.030 0.000 1.011 85 A HN 0.158 nan 8.150 nan 0.000 0.502 86 T N 0.952 115.534 114.554 0.047 0.000 2.928 86 T HA 0.608 4.956 4.350 -0.003 0.000 0.284 86 T C -0.250 174.409 174.700 -0.069 0.000 1.008 86 T CA -0.076 62.058 62.100 0.057 0.000 1.057 86 T CB 0.175 69.082 68.868 0.066 0.000 1.018 86 T HN 0.406 nan 8.240 nan 0.000 0.493 87 I N 2.967 123.484 120.570 -0.089 0.000 2.545 87 I HA 0.375 4.544 4.170 -0.003 0.000 0.292 87 I C -0.278 175.699 176.117 -0.234 0.000 1.040 87 I CA -0.926 60.180 61.300 -0.324 0.000 1.068 87 I CB 2.147 39.807 38.000 -0.567 0.000 1.251 87 I HN 0.525 nan 8.210 nan 0.000 0.424 88 N N 4.524 123.088 118.700 -0.228 0.000 2.457 88 N HA 0.314 5.052 4.740 -0.003 0.000 0.250 88 N C -1.688 173.762 175.510 -0.100 0.000 0.982 88 N CA -0.284 52.715 53.050 -0.084 0.000 0.941 88 N CB 0.552 39.025 38.487 -0.023 0.000 1.120 88 N HN 0.312 nan 8.380 nan 0.000 0.505 89 Y N 2.636 123.002 120.300 0.111 0.000 2.417 89 Y HA 0.171 4.720 4.550 -0.003 0.000 0.336 89 Y C 0.326 176.267 175.900 0.069 0.000 0.961 89 Y CA -0.987 57.176 58.100 0.106 0.000 1.215 89 Y CB 0.932 39.459 38.460 0.112 0.000 1.120 89 Y HN 0.707 nan 8.280 nan 0.000 0.499 90 S N 1.317 117.137 115.700 0.199 0.000 3.378 90 S HA -0.210 4.258 4.470 -0.003 0.000 0.365 90 S C 1.236 175.891 174.600 0.090 0.000 0.951 90 S CA 0.863 59.132 58.200 0.116 0.000 1.274 90 S CB -1.906 61.352 63.200 0.096 0.000 0.915 90 S HN 1.874 nan 8.310 nan 0.000 0.513 91 G N -1.700 107.147 108.800 0.080 0.000 2.268 91 G HA2 -0.183 3.775 3.960 -0.003 0.000 0.240 91 G HA3 -0.183 3.775 3.960 -0.003 0.000 0.240 91 G C 0.306 175.246 174.900 0.066 0.000 1.010 91 G CA 0.080 45.215 45.100 0.058 0.000 0.618 91 G HN 2.124 nan 8.290 nan 0.000 0.516 92 V N 2.173 122.145 119.914 0.096 0.000 2.435 92 V HA 0.754 4.872 4.120 -0.003 0.000 0.290 92 V C 0.431 176.597 176.094 0.120 0.000 1.030 92 V CA 0.381 62.739 62.300 0.097 0.000 0.881 92 V CB 1.550 33.432 31.823 0.099 0.000 0.983 92 V HN 0.371 nan 8.190 nan 0.000 0.445 93 T N 7.223 121.831 114.554 0.089 0.000 2.870 93 T HA 0.277 4.626 4.350 -0.003 0.000 0.300 93 T C -0.082 174.704 174.700 0.143 0.000 0.989 93 T CA 0.120 62.274 62.100 0.090 0.000 1.139 93 T CB -0.203 68.702 68.868 0.063 0.000 0.920 93 T HN 0.804 nan 8.240 nan 0.000 0.537 94 N N 1.987 120.804 118.700 0.195 0.000 2.321 94 N HA 0.470 5.208 4.740 -0.003 0.000 0.299 94 N C -0.083 175.612 175.510 0.308 0.000 1.048 94 N CA -0.488 52.750 53.050 0.313 0.000 0.836 94 N CB 2.276 41.095 38.487 0.553 0.000 1.269 94 N HN 0.691 nan 8.380 nan 0.000 0.486 95 T N -2.397 112.308 114.554 0.251 0.000 2.927 95 T HA 0.560 4.909 4.350 -0.003 0.000 0.286 95 T C 0.517 175.149 174.700 -0.115 0.000 1.040 95 T CA -0.771 61.444 62.100 0.192 0.000 1.010 95 T CB 1.557 70.511 68.868 0.143 0.000 1.177 95 T HN 0.339 nan 8.240 nan 0.000 0.546 96 A N 0.489 123.213 122.820 -0.158 0.000 2.503 96 A HA 0.279 4.598 4.320 -0.003 0.000 0.263 96 A C 1.260 178.226 177.584 -1.029 0.000 1.360 96 A CA -0.248 51.399 52.037 -0.651 0.000 0.969 96 A CB -1.656 17.349 19.000 0.008 0.000 1.000 96 A HN 0.942 nan 8.150 nan 0.000 0.530 97 Y N -0.175 119.422 120.300 -1.171 0.000 2.315 97 Y HA -0.312 4.236 4.550 -0.003 0.000 0.288 97 Y C 1.984 177.616 175.900 -0.447 0.000 1.154 97 Y CA 1.630 59.070 58.100 -1.101 0.000 1.229 97 Y CB -1.078 36.890 38.460 -0.820 0.000 0.980 97 Y HN 0.721 nan 8.280 nan 0.000 0.540 98 H N -1.380 116.883 119.070 -1.345 0.000 2.529 98 H HA 0.281 4.835 4.556 -0.003 0.000 0.277 98 H C 1.941 176.672 175.328 -0.995 0.000 0.999 98 H CA 0.548 55.912 56.048 -1.139 0.000 1.256 98 H CB -0.233 28.806 29.762 -1.205 0.000 1.402 98 H HN 0.531 nan 8.280 nan 0.000 0.566 99 G N 0.974 109.465 108.800 -0.516 0.000 2.195 99 G HA2 -0.335 3.623 3.960 -0.003 0.000 0.246 99 G HA3 -0.335 3.623 3.960 -0.003 0.000 0.246 99 G C 0.359 175.174 174.900 -0.141 0.000 0.984 99 G CA 0.381 45.339 45.100 -0.237 0.000 0.633 99 G HN 0.490 nan 8.290 nan 0.000 0.525 100 Y N -0.935 119.454 120.300 0.149 0.000 2.529 100 Y HA 0.364 4.912 4.550 -0.003 0.000 0.290 100 Y C 1.016 177.163 175.900 0.413 0.000 1.177 100 Y CA -0.638 57.557 58.100 0.158 0.000 1.305 100 Y CB 0.133 38.584 38.460 -0.014 0.000 1.047 100 Y HN 0.384 nan 8.280 nan 0.000 0.522 101 W N 1.292 122.760 121.300 0.281 0.000 1.967 101 W HA 0.696 5.354 4.660 -0.002 0.000 0.296 101 W C 0.136 176.676 176.519 0.034 0.000 0.817 101 W CA -2.100 55.358 57.345 0.188 0.000 1.981 101 W CB -0.534 29.023 29.460 0.162 0.000 2.207 101 W HN -0.169 nan 8.180 nan 0.000 0.374 102 A N 1.815 124.730 122.820 0.157 0.000 2.425 102 A HA 0.436 4.755 4.320 -0.003 0.000 0.242 102 A C 1.403 178.954 177.584 -0.055 0.000 1.077 102 A CA 0.171 52.112 52.037 -0.159 0.000 0.781 102 A CB 0.570 19.115 19.000 -0.758 0.000 1.020 102 A HN 0.633 nan 8.150 nan 0.000 0.494 103 R N -0.205 120.239 120.500 -0.093 0.000 2.576 103 R HA 0.240 4.578 4.340 -0.003 0.000 0.237 103 R C -0.893 175.516 176.300 0.181 0.000 0.917 103 R CA 0.220 56.371 56.100 0.085 0.000 1.002 103 R CB 0.661 31.001 30.300 0.066 0.000 1.428 103 R HN 0.525 nan 8.270 nan 0.000 0.603 104 D N 0.103 120.538 120.400 0.059 0.000 2.616 104 D HA 0.181 4.819 4.640 -0.003 0.000 0.238 104 D C -0.710 175.715 176.300 0.208 0.000 1.354 104 D CA -0.681 53.462 54.000 0.239 0.000 0.970 104 D CB 1.074 41.985 40.800 0.185 0.000 1.369 104 D HN 0.026 nan 8.370 nan 0.000 0.585 105 F N 1.856 122.031 119.950 0.373 0.000 2.811 105 F HA 0.174 4.700 4.527 -0.003 0.000 0.301 105 F C 2.013 178.097 175.800 0.473 0.000 1.151 105 F CA 0.411 58.648 58.000 0.396 0.000 1.412 105 F CB 0.351 39.589 39.000 0.398 0.000 1.113 105 F HN 0.138 nan 8.300 nan 0.000 0.579 106 K N -0.140 120.508 120.400 0.414 0.000 2.374 106 K HA 0.189 4.507 4.320 -0.003 0.000 0.202 106 K C 0.252 176.941 176.600 0.148 0.000 1.040 106 K CA 0.123 56.536 56.287 0.210 0.000 1.085 106 K CB 0.754 33.294 32.500 0.067 0.000 0.873 106 K HN 0.146 nan 8.250 nan 0.000 0.539 107 K N 1.288 121.837 120.400 0.249 0.000 2.395 107 K HA 0.210 4.529 4.320 -0.003 0.000 0.247 107 K C -0.100 176.693 176.600 0.323 0.000 0.973 107 K CA -0.553 55.847 56.287 0.187 0.000 0.828 107 K CB 2.017 34.583 32.500 0.109 0.000 1.272 107 K HN -0.027 nan 8.250 nan 0.000 0.439 108 T N -1.161 113.584 114.554 0.318 0.000 2.828 108 T HA 0.102 4.450 4.350 -0.003 0.000 0.290 108 T C 0.353 175.149 174.700 0.160 0.000 1.019 108 T CA -0.758 61.592 62.100 0.416 0.000 1.031 108 T CB 0.630 69.825 68.868 0.545 0.000 1.001 108 T HN 0.452 nan 8.240 nan 0.000 0.531 109 N N 2.672 121.418 118.700 0.077 0.000 2.420 109 N HA 0.154 4.893 4.740 -0.003 0.000 0.262 109 N C -1.239 174.080 175.510 -0.318 0.000 1.144 109 N CA -2.370 50.554 53.050 -0.210 0.000 0.952 109 N CB 1.122 39.351 38.487 -0.431 0.000 1.081 109 N HN 0.410 nan 8.380 nan 0.000 0.480 110 P HA -0.125 nan 4.420 nan 0.000 0.222 110 P C 0.550 177.614 177.300 -0.394 0.000 1.147 110 P CA 1.130 64.018 63.100 -0.353 0.000 0.790 110 P CB 0.059 31.526 31.700 -0.389 0.000 0.780 111 Y N -1.446 118.656 120.300 -0.329 0.000 2.439 111 Y HA -0.012 4.536 4.550 -0.003 0.000 0.292 111 Y C 2.159 177.909 175.900 -0.250 0.000 1.130 111 Y CA 0.507 58.393 58.100 -0.356 0.000 1.254 111 Y CB -1.237 36.906 38.460 -0.527 0.000 1.000 111 Y HN -0.119 nan 8.280 nan 0.000 0.554 112 F N -1.047 118.707 119.950 -0.326 0.000 2.446 112 F HA 0.478 5.003 4.527 -0.003 0.000 0.292 112 F C 1.416 176.676 175.800 -0.900 0.000 1.096 112 F CA 0.335 57.863 58.000 -0.787 0.000 1.438 112 F CB -0.390 37.775 39.000 -1.390 0.000 1.107 112 F HN -0.074 nan 8.300 nan 0.000 0.546 113 G N -0.772 107.753 108.800 -0.459 0.000 2.337 113 G HA2 0.352 4.310 3.960 -0.003 0.000 0.298 113 G HA3 0.352 4.310 3.960 -0.003 0.000 0.298 113 G C -0.768 174.245 174.900 0.188 0.000 1.335 113 G CA -0.465 44.630 45.100 -0.008 0.000 0.875 113 G HN 0.175 nan 8.290 nan 0.000 0.579 114 T N -1.538 113.191 114.554 0.293 0.000 2.824 114 T HA 0.481 4.829 4.350 -0.003 0.000 0.277 114 T C 1.759 176.703 174.700 0.406 0.000 0.975 114 T CA -0.266 61.994 62.100 0.267 0.000 0.966 114 T CB 1.035 70.006 68.868 0.170 0.000 1.054 114 T HN 0.368 nan 8.240 nan 0.000 0.533 115 M N 0.556 120.329 119.600 0.290 0.000 2.149 115 M HA -0.069 4.409 4.480 -0.003 0.000 0.261 115 M C 2.705 179.163 176.300 0.263 0.000 1.064 115 M CA 1.960 57.423 55.300 0.271 0.000 1.102 115 M CB -1.866 30.811 32.600 0.128 0.000 1.369 115 M HN 0.946 nan 8.290 nan 0.000 0.408 116 A N 0.294 123.234 122.820 0.200 0.000 1.933 116 A HA -0.181 4.138 4.320 -0.003 0.000 0.218 116 A C 1.824 179.525 177.584 0.195 0.000 1.175 116 A CA 1.824 53.956 52.037 0.159 0.000 0.628 116 A CB -0.640 18.431 19.000 0.118 0.000 0.814 116 A HN 0.417 nan 8.150 nan 0.000 0.444 117 D N -1.087 119.484 120.400 0.285 0.000 2.117 117 D HA -0.134 4.505 4.640 -0.003 0.000 0.197 117 D C 1.611 178.107 176.300 0.328 0.000 0.987 117 D CA 1.119 55.324 54.000 0.341 0.000 0.829 117 D CB -0.426 40.666 40.800 0.488 0.000 0.961 117 D HN 0.439 nan 8.370 nan 0.000 0.460 118 F N 1.804 121.878 119.950 0.205 0.000 2.095 118 F HA -0.186 4.339 4.527 -0.002 0.000 0.298 118 F C 2.431 178.168 175.800 -0.105 0.000 1.104 118 F CA 1.501 59.399 58.000 -0.170 0.000 1.232 118 F CB -0.214 38.684 39.000 -0.170 0.000 0.987 118 F HN -0.073 nan 8.300 nan 0.000 0.475 119 Q N -0.467 119.366 119.800 0.055 0.000 2.170 119 Q HA -0.237 4.102 4.340 -0.003 0.000 0.203 119 Q C 2.103 178.037 176.000 -0.110 0.000 0.976 119 Q CA 1.576 57.354 55.803 -0.042 0.000 0.858 119 Q CB -0.558 28.208 28.738 0.047 0.000 0.907 119 Q HN 0.602 nan 8.270 nan 0.000 0.433 120 N N 0.488 119.159 118.700 -0.047 0.000 2.270 120 N HA -0.115 4.623 4.740 -0.003 0.000 0.181 120 N C 1.902 177.347 175.510 -0.109 0.000 1.016 120 N CA 0.193 53.218 53.050 -0.041 0.000 0.870 120 N CB 0.113 38.619 38.487 0.032 0.000 0.979 120 N HN 0.223 nan 8.380 nan 0.000 0.431 121 L N 1.183 122.292 121.223 -0.189 0.000 2.012 121 L HA -0.177 4.161 4.340 -0.003 0.000 0.210 121 L C 2.169 178.814 176.870 -0.375 0.000 1.073 121 L CA 1.182 55.859 54.840 -0.272 0.000 0.748 121 L CB -0.400 41.383 42.059 -0.460 0.000 0.891 121 L HN 0.250 nan 8.230 nan 0.000 0.431 122 I N -0.161 120.088 120.570 -0.535 0.000 2.127 122 I HA -0.285 3.883 4.170 -0.003 0.000 0.241 122 I C 2.547 178.339 176.117 -0.542 0.000 1.075 122 I CA 1.782 62.713 61.300 -0.614 0.000 1.334 122 I CB -1.618 36.054 38.000 -0.546 0.000 1.040 122 I HN 0.302 nan 8.210 nan 0.000 0.405 123 T N 0.581 114.960 114.554 -0.291 0.000 2.708 123 T HA -0.152 4.196 4.350 -0.003 0.000 0.266 123 T C 1.906 176.553 174.700 -0.088 0.000 1.037 123 T CA 2.144 64.159 62.100 -0.143 0.000 1.146 123 T CB -0.463 68.362 68.868 -0.071 0.000 0.865 123 T HN 0.354 nan 8.240 nan 0.000 0.435 124 T N 2.082 116.587 114.554 -0.083 0.000 2.684 124 T HA -0.055 4.293 4.350 -0.003 0.000 0.267 124 T C 2.402 177.089 174.700 -0.021 0.000 1.036 124 T CA 1.236 63.318 62.100 -0.030 0.000 1.148 124 T CB -0.607 68.253 68.868 -0.013 0.000 0.863 124 T HN 0.437 nan 8.240 nan 0.000 0.436 125 A N 1.181 123.956 122.820 -0.075 0.000 1.877 125 A HA -0.170 4.149 4.320 -0.003 0.000 0.216 125 A C 1.985 179.604 177.584 0.059 0.000 1.186 125 A CA 1.705 53.721 52.037 -0.034 0.000 0.620 125 A CB -1.004 17.933 19.000 -0.106 0.000 0.822 125 A HN 0.707 nan 8.150 nan 0.000 0.443 126 H N -0.930 118.110 119.070 -0.049 0.000 2.389 126 H HA 0.006 4.561 4.556 -0.003 0.000 0.299 126 H C 2.463 177.771 175.328 -0.034 0.000 1.081 126 H CA 0.554 56.575 56.048 -0.045 0.000 1.345 126 H CB 0.025 29.762 29.762 -0.043 0.000 1.393 126 H HN 0.570 nan 8.280 nan 0.000 0.520 127 A N 1.203 124.081 122.820 0.097 0.000 2.019 127 A HA -0.135 4.184 4.320 -0.003 0.000 0.219 127 A C 1.919 179.524 177.584 0.035 0.000 1.164 127 A CA 1.229 53.295 52.037 0.049 0.000 0.644 127 A CB -0.046 18.973 19.000 0.032 0.000 0.805 127 A HN 0.218 nan 8.150 nan 0.000 0.449 128 K N -1.262 119.162 120.400 0.040 0.000 2.387 128 K HA 0.195 4.513 4.320 -0.003 0.000 0.198 128 K C 0.851 177.461 176.600 0.016 0.000 1.022 128 K CA 0.597 56.903 56.287 0.031 0.000 1.128 128 K CB 0.061 32.590 32.500 0.048 0.000 0.853 128 K HN 0.684 nan 8.250 nan 0.000 0.523 129 G N 2.092 110.897 108.800 0.009 0.000 2.160 129 G HA2 -0.246 3.713 3.960 -0.003 0.000 0.244 129 G HA3 -0.246 3.713 3.960 -0.003 0.000 0.244 129 G C -0.001 174.878 174.900 -0.035 0.000 1.022 129 G CA -0.113 44.969 45.100 -0.030 0.000 0.741 129 G HN 0.284 nan 8.290 nan 0.000 0.508 130 I N 0.383 120.959 120.570 0.009 0.000 2.378 130 I HA 0.349 4.517 4.170 -0.003 0.000 0.291 130 I C 0.583 176.737 176.117 0.062 0.000 0.992 130 I CA -0.851 60.447 61.300 -0.003 0.000 1.154 130 I CB 1.505 39.496 38.000 -0.015 0.000 1.315 130 I HN -0.040 nan 8.210 nan 0.000 0.448 131 K N 5.783 126.193 120.400 0.017 0.000 2.154 131 K HA 0.532 4.850 4.320 -0.003 0.000 0.264 131 K C -0.742 175.964 176.600 0.177 0.000 1.008 131 K CA -0.617 55.730 56.287 0.100 0.000 0.937 131 K CB 1.345 33.803 32.500 -0.070 0.000 1.002 131 K HN 0.349 nan 8.250 nan 0.000 0.469 132 I N 2.565 123.270 120.570 0.225 0.000 2.406 132 I HA 0.240 4.408 4.170 -0.003 0.000 0.290 132 I C -0.391 175.875 176.117 0.247 0.000 0.999 132 I CA -0.734 60.658 61.300 0.155 0.000 1.124 132 I CB 1.526 39.522 38.000 -0.007 0.000 1.289 132 I HN 0.262 nan 8.210 nan 0.000 0.441 133 V N 7.153 127.219 119.914 0.253 0.000 2.513 133 V HA 0.525 4.643 4.120 -0.003 0.000 0.299 133 V C 0.070 176.278 176.094 0.189 0.000 1.035 133 V CA -0.687 61.734 62.300 0.201 0.000 0.889 133 V CB 2.335 34.261 31.823 0.171 0.000 0.988 133 V HN 0.595 nan 8.190 nan 0.000 0.440 134 I N 0.004 120.646 120.570 0.121 0.000 2.493 134 I HA 0.666 4.834 4.170 -0.003 0.000 0.298 134 I C -0.366 175.810 176.117 0.099 0.000 0.998 134 I CA -0.772 60.611 61.300 0.139 0.000 1.137 134 I CB 1.559 39.612 38.000 0.088 0.000 1.310 134 I HN 0.321 nan 8.210 nan 0.000 0.445 135 D N 3.903 124.413 120.400 0.183 0.000 2.423 135 D HA 0.299 4.937 4.640 -0.003 0.000 0.238 135 D C -1.233 175.216 176.300 0.248 0.000 1.142 135 D CA 0.871 54.983 54.000 0.188 0.000 0.884 135 D CB 0.850 41.780 40.800 0.217 0.000 1.199 135 D HN 0.453 nan 8.370 nan 0.000 0.438 136 F N 0.625 120.619 119.950 0.073 0.000 2.573 136 F HA 0.486 5.012 4.527 -0.002 0.000 0.316 136 F C -0.999 174.890 175.800 0.148 0.000 1.148 136 F CA -0.919 57.169 58.000 0.146 0.000 0.940 136 F CB 1.577 40.692 39.000 0.191 0.000 1.214 136 F HN 0.274 nan 8.300 nan 0.000 0.448 137 A N 7.040 129.820 122.820 -0.066 0.000 2.802 137 A HA 0.548 4.866 4.320 -0.003 0.000 0.344 137 A C -2.450 175.010 177.584 -0.207 0.000 1.215 137 A CA -1.238 50.761 52.037 -0.064 0.000 0.821 137 A CB -0.098 18.918 19.000 0.027 0.000 1.099 137 A HN 0.446 nan 8.150 nan 0.000 0.479 138 P HA -0.016 nan 4.420 nan 0.000 0.245 138 P C 0.877 177.887 177.300 -0.483 0.000 1.212 138 P CA 0.591 63.090 63.100 -1.002 0.000 0.774 138 P CB 0.148 31.000 31.700 -1.413 0.000 0.999 139 N N 0.528 119.099 118.700 -0.216 0.000 2.354 139 N HA -0.100 4.638 4.740 -0.003 0.000 0.179 139 N C 0.557 176.168 175.510 0.169 0.000 1.021 139 N CA 0.554 53.617 53.050 0.022 0.000 0.887 139 N CB -0.029 38.498 38.487 0.066 0.000 0.974 139 N HN 0.273 nan 8.380 nan 0.000 0.437 140 H N -4.995 114.256 119.070 0.302 0.000 2.967 140 H HA 0.231 4.786 4.556 -0.003 0.000 0.318 140 H C -0.126 175.321 175.328 0.198 0.000 1.375 140 H CA -0.168 55.919 56.048 0.065 0.000 1.132 140 H CB 0.721 30.488 29.762 0.008 0.000 1.848 140 H HN 0.019 nan 8.280 nan 0.000 0.524 141 T N -0.428 114.200 114.554 0.123 0.000 3.207 141 T HA 0.290 4.638 4.350 -0.003 0.000 0.229 141 T C 0.743 175.609 174.700 0.277 0.000 0.999 141 T CA 0.910 63.160 62.100 0.250 0.000 1.386 141 T CB -0.514 68.402 68.868 0.080 0.000 1.130 141 T HN 0.851 nan 8.240 nan 0.000 0.435 142 S N 0.460 116.152 115.700 -0.013 0.000 2.643 142 S HA 0.606 5.074 4.470 -0.003 0.000 0.270 142 S C -3.412 170.950 174.600 -0.397 0.000 1.166 142 S CA -1.572 56.503 58.200 -0.208 0.000 0.815 142 S CB 0.962 64.077 63.200 -0.142 0.000 1.139 142 S HN 0.203 nan 8.310 nan 0.000 0.472 143 P HA 0.465 nan 4.420 nan 0.000 0.265 143 P C -1.003 176.216 177.300 -0.136 0.000 1.193 143 P CA 0.323 63.242 63.100 -0.302 0.000 0.765 143 P CB 0.405 31.917 31.700 -0.313 0.000 0.823 144 A N 3.697 126.476 122.820 -0.069 0.000 2.594 144 A HA 0.778 5.097 4.320 -0.003 0.000 0.295 144 A C -1.192 176.357 177.584 -0.058 0.000 1.071 144 A CA -0.599 51.401 52.037 -0.061 0.000 0.685 144 A CB 1.287 20.044 19.000 -0.404 0.000 1.285 144 A HN 0.417 nan 8.150 nan 0.000 0.405 145 M N 1.578 121.207 119.600 0.048 0.000 2.142 145 M HA 0.267 4.746 4.480 -0.003 0.000 0.299 145 M C 0.717 177.082 176.300 0.108 0.000 0.960 145 M CA -0.297 54.980 55.300 -0.037 0.000 0.920 145 M CB 2.009 34.493 32.600 -0.192 0.000 1.541 145 M HN 1.061 nan 8.290 nan 0.000 0.429 146 E N 1.076 121.398 120.200 0.203 0.000 2.110 146 E HA -0.167 4.182 4.350 -0.003 0.000 0.193 146 E C 1.431 178.055 176.600 0.039 0.000 0.988 146 E CA 2.063 58.557 56.400 0.156 0.000 0.804 146 E CB 0.404 30.161 29.700 0.095 0.000 0.745 146 E HN 0.836 nan 8.360 nan 0.000 0.458 147 T N -1.994 112.568 114.554 0.014 0.000 3.118 147 T HA -0.056 4.292 4.350 -0.003 0.000 0.260 147 T C 0.359 175.056 174.700 -0.005 0.000 1.139 147 T CA 0.534 62.628 62.100 -0.010 0.000 1.085 147 T CB 0.222 69.075 68.868 -0.026 0.000 0.934 147 T HN -0.060 nan 8.240 nan 0.000 0.518 148 D N 1.536 121.943 120.400 0.011 0.000 2.346 148 D HA 0.220 4.859 4.640 -0.003 0.000 0.255 148 D C 1.141 177.483 176.300 0.069 0.000 1.276 148 D CA -0.302 53.715 54.000 0.028 0.000 0.941 148 D CB 1.359 42.166 40.800 0.011 0.000 1.199 148 D HN 0.144 nan 8.370 nan 0.000 0.537 149 T N -0.644 113.941 114.554 0.051 0.000 3.051 149 T HA -0.141 4.208 4.350 -0.003 0.000 0.269 149 T C 1.694 176.426 174.700 0.055 0.000 1.127 149 T CA 1.158 63.289 62.100 0.053 0.000 1.107 149 T CB -0.108 68.778 68.868 0.031 0.000 0.898 149 T HN 0.243 nan 8.240 nan 0.000 0.517 150 S N 0.230 115.968 115.700 0.063 0.000 2.527 150 S HA 0.157 4.626 4.470 -0.003 0.000 0.222 150 S C 0.339 174.980 174.600 0.069 0.000 0.985 150 S CA -0.800 57.431 58.200 0.051 0.000 0.921 150 S CB -0.843 62.384 63.200 0.044 0.000 0.772 150 S HN 0.493 nan 8.310 nan 0.000 0.529 151 F N 3.509 123.425 119.950 -0.058 0.000 2.467 151 F HA 0.531 5.057 4.527 -0.003 0.000 0.362 151 F C 0.999 176.734 175.800 -0.109 0.000 1.090 151 F CA -0.194 57.752 58.000 -0.091 0.000 1.202 151 F CB 0.176 39.117 39.000 -0.097 0.000 1.113 151 F HN 0.513 nan 8.300 nan 0.000 0.541 152 A N 4.809 127.186 122.820 -0.740 0.000 5.476 152 A HA -0.357 3.961 4.320 -0.003 0.000 0.327 152 A C 0.999 178.423 177.584 -0.267 0.000 1.778 152 A CA 1.660 53.333 52.037 -0.608 0.000 0.721 152 A CB -1.423 17.051 19.000 -0.876 0.000 1.388 152 A HN 0.822 nan 8.150 nan 0.000 0.397 153 E N 1.033 121.114 120.200 -0.197 0.000 2.585 153 E HA 0.245 4.594 4.350 -0.003 0.000 0.206 153 E C 0.375 176.938 176.600 -0.062 0.000 1.007 153 E CA 0.360 56.712 56.400 -0.080 0.000 1.028 153 E CB -0.063 29.615 29.700 -0.036 0.000 1.087 153 E HN 0.665 nan 8.360 nan 0.000 0.455 154 N N 0.836 119.492 118.700 -0.074 0.000 2.708 154 N HA -0.235 4.504 4.740 -0.003 0.000 0.249 154 N C 0.662 176.094 175.510 -0.130 0.000 1.097 154 N CA 0.416 53.440 53.050 -0.042 0.000 0.710 154 N CB -0.854 37.635 38.487 0.004 0.000 1.032 154 N HN 0.563 nan 8.380 nan 0.000 0.551 155 G N 0.248 108.932 108.800 -0.194 0.000 2.296 155 G HA2 -0.361 3.597 3.960 -0.003 0.000 0.282 155 G HA3 -0.361 3.597 3.960 -0.003 0.000 0.282 155 G C 0.230 175.021 174.900 -0.182 0.000 1.014 155 G CA 0.860 45.797 45.100 -0.273 0.000 0.812 155 G HN 0.667 nan 8.290 nan 0.000 0.508 156 R N -1.167 119.291 120.500 -0.070 0.000 2.623 156 R HA 0.428 4.766 4.340 -0.003 0.000 0.271 156 R C 0.228 176.524 176.300 -0.008 0.000 1.043 156 R CA -0.316 55.754 56.100 -0.049 0.000 1.083 156 R CB 0.631 30.869 30.300 -0.104 0.000 0.974 156 R HN 0.280 nan 8.270 nan 0.000 0.436 157 L N 3.158 124.353 121.223 -0.046 0.000 2.329 157 L HA 0.417 4.756 4.340 -0.003 0.000 0.279 157 L C -1.495 175.181 176.870 -0.324 0.000 1.014 157 L CA -0.465 54.370 54.840 -0.007 0.000 0.814 157 L CB 1.163 43.256 42.059 0.056 0.000 1.257 157 L HN 0.409 nan 8.230 nan 0.000 0.424 158 Y N 1.794 122.131 120.300 0.063 0.000 2.509 158 Y HA 0.495 5.043 4.550 -0.003 0.000 0.341 158 Y C -0.533 175.459 175.900 0.154 0.000 1.038 158 Y CA -0.677 57.465 58.100 0.071 0.000 1.089 158 Y CB 1.705 40.204 38.460 0.065 0.000 1.241 158 Y HN 0.535 nan 8.280 nan 0.000 0.468 159 D N 2.297 122.876 120.400 0.298 0.000 2.464 159 D HA 0.123 4.761 4.640 -0.003 0.000 0.243 159 D C -0.315 176.122 176.300 0.228 0.000 1.104 159 D CA -0.388 53.823 54.000 0.352 0.000 0.883 159 D CB 0.038 41.006 40.800 0.280 0.000 1.050 159 D HN 0.599 nan 8.370 nan 0.000 0.524 160 N N 3.421 122.243 118.700 0.203 0.000 2.707 160 N HA -0.259 4.480 4.740 -0.003 0.000 0.253 160 N C 0.981 176.560 175.510 0.115 0.000 0.998 160 N CA 2.013 55.137 53.050 0.124 0.000 0.751 160 N CB -1.046 37.482 38.487 0.068 0.000 0.920 160 N HN 0.843 nan 8.380 nan 0.000 0.539 161 G N -2.901 105.992 108.800 0.154 0.000 2.279 161 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.223 161 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.223 161 G C 0.245 175.291 174.900 0.242 0.000 1.015 161 G CA 0.287 45.457 45.100 0.116 0.000 0.621 161 G HN 0.662 nan 8.290 nan 0.000 0.506 162 T N 2.416 117.108 114.554 0.230 0.000 2.794 162 T HA 0.531 4.879 4.350 -0.003 0.000 0.296 162 T C 0.262 175.086 174.700 0.206 0.000 0.949 162 T CA -0.202 62.018 62.100 0.200 0.000 1.101 162 T CB 1.937 70.874 68.868 0.115 0.000 0.905 162 T HN 0.635 nan 8.240 nan 0.000 0.516 163 L N 5.313 126.620 121.223 0.140 0.000 2.499 163 L HA 0.122 4.460 4.340 -0.003 0.000 0.273 163 L C 0.932 177.727 176.870 -0.126 0.000 1.195 163 L CA 0.611 55.349 54.840 -0.170 0.000 0.882 163 L CB 0.439 42.416 42.059 -0.137 0.000 1.133 163 L HN 0.551 nan 8.230 nan 0.000 0.483 164 V N 3.967 123.748 119.914 -0.222 0.000 2.521 164 V HA 0.554 4.672 4.120 -0.003 0.000 0.239 164 V C 0.969 177.016 176.094 -0.078 0.000 1.053 164 V CA 0.828 63.005 62.300 -0.205 0.000 1.073 164 V CB -0.180 31.384 31.823 -0.431 0.000 0.746 164 V HN 1.018 nan 8.190 nan 0.000 0.476 165 G N -1.678 107.087 108.800 -0.058 0.000 2.355 165 G HA2 0.519 4.477 3.960 -0.003 0.000 0.296 165 G HA3 0.519 4.477 3.960 -0.003 0.000 0.296 165 G C -0.787 174.229 174.900 0.194 0.000 1.507 165 G CA -0.057 45.134 45.100 0.152 0.000 0.823 165 G HN 0.499 nan 8.290 nan 0.000 0.569 166 G N -1.634 107.277 108.800 0.186 0.000 2.932 166 G HA2 0.502 4.461 3.960 -0.003 0.000 0.283 166 G HA3 0.502 4.461 3.960 -0.003 0.000 0.283 166 G C 0.225 175.186 174.900 0.103 0.000 1.336 166 G CA -0.341 44.817 45.100 0.096 0.000 1.056 166 G HN 0.664 nan 8.290 nan 0.000 0.522 167 Y N 0.015 120.153 120.300 -0.271 0.000 2.337 167 Y HA 0.148 4.697 4.550 -0.003 0.000 0.293 167 Y C 1.754 177.665 175.900 0.019 0.000 1.123 167 Y CA 1.046 58.986 58.100 -0.268 0.000 1.201 167 Y CB 0.026 38.234 38.460 -0.420 0.000 1.011 167 Y HN 0.299 nan 8.280 nan 0.000 0.545 168 T N 2.577 117.144 114.554 0.021 0.000 2.856 168 T HA 0.102 4.450 4.350 -0.003 0.000 0.292 168 T C -0.224 174.443 174.700 -0.056 0.000 0.980 168 T CA -0.260 61.812 62.100 -0.048 0.000 1.091 168 T CB 0.331 69.195 68.868 -0.006 0.000 0.936 168 T HN 0.315 nan 8.240 nan 0.000 0.503 169 N N 1.710 120.341 118.700 -0.116 0.000 2.758 169 N HA -0.149 4.590 4.740 -0.003 0.000 0.248 169 N C -0.697 174.758 175.510 -0.092 0.000 1.076 169 N CA 0.525 53.511 53.050 -0.107 0.000 0.696 169 N CB -1.011 37.441 38.487 -0.059 0.000 0.979 169 N HN 0.761 nan 8.380 nan 0.000 0.550 170 D N 0.292 120.612 120.400 -0.133 0.000 2.558 170 D HA 0.172 4.810 4.640 -0.003 0.000 0.221 170 D C 1.482 177.673 176.300 -0.182 0.000 1.143 170 D CA 0.251 54.215 54.000 -0.060 0.000 1.010 170 D CB 0.157 41.042 40.800 0.142 0.000 1.068 170 D HN 0.354 nan 8.370 nan 0.000 0.511 171 T N -0.068 114.381 114.554 -0.175 0.000 2.951 171 T HA -0.105 4.244 4.350 -0.003 0.000 0.268 171 T C 1.435 175.992 174.700 -0.240 0.000 1.073 171 T CA 0.402 62.392 62.100 -0.184 0.000 1.134 171 T CB -0.058 68.730 68.868 -0.133 0.000 0.884 171 T HN 0.174 nan 8.240 nan 0.000 0.479 172 N N 1.649 120.122 118.700 -0.379 0.000 2.494 172 N HA 0.097 4.836 4.740 -0.003 0.000 0.182 172 N C 1.493 176.682 175.510 -0.536 0.000 1.076 172 N CA 0.895 53.609 53.050 -0.560 0.000 0.908 172 N CB -0.257 37.580 38.487 -1.083 0.000 0.967 172 N HN 0.738 nan 8.380 nan 0.000 0.449 173 G N 0.903 109.482 108.800 -0.369 0.000 2.246 173 G HA2 -0.301 3.657 3.960 -0.003 0.000 0.273 173 G HA3 -0.301 3.657 3.960 -0.003 0.000 0.273 173 G C 0.356 175.156 174.900 -0.166 0.000 1.055 173 G CA 0.156 45.153 45.100 -0.172 0.000 0.851 173 G HN 0.305 nan 8.290 nan 0.000 0.500 174 Y N -1.247 118.975 120.300 -0.130 0.000 2.403 174 Y HA 0.289 4.838 4.550 -0.002 0.000 0.291 174 Y C 1.487 177.014 175.900 -0.622 0.000 1.143 174 Y CA 0.639 58.501 58.100 -0.397 0.000 1.257 174 Y CB -0.242 37.883 38.460 -0.557 0.000 0.984 174 Y HN 0.387 nan 8.280 nan 0.000 0.550 175 F N -2.487 117.503 119.950 0.067 0.000 2.611 175 F HA 0.420 4.946 4.527 -0.003 0.000 0.324 175 F C -0.055 175.619 175.800 -0.209 0.000 1.061 175 F CA -1.766 56.170 58.000 -0.107 0.000 0.954 175 F CB 0.938 39.933 39.000 -0.008 0.000 1.301 175 F HN -0.268 nan 8.300 nan 0.000 0.482 176 H N 0.358 119.464 119.070 0.060 0.000 2.525 176 H HA 0.294 4.848 4.556 -0.003 0.000 0.339 176 H C -0.513 174.652 175.328 -0.272 0.000 1.109 176 H CA -0.267 55.768 56.048 -0.023 0.000 1.352 176 H CB 0.709 30.492 29.762 0.035 0.000 1.461 176 H HN 0.444 nan 8.280 nan 0.000 0.533 177 H N 2.693 121.857 119.070 0.156 0.000 2.500 177 H HA 0.134 4.688 4.556 -0.002 0.000 0.243 177 H C -0.221 175.117 175.328 0.017 0.000 1.318 177 H CA -0.108 55.956 56.048 0.026 0.000 1.077 177 H CB 0.010 29.700 29.762 -0.120 0.000 1.748 177 H HN 0.733 nan 8.280 nan 0.000 0.556 178 N N 0.190 118.927 118.700 0.061 0.000 2.234 178 N HA 0.242 4.980 4.740 -0.003 0.000 0.227 178 N C 0.902 176.392 175.510 -0.033 0.000 1.151 178 N CA 0.252 53.296 53.050 -0.010 0.000 0.865 178 N CB 1.664 40.112 38.487 -0.065 0.000 1.066 178 N HN 0.533 nan 8.380 nan 0.000 0.515 179 G N -0.007 108.790 108.800 -0.004 0.000 2.681 179 G HA2 -0.101 3.858 3.960 -0.003 0.000 0.220 179 G HA3 -0.101 3.858 3.960 -0.003 0.000 0.220 179 G C -0.129 174.716 174.900 -0.091 0.000 1.353 179 G CA -0.622 44.454 45.100 -0.039 0.000 0.872 179 G HN 0.345 nan 8.290 nan 0.000 0.557 180 G N -0.927 107.793 108.800 -0.133 0.000 2.417 180 G HA2 0.692 4.650 3.960 -0.003 0.000 0.334 180 G HA3 0.692 4.650 3.960 -0.003 0.000 0.334 180 G C 0.226 174.941 174.900 -0.307 0.000 1.150 180 G CA 1.124 46.097 45.100 -0.211 0.000 0.923 180 G HN 1.660 nan 8.290 nan 0.000 0.485 181 S N -0.642 114.761 115.700 -0.495 0.000 2.564 181 S HA 0.175 4.644 4.470 -0.003 0.000 0.278 181 S C 0.895 175.022 174.600 -0.788 0.000 1.333 181 S CA 0.025 57.803 58.200 -0.703 0.000 1.048 181 S CB 0.850 63.431 63.200 -1.031 0.000 0.900 181 S HN 0.647 nan 8.310 nan 0.000 0.505 182 D N 2.322 122.397 120.400 -0.543 0.000 2.369 182 D HA 0.099 4.738 4.640 -0.003 0.000 0.211 182 D C 0.191 176.388 176.300 -0.171 0.000 1.077 182 D CA -0.251 53.567 54.000 -0.303 0.000 0.842 182 D CB -0.674 40.043 40.800 -0.139 0.000 0.947 182 D HN 0.503 nan 8.370 nan 0.000 0.509 183 F N 0.475 120.367 119.950 -0.097 0.000 3.084 183 F HA -0.281 4.245 4.527 -0.002 0.000 0.286 183 F C 1.622 177.392 175.800 -0.049 0.000 0.855 183 F CA 0.682 58.638 58.000 -0.075 0.000 1.091 183 F CB -2.693 36.264 39.000 -0.072 0.000 1.177 183 F HN 0.191 nan 8.300 nan 0.000 0.542 184 S N -1.981 113.727 115.700 0.014 0.000 2.496 184 S HA 0.296 4.765 4.470 -0.003 0.000 0.224 184 S C 0.775 175.385 174.600 0.017 0.000 0.996 184 S CA 0.541 58.753 58.200 0.020 0.000 0.927 184 S CB 0.290 63.480 63.200 -0.016 0.000 0.774 184 S HN 0.719 nan 8.310 nan 0.000 0.524 185 S N -0.437 115.261 115.700 -0.003 0.000 2.625 185 S HA 0.591 5.059 4.470 -0.003 0.000 0.271 185 S C 0.155 174.745 174.600 -0.018 0.000 1.161 185 S CA -0.698 57.503 58.200 0.001 0.000 0.820 185 S CB 1.005 64.186 63.200 -0.032 0.000 1.137 185 S HN 0.091 nan 8.310 nan 0.000 0.470 186 L N 1.419 122.650 121.223 0.012 0.000 2.017 186 L HA 0.049 4.387 4.340 -0.003 0.000 0.208 186 L C 2.524 179.295 176.870 -0.166 0.000 1.073 186 L CA 2.543 57.381 54.840 -0.003 0.000 0.745 186 L CB -0.942 41.225 42.059 0.180 0.000 0.894 186 L HN 1.028 nan 8.230 nan 0.000 0.432 187 E N -0.584 119.396 120.200 -0.366 0.000 2.058 187 E HA -0.330 4.018 4.350 -0.003 0.000 0.194 187 E C 2.078 178.492 176.600 -0.309 0.000 0.997 187 E CA 1.702 57.657 56.400 -0.742 0.000 0.801 187 E CB -0.270 28.869 29.700 -0.935 0.000 0.746 187 E HN 0.685 nan 8.360 nan 0.000 0.450 188 N N -0.742 117.827 118.700 -0.218 0.000 2.104 188 N HA -0.127 4.612 4.740 -0.003 0.000 0.190 188 N C 1.793 177.178 175.510 -0.208 0.000 1.024 188 N CA 1.607 54.549 53.050 -0.181 0.000 0.853 188 N CB -0.316 38.070 38.487 -0.168 0.000 1.008 188 N HN 0.204 nan 8.380 nan 0.000 0.424 189 G N -0.566 108.136 108.800 -0.164 0.000 2.598 189 G HA2 -0.038 3.921 3.960 -0.003 0.000 0.215 189 G HA3 -0.038 3.921 3.960 -0.003 0.000 0.215 189 G C 1.340 176.225 174.900 -0.025 0.000 1.131 189 G CA 0.280 45.342 45.100 -0.063 0.000 0.785 189 G HN 0.332 nan 8.290 nan 0.000 0.539 190 I N -1.445 118.996 120.570 -0.214 0.000 2.628 190 I HA 0.091 4.259 4.170 -0.003 0.000 0.255 190 I C 1.357 177.181 176.117 -0.490 0.000 1.119 190 I CA 0.553 61.623 61.300 -0.382 0.000 1.448 190 I CB 0.236 37.857 38.000 -0.631 0.000 1.133 190 I HN 0.083 nan 8.210 nan 0.000 0.438 191 Y N 1.053 121.234 120.300 -0.198 0.000 2.507 191 Y HA 0.311 4.859 4.550 -0.003 0.000 0.254 191 Y C 0.559 176.203 175.900 -0.426 0.000 1.171 191 Y CA -0.286 57.550 58.100 -0.441 0.000 1.238 191 Y CB 0.042 38.255 38.460 -0.413 0.000 1.148 191 Y HN -0.093 nan 8.280 nan 0.000 0.525 192 K N 0.185 120.485 120.400 -0.166 0.000 2.306 192 K HA 0.325 4.644 4.320 -0.003 0.000 0.236 192 K C -0.692 175.812 176.600 -0.159 0.000 1.013 192 K CA -1.260 54.933 56.287 -0.157 0.000 0.857 192 K CB 0.945 33.317 32.500 -0.214 0.000 1.214 192 K HN -0.124 nan 8.250 nan 0.000 0.449 193 N N 1.477 120.079 118.700 -0.163 0.000 2.492 193 N HA 0.084 4.822 4.740 -0.003 0.000 0.262 193 N C -0.453 174.863 175.510 -0.322 0.000 1.202 193 N CA 0.063 52.993 53.050 -0.199 0.000 0.926 193 N CB 0.312 38.679 38.487 -0.200 0.000 1.078 193 N HN 0.339 nan 8.380 nan 0.000 0.454 194 L N 4.465 125.491 121.223 -0.328 0.000 2.342 194 L HA 0.108 4.447 4.340 -0.003 0.000 0.285 194 L C 0.257 176.909 176.870 -0.362 0.000 1.095 194 L CA -0.177 54.368 54.840 -0.492 0.000 0.843 194 L CB -0.629 41.170 42.059 -0.432 0.000 1.201 194 L HN 0.554 nan 8.230 nan 0.000 0.445 195 Y N 1.528 121.766 120.300 -0.104 0.000 2.852 195 Y HA -0.431 4.118 4.550 -0.003 0.000 0.469 195 Y C 1.402 177.214 175.900 -0.146 0.000 1.168 195 Y CA 1.389 59.428 58.100 -0.101 0.000 2.632 195 Y CB -1.076 37.329 38.460 -0.092 0.000 1.196 195 Y HN 0.833 nan 8.280 nan 0.000 0.624 196 D N 0.725 121.144 120.400 0.033 0.000 2.440 196 D HA 0.255 4.893 4.640 -0.003 0.000 0.216 196 D C -0.253 175.923 176.300 -0.207 0.000 1.150 196 D CA 0.049 53.994 54.000 -0.093 0.000 0.832 196 D CB -0.569 40.220 40.800 -0.018 0.000 0.992 196 D HN 0.401 nan 8.370 nan 0.000 0.502 197 L N 1.304 122.400 121.223 -0.213 0.000 2.360 197 L HA 0.399 4.737 4.340 -0.003 0.000 0.276 197 L C 0.705 177.358 176.870 -0.362 0.000 1.121 197 L CA -0.864 53.795 54.840 -0.302 0.000 0.845 197 L CB 0.847 42.685 42.059 -0.369 0.000 1.143 197 L HN 0.016 nan 8.230 nan 0.000 0.452 198 A N 2.928 125.443 122.820 -0.508 0.000 2.505 198 A HA 0.025 4.344 4.320 -0.003 0.000 0.271 198 A C -0.062 177.352 177.584 -0.284 0.000 1.112 198 A CA -0.215 51.386 52.037 -0.727 0.000 0.781 198 A CB -0.345 18.022 19.000 -1.054 0.000 1.059 198 A HN 0.736 nan 8.150 nan 0.000 0.508 199 D N 2.235 122.568 120.400 -0.112 0.000 2.317 199 D HA 0.402 5.040 4.640 -0.003 0.000 0.252 199 D C -0.330 175.980 176.300 0.016 0.000 1.174 199 D CA 0.197 54.215 54.000 0.030 0.000 0.866 199 D CB 0.071 40.947 40.800 0.127 0.000 1.127 199 D HN 0.340 nan 8.370 nan 0.000 0.467 200 F N 2.647 122.551 119.950 -0.076 0.000 2.563 200 F HA 0.098 4.624 4.527 -0.002 0.000 0.363 200 F C 1.242 176.555 175.800 -0.812 0.000 1.123 200 F CA -0.171 57.529 58.000 -0.501 0.000 1.307 200 F CB 0.285 38.813 39.000 -0.787 0.000 1.115 200 F HN 0.293 nan 8.300 nan 0.000 0.592 201 N N 2.136 120.494 118.700 -0.569 0.000 2.589 201 N HA 0.111 4.850 4.740 -0.003 0.000 0.232 201 N C 0.119 175.374 175.510 -0.425 0.000 1.015 201 N CA -0.220 52.465 53.050 -0.609 0.000 0.931 201 N CB -0.068 38.171 38.487 -0.412 0.000 1.150 201 N HN 0.493 nan 8.380 nan 0.000 0.512 202 H N 0.926 119.804 119.070 -0.318 0.000 2.555 202 H HA 0.079 4.633 4.556 -0.002 0.000 0.269 202 H C 1.518 176.714 175.328 -0.219 0.000 0.988 202 H CA 0.417 56.142 56.048 -0.539 0.000 1.178 202 H CB 0.304 29.275 29.762 -1.318 0.000 1.373 202 H HN 0.590 nan 8.280 nan 0.000 0.588 203 N N 1.187 119.915 118.700 0.047 0.000 2.457 203 N HA -0.122 4.616 4.740 -0.003 0.000 0.180 203 N C 0.148 175.704 175.510 0.078 0.000 1.050 203 N CA 0.004 53.127 53.050 0.122 0.000 0.906 203 N CB 0.053 38.633 38.487 0.154 0.000 0.968 203 N HN 0.303 nan 8.380 nan 0.000 0.445 204 N N 0.136 118.848 118.700 0.021 0.000 2.452 204 N HA 0.101 4.839 4.740 -0.003 0.000 0.266 204 N C 0.863 176.413 175.510 0.067 0.000 1.175 204 N CA 0.060 53.133 53.050 0.038 0.000 0.945 204 N CB 1.169 39.678 38.487 0.037 0.000 1.063 204 N HN 0.119 nan 8.380 nan 0.000 0.472 205 A N 2.785 125.658 122.820 0.089 0.000 2.015 205 A HA -0.113 4.206 4.320 -0.003 0.000 0.219 205 A C 1.969 179.609 177.584 0.094 0.000 1.163 205 A CA 1.559 53.660 52.037 0.106 0.000 0.646 205 A CB -0.662 18.397 19.000 0.098 0.000 0.806 205 A HN 0.772 nan 8.150 nan 0.000 0.448 206 T N 0.412 115.018 114.554 0.085 0.000 2.821 206 T HA -0.084 4.264 4.350 -0.003 0.000 0.267 206 T C 1.724 176.394 174.700 -0.049 0.000 1.046 206 T CA 1.334 63.457 62.100 0.038 0.000 1.139 206 T CB -0.215 68.689 68.868 0.060 0.000 0.871 206 T HN 0.322 nan 8.240 nan 0.000 0.454 207 I N 1.649 122.160 120.570 -0.098 0.000 2.286 207 I HA -0.064 4.104 4.170 -0.003 0.000 0.245 207 I C 2.375 178.501 176.117 0.016 0.000 1.104 207 I CA 1.169 62.329 61.300 -0.233 0.000 1.397 207 I CB -1.275 36.530 38.000 -0.325 0.000 1.072 207 I HN 0.259 nan 8.210 nan 0.000 0.417 208 D N 1.249 121.736 120.400 0.144 0.000 2.106 208 D HA -0.292 4.347 4.640 -0.003 0.000 0.191 208 D C 2.181 178.699 176.300 0.364 0.000 0.997 208 D CA 1.872 56.112 54.000 0.399 0.000 0.834 208 D CB 0.092 41.123 40.800 0.386 0.000 0.956 208 D HN 0.082 nan 8.370 nan 0.000 0.448 209 K N -0.842 119.682 120.400 0.207 0.000 2.057 209 K HA -0.208 4.110 4.320 -0.003 0.000 0.207 209 K C 2.197 178.858 176.600 0.102 0.000 1.049 209 K CA 1.342 57.717 56.287 0.146 0.000 0.931 209 K CB -1.017 31.541 32.500 0.096 0.000 0.714 209 K HN 0.379 nan 8.250 nan 0.000 0.440 210 Y N -0.133 120.101 120.300 -0.110 0.000 2.128 210 Y HA -0.220 4.328 4.550 -0.002 0.000 0.284 210 Y C 1.556 177.295 175.900 -0.270 0.000 1.154 210 Y CA 2.200 60.135 58.100 -0.275 0.000 1.149 210 Y CB -0.314 37.819 38.460 -0.546 0.000 0.976 210 Y HN 0.087 nan 8.280 nan 0.000 0.505 211 F N 0.370 120.420 119.950 0.168 0.000 2.325 211 F HA -0.058 4.467 4.527 -0.003 0.000 0.299 211 F C 2.186 178.235 175.800 0.415 0.000 1.090 211 F CA 1.320 59.447 58.000 0.211 0.000 1.392 211 F CB -0.430 38.651 39.000 0.134 0.000 1.053 211 F HN -0.040 nan 8.300 nan 0.000 0.521 212 K N -0.025 120.676 120.400 0.502 0.000 2.057 212 K HA -0.151 4.167 4.320 -0.003 0.000 0.206 212 K C 1.593 178.256 176.600 0.105 0.000 1.050 212 K CA 1.565 58.048 56.287 0.327 0.000 0.935 212 K CB -0.219 32.407 32.500 0.209 0.000 0.715 212 K HN 0.119 nan 8.250 nan 0.000 0.439 213 D N 0.597 121.010 120.400 0.022 0.000 2.117 213 D HA -0.091 4.548 4.640 -0.003 0.000 0.198 213 D C 1.850 178.099 176.300 -0.086 0.000 0.982 213 D CA 1.209 55.161 54.000 -0.081 0.000 0.828 213 D CB -0.186 40.534 40.800 -0.134 0.000 0.967 213 D HN 0.175 nan 8.370 nan 0.000 0.464 214 A N 0.730 123.496 122.820 -0.089 0.000 1.902 214 A HA -0.142 4.176 4.320 -0.003 0.000 0.217 214 A C 2.197 179.955 177.584 0.290 0.000 1.181 214 A CA 0.891 52.968 52.037 0.067 0.000 0.623 214 A CB -0.602 18.470 19.000 0.121 0.000 0.818 214 A HN 0.192 nan 8.150 nan 0.000 0.443 215 I N -0.626 120.093 120.570 0.249 0.000 2.315 215 I HA -0.115 4.054 4.170 -0.003 0.000 0.248 215 I C 2.055 178.185 176.117 0.021 0.000 1.117 215 I CA 1.574 62.892 61.300 0.030 0.000 1.404 215 I CB -0.336 37.595 38.000 -0.116 0.000 1.071 215 I HN 0.190 nan 8.210 nan 0.000 0.419 216 K N 0.161 120.535 120.400 -0.043 0.000 2.113 216 K HA -0.198 4.121 4.320 -0.003 0.000 0.208 216 K C 2.132 178.706 176.600 -0.043 0.000 1.047 216 K CA 1.651 57.876 56.287 -0.102 0.000 0.928 216 K CB -0.514 31.826 32.500 -0.266 0.000 0.716 216 K HN 0.446 nan 8.250 nan 0.000 0.446 217 L N -1.004 120.158 121.223 -0.103 0.000 2.027 217 L HA -0.154 4.184 4.340 -0.003 0.000 0.206 217 L C 1.688 178.404 176.870 -0.257 0.000 1.074 217 L CA 1.438 56.139 54.840 -0.231 0.000 0.745 217 L CB -0.183 41.647 42.059 -0.381 0.000 0.898 217 L HN 0.330 nan 8.230 nan 0.000 0.433 218 W N -0.136 121.178 121.300 0.024 0.000 2.388 218 W HA -0.097 4.561 4.660 -0.003 0.000 0.294 218 W C 2.333 178.899 176.519 0.077 0.000 1.212 218 W CA 0.572 57.941 57.345 0.040 0.000 1.271 218 W CB -0.221 29.246 29.460 0.011 0.000 1.126 218 W HN 0.088 nan 8.180 nan 0.000 0.535 219 L N -0.149 121.202 121.223 0.214 0.000 2.093 219 L HA -0.202 4.137 4.340 -0.003 0.000 0.208 219 L C 1.885 178.846 176.870 0.151 0.000 1.085 219 L CA 1.121 56.063 54.840 0.170 0.000 0.755 219 L CB -0.762 41.388 42.059 0.152 0.000 0.904 219 L HN -0.105 nan 8.230 nan 0.000 0.435 220 D N -0.193 120.288 120.400 0.135 0.000 2.219 220 D HA -0.139 4.500 4.640 -0.003 0.000 0.205 220 D C 2.157 178.507 176.300 0.084 0.000 0.970 220 D CA 1.115 55.175 54.000 0.101 0.000 0.851 220 D CB -0.024 40.818 40.800 0.071 0.000 0.943 220 D HN 0.311 nan 8.370 nan 0.000 0.488 221 M N -0.806 118.858 119.600 0.106 0.000 2.659 221 M HA 0.094 4.572 4.480 -0.003 0.000 0.243 221 M C 1.018 177.421 176.300 0.172 0.000 1.111 221 M CA 0.673 56.062 55.300 0.149 0.000 1.070 221 M CB 0.432 33.168 32.600 0.227 0.000 1.525 221 M HN 0.143 nan 8.290 nan 0.000 0.517 222 G N 0.900 109.804 108.800 0.173 0.000 2.163 222 G HA2 -0.192 3.766 3.960 -0.003 0.000 0.213 222 G HA3 -0.192 3.766 3.960 -0.003 0.000 0.213 222 G C 0.120 175.155 174.900 0.225 0.000 0.991 222 G CA 0.055 45.263 45.100 0.181 0.000 0.653 222 G HN 0.468 nan 8.290 nan 0.000 0.518 223 V N -1.523 118.544 119.914 0.255 0.000 2.872 223 V HA 0.484 4.602 4.120 -0.003 0.000 0.307 223 V C 0.865 177.103 176.094 0.241 0.000 1.072 223 V CA 0.856 63.311 62.300 0.259 0.000 1.148 223 V CB 1.243 33.243 31.823 0.295 0.000 0.954 223 V HN 0.149 nan 8.190 nan 0.000 0.490 224 D N 2.851 123.419 120.400 0.279 0.000 2.389 224 D HA 0.330 4.968 4.640 -0.003 0.000 0.206 224 D C 0.694 177.233 176.300 0.398 0.000 1.055 224 D CA 1.244 55.442 54.000 0.330 0.000 0.856 224 D CB 1.256 42.277 40.800 0.368 0.000 0.957 224 D HN 0.975 nan 8.370 nan 0.000 0.509 225 G N 0.381 109.336 108.800 0.258 0.000 2.601 225 G HA2 0.555 4.513 3.960 -0.003 0.000 0.291 225 G HA3 0.555 4.513 3.960 -0.003 0.000 0.291 225 G C -1.781 173.109 174.900 -0.017 0.000 1.456 225 G CA -0.691 44.472 45.100 0.104 0.000 0.804 225 G HN -0.004 nan 8.290 nan 0.000 0.499 226 I N 0.579 121.047 120.570 -0.170 0.000 2.569 226 I HA 0.508 4.676 4.170 -0.003 0.000 0.290 226 I C -0.376 175.377 176.117 -0.606 0.000 1.088 226 I CA -0.957 60.193 61.300 -0.252 0.000 1.047 226 I CB 2.417 40.316 38.000 -0.169 0.000 1.237 226 I HN 0.267 nan 8.210 nan 0.000 0.421 227 R N 5.931 126.022 120.500 -0.682 0.000 2.310 227 R HA 0.527 4.865 4.340 -0.003 0.000 0.324 227 R C -1.573 174.522 176.300 -0.342 0.000 0.955 227 R CA -0.580 54.890 56.100 -1.050 0.000 0.830 227 R CB 1.491 30.984 30.300 -1.345 0.000 1.154 227 R HN 0.440 nan 8.270 nan 0.000 0.458 228 V N 4.309 124.091 119.914 -0.220 0.000 2.432 228 V HA 0.085 4.203 4.120 -0.003 0.000 0.275 228 V C 0.465 176.585 176.094 0.044 0.000 1.043 228 V CA -0.689 61.633 62.300 0.037 0.000 0.925 228 V CB 1.296 33.208 31.823 0.149 0.000 0.985 228 V HN 0.664 nan 8.190 nan 0.000 0.466 229 D N 4.098 124.544 120.400 0.076 0.000 2.345 229 D HA 0.486 5.124 4.640 -0.003 0.000 0.247 229 D C 0.738 177.075 176.300 0.061 0.000 1.108 229 D CA 0.666 54.709 54.000 0.072 0.000 0.894 229 D CB 1.003 41.839 40.800 0.061 0.000 1.203 229 D HN 1.105 nan 8.370 nan 0.000 0.430 230 A N 2.415 125.282 122.820 0.079 0.000 2.739 230 A HA -0.174 4.144 4.320 -0.003 0.000 0.296 230 A C 1.463 179.043 177.584 -0.006 0.000 1.488 230 A CA 0.945 53.045 52.037 0.105 0.000 0.746 230 A CB -2.435 16.667 19.000 0.170 0.000 1.047 230 A HN 1.118 nan 8.150 nan 0.000 0.477 231 V N -2.050 117.815 119.914 -0.083 0.000 2.759 231 V HA -0.112 4.006 4.120 -0.003 0.000 0.256 231 V C 1.887 177.709 176.094 -0.453 0.000 1.080 231 V CA 2.471 64.665 62.300 -0.177 0.000 1.101 231 V CB -0.614 31.094 31.823 -0.192 0.000 0.698 231 V HN 0.665 nan 8.190 nan 0.000 0.477 232 K N -0.807 119.148 120.400 -0.742 0.000 2.439 232 K HA -0.095 4.224 4.320 -0.003 0.000 0.197 232 K C 1.458 177.454 176.600 -1.007 0.000 1.041 232 K CA 1.013 56.504 56.287 -1.327 0.000 0.970 232 K CB -0.100 31.305 32.500 -1.825 0.000 0.773 232 K HN 0.678 nan 8.250 nan 0.000 0.479 233 H N -0.980 117.918 119.070 -0.286 0.000 2.672 233 H HA 0.254 4.809 4.556 -0.003 0.000 0.277 233 H C -0.195 175.049 175.328 -0.140 0.000 1.074 233 H CA 0.037 55.969 56.048 -0.193 0.000 1.173 233 H CB 0.389 30.077 29.762 -0.123 0.000 1.558 233 H HN 0.115 nan 8.280 nan 0.000 0.539 234 M N 0.841 120.409 119.600 -0.053 0.000 2.591 234 M HA 0.368 4.846 4.480 -0.003 0.000 0.306 234 M C -2.592 173.742 176.300 0.056 0.000 1.190 234 M CA -1.894 53.408 55.300 0.003 0.000 0.889 234 M CB 2.781 35.397 32.600 0.027 0.000 1.728 234 M HN -0.207 nan 8.290 nan 0.000 0.458 235 P HA 0.050 nan 4.420 nan 0.000 0.267 235 P C 0.402 177.867 177.300 0.275 0.000 1.205 235 P CA -0.045 63.160 63.100 0.174 0.000 0.765 235 P CB 0.510 32.348 31.700 0.230 0.000 0.828 236 L N 3.708 125.117 121.223 0.309 0.000 2.042 236 L HA -0.154 4.184 4.340 -0.003 0.000 0.210 236 L C 2.189 179.165 176.870 0.177 0.000 1.076 236 L CA 2.374 57.410 54.840 0.326 0.000 0.749 236 L CB -1.026 41.227 42.059 0.322 0.000 0.893 236 L HN 0.521 nan 8.230 nan 0.000 0.432 237 G N -0.787 108.111 108.800 0.164 0.000 2.440 237 G HA2 -0.373 3.585 3.960 -0.003 0.000 0.218 237 G HA3 -0.373 3.585 3.960 -0.003 0.000 0.218 237 G C 1.208 176.194 174.900 0.144 0.000 1.154 237 G CA 0.798 45.984 45.100 0.144 0.000 0.767 237 G HN 0.681 nan 8.290 nan 0.000 0.552 238 W N 1.272 122.618 121.300 0.078 0.000 2.381 238 W HA -0.017 4.642 4.660 -0.002 0.000 0.301 238 W C 2.813 179.362 176.519 0.050 0.000 1.205 238 W CA 1.567 58.942 57.345 0.051 0.000 1.285 238 W CB -0.090 29.359 29.460 -0.019 0.000 1.133 238 W HN 0.285 nan 8.180 nan 0.000 0.521 239 Q N 0.239 120.011 119.800 -0.047 0.000 2.124 239 Q HA -0.251 4.087 4.340 -0.003 0.000 0.202 239 Q C 2.200 178.106 176.000 -0.156 0.000 0.977 239 Q CA 1.840 57.560 55.803 -0.139 0.000 0.850 239 Q CB -0.464 28.392 28.738 0.196 0.000 0.901 239 Q HN 0.346 nan 8.270 nan 0.000 0.429 240 K N 0.398 120.727 120.400 -0.118 0.000 2.057 240 K HA -0.147 4.171 4.320 -0.003 0.000 0.207 240 K C 2.299 178.801 176.600 -0.163 0.000 1.049 240 K CA 1.456 57.665 56.287 -0.131 0.000 0.931 240 K CB -0.142 32.311 32.500 -0.079 0.000 0.714 240 K HN 0.021 nan 8.250 nan 0.000 0.440 241 S N -0.138 115.455 115.700 -0.179 0.000 2.368 241 S HA -0.168 4.300 4.470 -0.003 0.000 0.224 241 S C 1.636 176.089 174.600 -0.245 0.000 1.029 241 S CA 1.153 59.249 58.200 -0.173 0.000 0.988 241 S CB -0.432 62.692 63.200 -0.127 0.000 0.838 241 S HN 0.615 nan 8.310 nan 0.000 0.462 242 W N 1.671 122.560 121.300 -0.685 0.000 2.355 242 W HA -0.029 4.629 4.660 -0.002 0.000 0.309 242 W C 1.955 178.186 176.519 -0.480 0.000 1.206 242 W CA 1.368 58.312 57.345 -0.668 0.000 1.284 242 W CB -0.405 28.359 29.460 -1.160 0.000 1.145 242 W HN 0.228 nan 8.180 nan 0.000 0.502 243 M N 0.658 119.979 119.600 -0.466 0.000 2.149 243 M HA -0.186 4.292 4.480 -0.003 0.000 0.261 243 M C 2.414 178.279 176.300 -0.724 0.000 1.064 243 M CA 2.164 57.028 55.300 -0.727 0.000 1.102 243 M CB -2.146 30.130 32.600 -0.540 0.000 1.369 243 M HN 0.278 nan 8.290 nan 0.000 0.408 244 S N -0.112 115.367 115.700 -0.369 0.000 2.402 244 S HA -0.097 4.372 4.470 -0.003 0.000 0.229 244 S C 2.026 176.511 174.600 -0.191 0.000 1.021 244 S CA 1.512 59.597 58.200 -0.191 0.000 0.974 244 S CB -0.697 62.453 63.200 -0.083 0.000 0.800 244 S HN 0.576 nan 8.310 nan 0.000 0.484 245 S N 1.817 117.368 115.700 -0.248 0.000 2.406 245 S HA 0.082 4.551 4.470 -0.003 0.000 0.228 245 S C 1.828 176.295 174.600 -0.222 0.000 1.020 245 S CA 0.773 58.860 58.200 -0.188 0.000 0.965 245 S CB -0.848 62.254 63.200 -0.162 0.000 0.798 245 S HN 0.568 nan 8.310 nan 0.000 0.488 246 I N 0.217 120.525 120.570 -0.437 0.000 2.163 246 I HA -0.149 4.019 4.170 -0.003 0.000 0.240 246 I C 2.281 178.321 176.117 -0.128 0.000 1.081 246 I CA 1.407 62.474 61.300 -0.388 0.000 1.353 246 I CB -0.461 37.102 38.000 -0.729 0.000 1.054 246 I HN 0.224 nan 8.210 nan 0.000 0.407 247 Y N 0.737 120.958 120.300 -0.132 0.000 2.352 247 Y HA -0.104 4.444 4.550 -0.003 0.000 0.292 247 Y C 2.565 178.442 175.900 -0.037 0.000 1.136 247 Y CA 0.542 58.599 58.100 -0.072 0.000 1.227 247 Y CB -1.219 37.200 38.460 -0.069 0.000 0.991 247 Y HN 0.133 nan 8.280 nan 0.000 0.545 248 A N -1.235 121.653 122.820 0.112 0.000 2.014 248 A HA -0.137 4.181 4.320 -0.003 0.000 0.218 248 A C 2.137 179.774 177.584 0.088 0.000 1.163 248 A CA 1.425 53.507 52.037 0.075 0.000 0.652 248 A CB -0.697 18.329 19.000 0.043 0.000 0.808 248 A HN 0.584 nan 8.150 nan 0.000 0.449 249 H N -0.802 118.257 119.070 -0.018 0.000 2.283 249 H HA 0.269 4.824 4.556 -0.003 0.000 0.320 249 H C -0.266 175.061 175.328 -0.002 0.000 1.074 249 H CA 0.817 56.852 56.048 -0.022 0.000 1.476 249 H CB 0.238 29.967 29.762 -0.055 0.000 1.465 249 H HN 0.244 nan 8.280 nan 0.000 0.573 250 K N 1.924 122.237 120.400 -0.144 0.000 2.723 250 K HA 0.266 4.584 4.320 -0.003 0.000 0.229 250 K C -2.810 173.805 176.600 0.025 0.000 1.022 250 K CA -1.920 54.276 56.287 -0.151 0.000 1.045 250 K CB 2.576 34.965 32.500 -0.184 0.000 1.227 250 K HN 0.272 nan 8.250 nan 0.000 0.516 251 P HA -0.008 nan 4.420 nan 0.000 0.267 251 P C -0.421 176.982 177.300 0.170 0.000 1.209 251 P CA -0.191 63.029 63.100 0.200 0.000 0.763 251 P CB 0.926 32.685 31.700 0.098 0.000 0.816 252 V N 1.268 121.321 119.914 0.233 0.000 3.078 252 V HA 0.512 4.630 4.120 -0.003 0.000 0.311 252 V C -0.478 175.795 176.094 0.298 0.000 1.138 252 V CA -1.451 60.990 62.300 0.235 0.000 1.007 252 V CB 1.808 33.736 31.823 0.175 0.000 1.045 252 V HN 0.299 nan 8.190 nan 0.000 0.432 253 F N 2.454 122.502 119.950 0.164 0.000 2.571 253 F HA 0.560 5.086 4.527 -0.003 0.000 0.384 253 F C 0.424 176.256 175.800 0.053 0.000 1.058 253 F CA 0.783 58.841 58.000 0.096 0.000 1.200 253 F CB 0.183 39.176 39.000 -0.011 0.000 1.077 253 F HN 0.765 nan 8.300 nan 0.000 0.558 254 T N 8.211 122.533 114.554 -0.386 0.000 2.824 254 T HA 0.617 4.966 4.350 -0.003 0.000 0.282 254 T C -1.051 173.418 174.700 -0.385 0.000 0.993 254 T CA -0.286 61.606 62.100 -0.346 0.000 0.967 254 T CB 0.941 69.702 68.868 -0.178 0.000 0.960 254 T HN 0.400 nan 8.240 nan 0.000 0.441 255 F N -0.345 119.295 119.950 -0.518 0.000 2.613 255 F HA 0.947 5.473 4.527 -0.003 0.000 0.314 255 F C 0.029 175.753 175.800 -0.127 0.000 1.075 255 F CA -1.549 56.240 58.000 -0.352 0.000 0.945 255 F CB 0.996 39.732 39.000 -0.440 0.000 1.310 255 F HN 0.732 nan 8.300 nan 0.000 0.467 256 G N -0.390 108.498 108.800 0.147 0.000 2.714 256 G HA2 0.533 4.491 3.960 -0.003 0.000 0.292 256 G HA3 0.533 4.491 3.960 -0.003 0.000 0.292 256 G C -2.057 172.988 174.900 0.241 0.000 1.308 256 G CA -0.910 44.271 45.100 0.136 0.000 0.964 256 G HN 0.889 nan 8.290 nan 0.000 0.484 257 E N 0.255 120.593 120.200 0.229 0.000 2.092 257 E HA 0.256 4.604 4.350 -0.003 0.000 0.271 257 E C -1.383 175.399 176.600 0.302 0.000 0.919 257 E CA -0.880 55.740 56.400 0.367 0.000 0.760 257 E CB 1.091 31.010 29.700 0.365 0.000 1.106 257 E HN 0.448 nan 8.360 nan 0.000 0.408 258 W N 8.282 129.674 121.300 0.153 0.000 2.466 258 W HA 0.257 4.916 4.660 -0.002 0.000 0.303 258 W C -1.689 174.782 176.519 -0.081 0.000 0.999 258 W CA -1.449 55.887 57.345 -0.015 0.000 1.437 258 W CB 0.283 29.698 29.460 -0.075 0.000 1.274 258 W HN 0.485 nan 8.180 nan 0.000 0.417 259 F N 5.948 125.755 119.950 -0.238 0.000 2.572 259 F HA 0.323 4.849 4.527 -0.002 0.000 0.370 259 F C -0.581 175.005 175.800 -0.356 0.000 1.103 259 F CA 0.837 58.388 58.000 -0.748 0.000 1.286 259 F CB 0.606 39.282 39.000 -0.541 0.000 1.105 259 F HN 0.192 nan 8.300 nan 0.000 0.583 260 L N 4.783 125.266 121.223 -1.233 0.000 2.409 260 L HA 0.407 4.745 4.340 -0.003 0.000 0.262 260 L C 0.661 177.038 176.870 -0.821 0.000 0.992 260 L CA -0.625 53.909 54.840 -0.510 0.000 0.817 260 L CB 2.173 44.184 42.059 -0.080 0.000 1.350 260 L HN 0.748 nan 8.230 nan 0.000 0.411 261 G N -0.034 108.588 108.800 -0.296 0.000 3.233 261 G HA2 0.278 4.236 3.960 -0.003 0.000 0.234 261 G HA3 0.278 4.236 3.960 -0.003 0.000 0.234 261 G C 0.204 175.102 174.900 -0.004 0.000 1.137 261 G CA 0.586 45.627 45.100 -0.097 0.000 0.763 261 G HN 0.574 nan 8.290 nan 0.000 0.549 262 S N -2.213 113.486 115.700 -0.001 0.000 2.752 262 S HA 0.636 5.104 4.470 -0.003 0.000 0.284 262 S C 0.628 175.252 174.600 0.041 0.000 1.189 262 S CA 0.220 58.437 58.200 0.028 0.000 0.835 262 S CB 1.190 64.408 63.200 0.030 0.000 1.192 262 S HN 0.536 nan 8.310 nan 0.000 0.506 263 A N -0.111 122.730 122.820 0.035 0.000 2.251 263 A HA 0.706 5.025 4.320 -0.003 0.000 0.209 263 A C 1.140 178.749 177.584 0.041 0.000 1.187 263 A CA 0.433 52.497 52.037 0.044 0.000 0.823 263 A CB -1.222 17.789 19.000 0.018 0.000 0.846 263 A HN 1.450 nan 8.150 nan 0.000 0.486 264 A N 0.283 123.122 122.820 0.031 0.000 2.407 264 A HA 0.499 4.817 4.320 -0.003 0.000 0.248 264 A C 0.726 178.321 177.584 0.019 0.000 1.082 264 A CA -0.151 51.898 52.037 0.021 0.000 0.785 264 A CB -0.032 18.980 19.000 0.020 0.000 1.020 264 A HN 0.375 nan 8.150 nan 0.000 0.489 265 S N 0.523 116.219 115.700 -0.007 0.000 2.558 265 S HA 0.207 4.676 4.470 -0.003 0.000 0.288 265 S C -0.131 174.459 174.600 -0.017 0.000 1.318 265 S CA 0.356 58.532 58.200 -0.040 0.000 1.056 265 S CB 0.339 63.500 63.200 -0.066 0.000 0.853 265 S HN 0.742 nan 8.310 nan 0.000 0.505 266 D N 0.238 120.620 120.400 -0.029 0.000 2.593 266 D HA 0.578 5.217 4.640 -0.003 0.000 0.251 266 D C 0.551 176.828 176.300 -0.039 0.000 1.140 266 D CA -0.517 53.483 54.000 0.000 0.000 0.855 266 D CB 0.977 41.798 40.800 0.036 0.000 1.267 266 D HN 0.378 nan 8.370 nan 0.000 0.532 267 A N 3.526 126.343 122.820 -0.005 0.000 1.933 267 A HA -0.171 4.147 4.320 -0.003 0.000 0.218 267 A C 1.667 179.244 177.584 -0.011 0.000 1.175 267 A CA 1.390 53.422 52.037 -0.009 0.000 0.628 267 A CB -0.304 18.714 19.000 0.030 0.000 0.814 267 A HN 0.705 nan 8.150 nan 0.000 0.444 268 D N -0.355 120.063 120.400 0.031 0.000 2.144 268 D HA -0.146 4.493 4.640 -0.003 0.000 0.200 268 D C 1.852 177.930 176.300 -0.368 0.000 0.978 268 D CA 1.147 55.169 54.000 0.037 0.000 0.833 268 D CB -0.374 40.621 40.800 0.326 0.000 0.961 268 D HN 0.592 nan 8.370 nan 0.000 0.470 269 N N 0.697 119.046 118.700 -0.585 0.000 2.171 269 N HA -0.114 4.624 4.740 -0.003 0.000 0.184 269 N C 1.447 176.766 175.510 -0.318 0.000 1.021 269 N CA 1.240 53.692 53.050 -0.998 0.000 0.854 269 N CB 0.053 38.107 38.487 -0.722 0.000 0.994 269 N HN -0.001 nan 8.380 nan 0.000 0.426 270 T N 1.187 115.648 114.554 -0.155 0.000 2.708 270 T HA -0.092 4.257 4.350 -0.003 0.000 0.266 270 T C 1.158 175.859 174.700 0.003 0.000 1.037 270 T CA 1.239 63.295 62.100 -0.074 0.000 1.146 270 T CB -0.353 68.405 68.868 -0.182 0.000 0.865 270 T HN 0.238 nan 8.240 nan 0.000 0.435 271 D N 0.378 120.765 120.400 -0.020 0.000 2.123 271 D HA -0.049 4.590 4.640 -0.003 0.000 0.196 271 D C 1.688 178.014 176.300 0.044 0.000 0.992 271 D CA 0.711 54.726 54.000 0.024 0.000 0.833 271 D CB -0.434 40.398 40.800 0.053 0.000 0.954 271 D HN 0.318 nan 8.370 nan 0.000 0.455 272 F N 1.480 121.373 119.950 -0.096 0.000 2.102 272 F HA -0.177 4.348 4.527 -0.003 0.000 0.298 272 F C 2.255 178.069 175.800 0.023 0.000 1.105 272 F CA 1.651 59.634 58.000 -0.027 0.000 1.239 272 F CB -0.164 38.752 39.000 -0.140 0.000 0.991 272 F HN -0.059 nan 8.300 nan 0.000 0.474 273 A N 0.044 122.978 122.820 0.190 0.000 1.972 273 A HA -0.188 4.131 4.320 -0.003 0.000 0.219 273 A C 1.911 179.540 177.584 0.075 0.000 1.169 273 A CA 1.895 54.032 52.037 0.166 0.000 0.635 273 A CB -0.725 18.431 19.000 0.261 0.000 0.810 273 A HN 0.494 nan 8.150 nan 0.000 0.446 274 N N -0.577 118.164 118.700 0.068 0.000 2.376 274 N HA 0.006 4.744 4.740 -0.003 0.000 0.177 274 N C 1.238 176.731 175.510 -0.029 0.000 1.024 274 N CA 1.079 54.148 53.050 0.033 0.000 0.893 274 N CB -0.004 38.508 38.487 0.041 0.000 0.980 274 N HN 0.582 nan 8.380 nan 0.000 0.439 275 K N -0.438 119.914 120.400 -0.081 0.000 2.425 275 K HA 0.174 4.493 4.320 -0.003 0.000 0.201 275 K C 1.622 178.116 176.600 -0.177 0.000 1.128 275 K CA 0.140 56.369 56.287 -0.097 0.000 1.000 275 K CB 0.568 33.034 32.500 -0.056 0.000 0.961 275 K HN 0.054 nan 8.250 nan 0.000 0.555 276 S N -0.049 115.442 115.700 -0.348 0.000 2.461 276 S HA 0.053 4.522 4.470 -0.003 0.000 0.228 276 S C 1.630 176.089 174.600 -0.235 0.000 1.005 276 S CA 0.810 58.736 58.200 -0.457 0.000 0.942 276 S CB 0.050 62.579 63.200 -1.119 0.000 0.776 276 S HN 0.395 nan 8.310 nan 0.000 0.514 277 G N 1.272 109.988 108.800 -0.140 0.000 2.194 277 G HA2 -0.228 3.730 3.960 -0.003 0.000 0.236 277 G HA3 -0.228 3.730 3.960 -0.003 0.000 0.236 277 G C -0.050 174.884 174.900 0.057 0.000 0.987 277 G CA 0.226 45.325 45.100 -0.002 0.000 0.635 277 G HN 0.922 nan 8.290 nan 0.000 0.520 278 M N -0.070 119.522 119.600 -0.014 0.000 2.658 278 M HA 0.844 5.322 4.480 -0.003 0.000 0.295 278 M C 0.351 176.683 176.300 0.053 0.000 1.248 278 M CA -0.264 55.058 55.300 0.037 0.000 0.843 278 M CB 1.977 34.615 32.600 0.063 0.000 1.749 278 M HN 0.543 nan 8.290 nan 0.000 0.464 279 S N 0.892 116.609 115.700 0.030 0.000 2.647 279 S HA 0.869 5.338 4.470 -0.003 0.000 0.284 279 S C -0.633 174.047 174.600 0.134 0.000 1.134 279 S CA -0.698 57.534 58.200 0.054 0.000 1.027 279 S CB 1.087 64.302 63.200 0.025 0.000 1.180 279 S HN 0.623 nan 8.310 nan 0.000 0.521 280 L N -0.120 121.164 121.223 0.102 0.000 2.376 280 L HA 0.538 4.877 4.340 -0.003 0.000 0.258 280 L C -0.744 176.231 176.870 0.176 0.000 1.013 280 L CA -0.870 54.089 54.840 0.198 0.000 0.822 280 L CB 1.530 43.700 42.059 0.185 0.000 1.388 280 L HN 0.759 nan 8.230 nan 0.000 0.413 281 L N 2.018 123.428 121.223 0.311 0.000 2.455 281 L HA 0.104 4.443 4.340 -0.003 0.000 0.272 281 L C 0.047 177.089 176.870 0.286 0.000 1.174 281 L CA 0.016 55.033 54.840 0.295 0.000 0.869 281 L CB 0.191 42.407 42.059 0.263 0.000 1.130 281 L HN 0.501 nan 8.230 nan 0.000 0.474 282 D N 3.056 123.569 120.400 0.189 0.000 2.517 282 D HA 0.079 4.717 4.640 -0.003 0.000 0.220 282 D C 0.725 177.036 176.300 0.018 0.000 1.158 282 D CA -0.052 54.001 54.000 0.088 0.000 0.992 282 D CB 0.308 41.074 40.800 -0.057 0.000 1.058 282 D HN 0.261 nan 8.370 nan 0.000 0.516 283 F N 1.448 121.516 119.950 0.197 0.000 2.407 283 F HA 0.028 4.554 4.527 -0.003 0.000 0.299 283 F C 2.369 178.191 175.800 0.037 0.000 1.097 283 F CA 0.486 58.550 58.000 0.106 0.000 1.422 283 F CB 0.140 39.148 39.000 0.014 0.000 1.067 283 F HN 0.213 nan 8.300 nan 0.000 0.539 284 R N -0.773 119.882 120.500 0.257 0.000 2.075 284 R HA -0.157 4.182 4.340 -0.003 0.000 0.232 284 R C 2.191 178.592 176.300 0.168 0.000 1.126 284 R CA 1.520 57.733 56.100 0.189 0.000 0.963 284 R CB -0.963 29.463 30.300 0.211 0.000 0.858 284 R HN 0.288 nan 8.270 nan 0.000 0.435 285 F N 2.803 122.762 119.950 0.015 0.000 2.102 285 F HA -0.225 4.301 4.527 -0.003 0.000 0.298 285 F C 2.244 178.001 175.800 -0.072 0.000 1.105 285 F CA 1.552 59.550 58.000 -0.004 0.000 1.239 285 F CB -0.501 38.481 39.000 -0.030 0.000 0.991 285 F HN 0.006 nan 8.300 nan 0.000 0.474 286 N N -0.019 118.717 118.700 0.060 0.000 2.069 286 N HA -0.209 4.529 4.740 -0.003 0.000 0.191 286 N C 1.843 177.345 175.510 -0.014 0.000 1.031 286 N CA 1.926 54.892 53.050 -0.139 0.000 0.852 286 N CB -0.229 37.887 38.487 -0.619 0.000 1.018 286 N HN 0.361 nan 8.380 nan 0.000 0.423 287 S N 0.750 116.466 115.700 0.027 0.000 2.368 287 S HA -0.057 4.412 4.470 -0.003 0.000 0.225 287 S C 2.209 176.804 174.600 -0.009 0.000 1.030 287 S CA 1.162 59.383 58.200 0.036 0.000 0.999 287 S CB -0.430 62.797 63.200 0.044 0.000 0.844 287 S HN 0.590 nan 8.310 nan 0.000 0.459 288 A N 1.274 124.061 122.820 -0.055 0.000 1.902 288 A HA -0.033 4.285 4.320 -0.003 0.000 0.217 288 A C 2.369 179.866 177.584 -0.145 0.000 1.181 288 A CA 1.476 53.441 52.037 -0.120 0.000 0.623 288 A CB -0.966 17.936 19.000 -0.162 0.000 0.818 288 A HN 0.332 nan 8.150 nan 0.000 0.443 289 V N -0.027 119.805 119.914 -0.137 0.000 2.343 289 V HA -0.275 3.843 4.120 -0.003 0.000 0.247 289 V C 2.675 178.904 176.094 0.226 0.000 1.051 289 V CA 2.346 64.664 62.300 0.031 0.000 1.036 289 V CB -0.768 31.077 31.823 0.036 0.000 0.654 289 V HN 0.537 nan 8.190 nan 0.000 0.451 290 R N -0.083 120.516 120.500 0.164 0.000 2.090 290 R HA -0.086 4.253 4.340 -0.003 0.000 0.228 290 R C 2.207 178.521 176.300 0.022 0.000 1.110 290 R CA 1.351 57.533 56.100 0.136 0.000 0.973 290 R CB -0.370 29.976 30.300 0.076 0.000 0.869 290 R HN 0.506 nan 8.270 nan 0.000 0.440 291 N N 0.189 118.879 118.700 -0.015 0.000 2.120 291 N HA -0.116 4.623 4.740 -0.003 0.000 0.188 291 N C 1.789 177.235 175.510 -0.107 0.000 1.024 291 N CA 1.100 54.114 53.050 -0.058 0.000 0.852 291 N CB -0.180 38.267 38.487 -0.067 0.000 1.003 291 N HN 0.014 nan 8.380 nan 0.000 0.424 292 V N -0.120 119.685 119.914 -0.182 0.000 2.346 292 V HA -0.065 4.053 4.120 -0.003 0.000 0.244 292 V C 1.605 177.478 176.094 -0.370 0.000 1.037 292 V CA 1.293 63.371 62.300 -0.370 0.000 1.029 292 V CB -0.445 30.988 31.823 -0.650 0.000 0.663 292 V HN 0.091 nan 8.190 nan 0.000 0.454 293 F N -0.551 119.405 119.950 0.009 0.000 2.446 293 F HA 0.204 4.729 4.527 -0.003 0.000 0.292 293 F C 2.418 178.300 175.800 0.136 0.000 1.096 293 F CA 0.902 58.973 58.000 0.117 0.000 1.438 293 F CB -0.129 39.016 39.000 0.243 0.000 1.107 293 F HN -0.097 nan 8.300 nan 0.000 0.546 294 R N 0.156 120.744 120.500 0.147 0.000 2.072 294 R HA 0.007 4.346 4.340 -0.003 0.000 0.214 294 R C 0.993 177.221 176.300 -0.119 0.000 1.168 294 R CA 1.202 57.184 56.100 -0.196 0.000 1.020 294 R CB -0.021 29.849 30.300 -0.717 0.000 0.914 294 R HN 0.043 nan 8.270 nan 0.000 0.449 295 D N 0.400 120.743 120.400 -0.096 0.000 2.360 295 D HA 0.051 4.689 4.640 -0.003 0.000 0.210 295 D C -0.261 176.009 176.300 -0.050 0.000 1.047 295 D CA 0.128 54.084 54.000 -0.072 0.000 0.854 295 D CB 0.257 41.018 40.800 -0.065 0.000 0.936 295 D HN 0.226 nan 8.370 nan 0.000 0.514 296 N N 0.623 119.291 118.700 -0.053 0.000 2.747 296 N HA -0.150 4.589 4.740 -0.003 0.000 0.249 296 N C 0.840 176.319 175.510 -0.052 0.000 1.107 296 N CA 1.266 54.284 53.050 -0.054 0.000 0.707 296 N CB -1.912 36.556 38.487 -0.033 0.000 1.054 296 N HN 0.382 nan 8.380 nan 0.000 0.555 297 T N -5.169 109.351 114.554 -0.056 0.000 3.044 297 T HA 0.295 4.643 4.350 -0.003 0.000 0.250 297 T C 0.704 175.372 174.700 -0.053 0.000 1.081 297 T CA 0.221 62.294 62.100 -0.045 0.000 1.040 297 T CB 0.648 69.495 68.868 -0.035 0.000 0.962 297 T HN 0.115 nan 8.240 nan 0.000 0.506 298 S N 1.921 117.574 115.700 -0.079 0.000 2.632 298 S HA 0.681 5.150 4.470 -0.003 0.000 0.289 298 S C -0.773 173.757 174.600 -0.117 0.000 1.115 298 S CA -0.997 57.150 58.200 -0.087 0.000 0.889 298 S CB 1.885 65.023 63.200 -0.104 0.000 1.116 298 S HN 0.694 nan 8.310 nan 0.000 0.486 299 N N -0.158 118.485 118.700 -0.095 0.000 2.741 299 N HA 0.391 5.130 4.740 -0.003 0.000 0.310 299 N C 0.706 176.095 175.510 -0.201 0.000 1.295 299 N CA -0.820 52.159 53.050 -0.117 0.000 0.893 299 N CB -0.092 38.388 38.487 -0.010 0.000 1.247 299 N HN 0.318 nan 8.380 nan 0.000 0.596 300 M N -0.799 118.633 119.600 -0.281 0.000 2.346 300 M HA -0.066 4.412 4.480 -0.003 0.000 0.263 300 M C 1.005 176.983 176.300 -0.536 0.000 1.064 300 M CA 1.379 56.399 55.300 -0.466 0.000 1.083 300 M CB -1.321 31.016 32.600 -0.439 0.000 1.399 300 M HN 0.538 nan 8.290 nan 0.000 0.435 301 Y N 0.204 120.361 120.300 -0.239 0.000 2.293 301 Y HA -0.086 4.463 4.550 -0.003 0.000 0.291 301 Y C 2.542 178.319 175.900 -0.205 0.000 1.137 301 Y CA 1.316 59.294 58.100 -0.203 0.000 1.202 301 Y CB -0.900 37.483 38.460 -0.127 0.000 0.990 301 Y HN 0.289 nan 8.280 nan 0.000 0.537 302 A N -0.571 122.206 122.820 -0.072 0.000 1.969 302 A HA -0.114 4.205 4.320 -0.003 0.000 0.218 302 A C 2.095 179.575 177.584 -0.173 0.000 1.169 302 A CA 1.111 53.089 52.037 -0.098 0.000 0.635 302 A CB -0.800 18.139 19.000 -0.102 0.000 0.810 302 A HN 0.380 nan 8.150 nan 0.000 0.445 303 L N 0.117 121.154 121.223 -0.310 0.000 2.027 303 L HA -0.138 4.201 4.340 -0.003 0.000 0.206 303 L C 2.030 178.739 176.870 -0.269 0.000 1.074 303 L CA 2.511 57.128 54.840 -0.372 0.000 0.745 303 L CB -0.629 41.060 42.059 -0.616 0.000 0.898 303 L HN 0.497 nan 8.230 nan 0.000 0.433 304 D N -2.016 118.151 120.400 -0.388 0.000 2.144 304 D HA -0.200 4.438 4.640 -0.003 0.000 0.199 304 D C 2.379 178.671 176.300 -0.014 0.000 0.984 304 D CA 1.259 55.163 54.000 -0.159 0.000 0.834 304 D CB 0.067 40.750 40.800 -0.195 0.000 0.955 304 D HN 0.296 nan 8.370 nan 0.000 0.465 305 S N -0.862 114.820 115.700 -0.030 0.000 2.383 305 S HA -0.145 4.323 4.470 -0.003 0.000 0.227 305 S C 1.896 176.505 174.600 0.015 0.000 1.026 305 S CA 1.082 59.287 58.200 0.008 0.000 0.981 305 S CB -0.397 62.805 63.200 0.003 0.000 0.818 305 S HN 0.312 nan 8.310 nan 0.000 0.472 306 M N 1.119 120.719 119.600 0.000 0.000 2.175 306 M HA -0.026 4.453 4.480 -0.003 0.000 0.264 306 M C 1.699 178.053 176.300 0.091 0.000 1.063 306 M CA 1.439 56.760 55.300 0.035 0.000 1.119 306 M CB -0.929 31.675 32.600 0.006 0.000 1.377 306 M HN 0.315 nan 8.290 nan 0.000 0.415 307 I N 1.593 122.225 120.570 0.104 0.000 2.163 307 I HA -0.326 3.843 4.170 -0.003 0.000 0.243 307 I C 2.005 178.199 176.117 0.128 0.000 1.085 307 I CA 1.371 62.763 61.300 0.154 0.000 1.347 307 I CB -1.837 36.268 38.000 0.176 0.000 1.044 307 I HN 0.362 nan 8.210 nan 0.000 0.408 308 N N 0.162 118.922 118.700 0.100 0.000 2.142 308 N HA -0.137 4.601 4.740 -0.003 0.000 0.186 308 N C 2.063 177.610 175.510 0.062 0.000 1.023 308 N CA 1.512 54.611 53.050 0.082 0.000 0.852 308 N CB -0.360 38.169 38.487 0.070 0.000 0.998 308 N HN 0.258 nan 8.380 nan 0.000 0.424 309 S N 0.431 116.160 115.700 0.049 0.000 2.368 309 S HA -0.101 4.367 4.470 -0.003 0.000 0.224 309 S C 2.041 176.648 174.600 0.012 0.000 1.029 309 S CA 1.979 60.191 58.200 0.019 0.000 0.988 309 S CB -0.528 62.678 63.200 0.010 0.000 0.838 309 S HN 0.580 nan 8.310 nan 0.000 0.462 310 T N -0.143 114.456 114.554 0.074 0.000 2.867 310 T HA 0.146 4.494 4.350 -0.003 0.000 0.268 310 T C 1.925 176.724 174.700 0.164 0.000 1.057 310 T CA 1.187 63.366 62.100 0.132 0.000 1.136 310 T CB -0.796 68.265 68.868 0.321 0.000 0.874 310 T HN 0.419 nan 8.240 nan 0.000 0.466 311 A N 1.391 124.294 122.820 0.138 0.000 2.015 311 A HA 0.011 4.330 4.320 -0.003 0.000 0.219 311 A C 2.548 180.178 177.584 0.076 0.000 1.163 311 A CA 1.833 53.945 52.037 0.125 0.000 0.646 311 A CB -1.240 17.824 19.000 0.107 0.000 0.806 311 A HN 0.544 nan 8.150 nan 0.000 0.448 312 T N -0.001 114.575 114.554 0.036 0.000 2.809 312 T HA -0.076 4.272 4.350 -0.003 0.000 0.260 312 T C 1.457 176.131 174.700 -0.043 0.000 1.039 312 T CA 1.393 63.493 62.100 0.000 0.000 1.141 312 T CB -0.300 68.563 68.868 -0.007 0.000 0.869 312 T HN 0.445 nan 8.240 nan 0.000 0.437 313 D N -0.004 120.319 120.400 -0.128 0.000 2.123 313 D HA 0.006 4.644 4.640 -0.003 0.000 0.200 313 D C 0.026 176.185 176.300 -0.236 0.000 0.976 313 D CA 0.907 54.752 54.000 -0.258 0.000 0.831 313 D CB -0.190 40.318 40.800 -0.487 0.000 0.974 313 D HN 0.375 nan 8.370 nan 0.000 0.469 314 Y N 1.499 121.812 120.300 0.021 0.000 2.313 314 Y HA 0.169 4.717 4.550 -0.003 0.000 0.332 314 Y C 1.484 177.391 175.900 0.012 0.000 1.071 314 Y CA -0.768 57.345 58.100 0.021 0.000 1.169 314 Y CB 0.569 39.053 38.460 0.040 0.000 1.192 314 Y HN -0.230 nan 8.280 nan 0.000 0.487 315 N N 1.704 120.500 118.700 0.161 0.000 2.120 315 N HA -0.151 4.587 4.740 -0.003 0.000 0.188 315 N C -0.112 175.429 175.510 0.052 0.000 1.024 315 N CA 1.285 54.375 53.050 0.068 0.000 0.852 315 N CB -0.015 38.496 38.487 0.040 0.000 1.003 315 N HN 0.652 nan 8.380 nan 0.000 0.424 316 Q N -0.130 119.729 119.800 0.099 0.000 2.700 316 Q HA 0.250 4.589 4.340 -0.003 0.000 0.249 316 Q C 0.522 176.593 176.000 0.119 0.000 1.033 316 Q CA -0.144 55.714 55.803 0.093 0.000 0.804 316 Q CB 1.849 30.659 28.738 0.121 0.000 1.164 316 Q HN -0.096 nan 8.270 nan 0.000 0.500 317 V N 2.672 122.667 119.914 0.135 0.000 2.594 317 V HA -0.291 3.828 4.120 -0.003 0.000 0.253 317 V C 0.904 177.038 176.094 0.066 0.000 1.069 317 V CA 2.182 64.556 62.300 0.124 0.000 1.082 317 V CB -0.047 31.882 31.823 0.177 0.000 0.680 317 V HN 0.783 nan 8.190 nan 0.000 0.469 318 N N -0.281 118.486 118.700 0.111 0.000 2.550 318 N HA -0.085 4.654 4.740 -0.003 0.000 0.186 318 N C 0.781 176.358 175.510 0.112 0.000 1.110 318 N CA 0.794 53.908 53.050 0.107 0.000 0.912 318 N CB 0.023 38.628 38.487 0.197 0.000 0.968 318 N HN 0.479 nan 8.380 nan 0.000 0.448 319 D N 0.283 120.777 120.400 0.157 0.000 2.339 319 D HA 0.018 4.657 4.640 -0.003 0.000 0.217 319 D C 0.125 176.499 176.300 0.122 0.000 1.050 319 D CA 0.508 54.651 54.000 0.237 0.000 0.856 319 D CB 0.265 41.261 40.800 0.328 0.000 0.922 319 D HN 0.182 nan 8.370 nan 0.000 0.518 320 Q N 0.516 120.292 119.800 -0.040 0.000 2.293 320 Q HA 0.267 4.606 4.340 -0.003 0.000 0.251 320 Q C -0.050 175.862 176.000 -0.146 0.000 0.930 320 Q CA -0.413 55.308 55.803 -0.137 0.000 0.893 320 Q CB 2.083 30.657 28.738 -0.273 0.000 1.215 320 Q HN -0.126 nan 8.270 nan 0.000 0.425 321 V N 2.976 122.804 119.914 -0.144 0.000 2.364 321 V HA 0.301 4.419 4.120 -0.003 0.000 0.272 321 V C 0.498 176.576 176.094 -0.027 0.000 1.036 321 V CA -0.455 61.745 62.300 -0.168 0.000 0.880 321 V CB 0.997 32.580 31.823 -0.400 0.000 0.991 321 V HN 0.908 nan 8.190 nan 0.000 0.460 322 T N 2.518 116.977 114.554 -0.159 0.000 2.944 322 T HA 0.906 5.254 4.350 -0.003 0.000 0.284 322 T C -0.685 174.037 174.700 0.038 0.000 1.010 322 T CA -0.558 61.335 62.100 -0.345 0.000 1.025 322 T CB 1.778 70.043 68.868 -1.004 0.000 1.079 322 T HN 0.696 nan 8.240 nan 0.000 0.516 323 F N -1.272 118.687 119.950 0.015 0.000 2.769 323 F HA 0.466 4.992 4.527 -0.003 0.000 0.313 323 F C 0.189 176.102 175.800 0.189 0.000 1.146 323 F CA -1.483 56.572 58.000 0.092 0.000 0.934 323 F CB 0.533 39.574 39.000 0.068 0.000 1.283 323 F HN 0.602 nan 8.300 nan 0.000 0.443 324 I N -1.266 119.464 120.570 0.267 0.000 3.783 324 I HA 0.399 4.567 4.170 -0.003 0.000 0.310 324 I C -0.679 175.697 176.117 0.431 0.000 1.274 324 I CA 0.353 61.809 61.300 0.260 0.000 1.294 324 I CB 0.054 38.067 38.000 0.022 0.000 1.051 324 I HN 0.658 nan 8.210 nan 0.000 0.435 325 D N 0.260 120.950 120.400 0.483 0.000 2.738 325 D HA 0.390 5.029 4.640 -0.003 0.000 0.308 325 D C -1.010 175.405 176.300 0.192 0.000 1.311 325 D CA -0.688 53.559 54.000 0.412 0.000 0.799 325 D CB 0.564 41.580 40.800 0.359 0.000 1.332 325 D HN 0.300 nan 8.370 nan 0.000 0.441 326 N N -2.747 115.842 118.700 -0.185 0.000 3.427 326 N HA 0.088 4.826 4.740 -0.003 0.000 0.313 326 N C 0.701 175.690 175.510 -0.869 0.000 1.491 326 N CA -0.333 52.207 53.050 -0.850 0.000 0.870 326 N CB -0.288 37.823 38.487 -0.626 0.000 1.763 326 N HN 0.585 nan 8.380 nan 0.000 0.502 327 H N -1.409 117.218 119.070 -0.737 0.000 2.541 327 H HA 0.036 4.591 4.556 -0.003 0.000 0.289 327 H C -0.667 174.667 175.328 0.011 0.000 1.054 327 H CA 1.352 57.295 56.048 -0.175 0.000 1.250 327 H CB -0.328 29.561 29.762 0.211 0.000 1.369 327 H HN 0.539 nan 8.280 nan 0.000 0.578 328 D N 0.656 120.814 120.400 -0.404 0.000 2.395 328 D HA 0.167 4.805 4.640 -0.003 0.000 0.213 328 D C 1.090 177.417 176.300 0.045 0.000 1.110 328 D CA 0.157 54.081 54.000 -0.127 0.000 0.835 328 D CB 0.613 41.411 40.800 -0.003 0.000 0.965 328 D HN 0.580 nan 8.370 nan 0.000 0.505 329 M N -1.649 117.988 119.600 0.063 0.000 2.924 329 M HA 0.425 4.904 4.480 -0.003 0.000 0.271 329 M C -1.599 174.764 176.300 0.105 0.000 1.280 329 M CA -0.966 54.411 55.300 0.129 0.000 0.813 329 M CB 1.741 34.480 32.600 0.232 0.000 1.658 329 M HN -0.451 nan 8.290 nan 0.000 0.467 330 D N 2.279 122.739 120.400 0.101 0.000 2.414 330 D HA 0.211 4.850 4.640 -0.003 0.000 0.242 330 D C -0.128 176.248 176.300 0.126 0.000 1.129 330 D CA 0.080 54.134 54.000 0.089 0.000 0.885 330 D CB 0.625 41.459 40.800 0.057 0.000 1.198 330 D HN 0.334 nan 8.370 nan 0.000 0.437 331 R N 1.389 121.971 120.500 0.137 0.000 2.638 331 R HA -0.073 4.266 4.340 -0.003 0.000 0.268 331 R C 1.148 177.563 176.300 0.191 0.000 1.006 331 R CA -0.017 56.195 56.100 0.187 0.000 1.088 331 R CB -0.047 30.333 30.300 0.134 0.000 0.950 331 R HN 0.517 nan 8.270 nan 0.000 0.419 332 F N 2.084 122.108 119.950 0.124 0.000 2.102 332 F HA -0.168 4.357 4.527 -0.003 0.000 0.298 332 F C 1.073 176.938 175.800 0.108 0.000 1.105 332 F CA 1.497 59.569 58.000 0.120 0.000 1.239 332 F CB -0.019 39.056 39.000 0.127 0.000 0.991 332 F HN 0.266 nan 8.300 nan 0.000 0.474 333 K N 1.198 121.817 120.400 0.366 0.000 2.379 333 K HA 0.232 4.550 4.320 -0.003 0.000 0.284 333 K C -0.811 175.864 176.600 0.126 0.000 1.044 333 K CA 0.287 56.730 56.287 0.261 0.000 0.974 333 K CB 0.571 33.240 32.500 0.280 0.000 0.962 333 K HN 0.131 nan 8.250 nan 0.000 0.474 334 T N 1.700 116.302 114.554 0.081 0.000 2.883 334 T HA 0.181 4.530 4.350 -0.003 0.000 0.296 334 T C 0.829 175.552 174.700 0.037 0.000 1.117 334 T CA -0.233 61.891 62.100 0.039 0.000 1.006 334 T CB 1.356 70.226 68.868 0.003 0.000 1.191 334 T HN 0.617 nan 8.240 nan 0.000 0.508 335 S N 0.921 116.634 115.700 0.022 0.000 2.382 335 S HA -0.079 4.390 4.470 -0.003 0.000 0.228 335 S C 2.175 176.783 174.600 0.014 0.000 1.027 335 S CA 1.000 59.209 58.200 0.016 0.000 0.991 335 S CB -0.586 62.618 63.200 0.008 0.000 0.823 335 S HN 0.789 nan 8.310 nan 0.000 0.469 336 A N 0.862 123.688 122.820 0.009 0.000 2.216 336 A HA 0.369 4.687 4.320 -0.003 0.000 0.214 336 A C 0.792 178.386 177.584 0.016 0.000 1.160 336 A CA 0.364 52.406 52.037 0.007 0.000 0.725 336 A CB -0.383 18.616 19.000 -0.003 0.000 0.784 336 A HN 0.400 nan 8.150 nan 0.000 0.472 337 V N 2.863 122.795 119.914 0.029 0.000 2.370 337 V HA 0.169 4.287 4.120 -0.003 0.000 0.283 337 V C -0.522 175.630 176.094 0.096 0.000 1.023 337 V CA -1.250 61.086 62.300 0.060 0.000 0.857 337 V CB 1.100 32.949 31.823 0.044 0.000 0.985 337 V HN 0.561 nan 8.190 nan 0.000 0.443 338 N N 4.096 122.858 118.700 0.103 0.000 2.467 338 N HA 0.143 4.881 4.740 -0.003 0.000 0.262 338 N C 0.524 176.108 175.510 0.123 0.000 1.234 338 N CA -0.578 52.523 53.050 0.084 0.000 0.952 338 N CB 0.733 39.259 38.487 0.065 0.000 1.158 338 N HN 0.439 nan 8.380 nan 0.000 0.463 339 N N 0.891 119.620 118.700 0.048 0.000 2.137 339 N HA -0.185 4.554 4.740 -0.003 0.000 0.190 339 N C 1.581 177.182 175.510 0.151 0.000 1.017 339 N CA 1.063 54.148 53.050 0.059 0.000 0.859 339 N CB -0.264 38.112 38.487 -0.185 0.000 1.002 339 N HN 0.529 nan 8.380 nan 0.000 0.428 340 R N 1.192 121.757 120.500 0.108 0.000 2.115 340 R HA 0.110 4.449 4.340 -0.003 0.000 0.230 340 R C 1.661 178.041 176.300 0.133 0.000 1.111 340 R CA 1.052 57.217 56.100 0.109 0.000 0.976 340 R CB -0.117 30.237 30.300 0.090 0.000 0.870 340 R HN 0.048 nan 8.270 nan 0.000 0.445 341 R N 0.277 120.893 120.500 0.192 0.000 2.115 341 R HA -0.040 4.299 4.340 -0.003 0.000 0.230 341 R C 1.891 178.312 176.300 0.200 0.000 1.111 341 R CA 0.821 57.086 56.100 0.274 0.000 0.976 341 R CB -1.033 29.484 30.300 0.362 0.000 0.870 341 R HN 0.265 nan 8.270 nan 0.000 0.445 342 L N 1.792 123.131 121.223 0.192 0.000 2.056 342 L HA -0.091 4.247 4.340 -0.003 0.000 0.207 342 L C 1.437 178.183 176.870 -0.207 0.000 1.078 342 L CA 1.890 56.629 54.840 -0.168 0.000 0.749 342 L CB -0.979 41.156 42.059 0.127 0.000 0.901 342 L HN 0.085 nan 8.230 nan 0.000 0.433 343 E N -0.436 119.752 120.200 -0.020 0.000 2.077 343 E HA -0.239 4.110 4.350 -0.003 0.000 0.193 343 E C 2.176 178.712 176.600 -0.107 0.000 0.989 343 E CA 1.494 57.876 56.400 -0.030 0.000 0.800 343 E CB -0.112 29.624 29.700 0.059 0.000 0.746 343 E HN 0.635 nan 8.360 nan 0.000 0.452 344 Q N 0.069 119.789 119.800 -0.133 0.000 2.079 344 Q HA -0.122 4.217 4.340 -0.003 0.000 0.200 344 Q C 2.294 177.976 176.000 -0.530 0.000 0.974 344 Q CA 1.280 56.941 55.803 -0.237 0.000 0.840 344 Q CB -0.159 28.479 28.738 -0.168 0.000 0.898 344 Q HN 0.266 nan 8.270 nan 0.000 0.430 345 A N 0.780 123.163 122.820 -0.729 0.000 1.972 345 A HA -0.138 4.181 4.320 -0.003 0.000 0.219 345 A C 2.049 179.448 177.584 -0.308 0.000 1.169 345 A CA 0.943 52.538 52.037 -0.737 0.000 0.635 345 A CB -0.566 18.022 19.000 -0.686 0.000 0.810 345 A HN 0.265 nan 8.150 nan 0.000 0.446 346 L N -0.881 120.183 121.223 -0.266 0.000 2.017 346 L HA -0.196 4.143 4.340 -0.003 0.000 0.208 346 L C 3.150 179.981 176.870 -0.064 0.000 1.073 346 L CA 1.129 55.889 54.840 -0.133 0.000 0.745 346 L CB -0.584 41.398 42.059 -0.127 0.000 0.894 346 L HN 0.441 nan 8.230 nan 0.000 0.432 347 A N -0.242 122.536 122.820 -0.070 0.000 1.908 347 A HA -0.290 4.029 4.320 -0.003 0.000 0.218 347 A C 2.166 179.782 177.584 0.054 0.000 1.181 347 A CA 1.737 53.759 52.037 -0.025 0.000 0.627 347 A CB -0.879 18.102 19.000 -0.031 0.000 0.818 347 A HN 0.407 nan 8.150 nan 0.000 0.445 348 F N 1.305 121.227 119.950 -0.046 0.000 2.075 348 F HA -0.154 4.371 4.527 -0.003 0.000 0.297 348 F C 2.524 178.419 175.800 0.158 0.000 1.113 348 F CA 2.369 60.427 58.000 0.098 0.000 1.218 348 F CB -0.724 38.288 39.000 0.020 0.000 0.984 348 F HN 0.208 nan 8.300 nan 0.000 0.472 349 T N 1.502 116.158 114.554 0.171 0.000 2.746 349 T HA -0.178 4.170 4.350 -0.003 0.000 0.267 349 T C 2.114 176.791 174.700 -0.038 0.000 1.039 349 T CA 1.770 63.961 62.100 0.152 0.000 1.142 349 T CB -0.536 68.446 68.868 0.190 0.000 0.866 349 T HN 0.247 nan 8.240 nan 0.000 0.444 350 L N 1.223 122.422 121.223 -0.040 0.000 2.217 350 L HA -0.030 4.308 4.340 -0.003 0.000 0.211 350 L C 2.693 179.509 176.870 -0.090 0.000 1.107 350 L CA 1.305 56.104 54.840 -0.069 0.000 0.783 350 L CB -0.714 41.309 42.059 -0.061 0.000 0.919 350 L HN 0.431 nan 8.230 nan 0.000 0.442 351 T N -5.621 108.886 114.554 -0.078 0.000 3.069 351 T HA 0.169 4.518 4.350 -0.003 0.000 0.252 351 T C 0.865 175.535 174.700 -0.050 0.000 1.053 351 T CA -0.260 61.807 62.100 -0.055 0.000 0.964 351 T CB 0.242 69.100 68.868 -0.017 0.000 1.005 351 T HN 0.002 nan 8.240 nan 0.000 0.532 352 S N 2.377 117.976 115.700 -0.169 0.000 2.669 352 S HA 0.558 5.026 4.470 -0.003 0.000 0.270 352 S C 0.490 174.997 174.600 -0.155 0.000 1.225 352 S CA -1.046 57.028 58.200 -0.210 0.000 0.991 352 S CB 0.793 63.787 63.200 -0.343 0.000 0.987 352 S HN 0.614 nan 8.310 nan 0.000 0.552 353 R N 0.701 121.139 120.500 -0.103 0.000 2.738 353 R HA 0.566 4.904 4.340 -0.003 0.000 0.268 353 R C 0.521 176.717 176.300 -0.175 0.000 1.062 353 R CA 0.463 56.510 56.100 -0.088 0.000 1.158 353 R CB -1.347 28.953 30.300 -0.001 0.000 1.046 353 R HN 0.972 nan 8.270 nan 0.000 0.493 354 G N -0.472 108.242 108.800 -0.144 0.000 2.466 354 G HA2 -0.106 3.852 3.960 -0.003 0.000 0.316 354 G HA3 -0.106 3.852 3.960 -0.003 0.000 0.316 354 G C -1.576 173.205 174.900 -0.199 0.000 1.270 354 G CA -0.378 44.613 45.100 -0.183 0.000 0.982 354 G HN 0.644 nan 8.290 nan 0.000 0.506 355 V N 2.766 122.556 119.914 -0.206 0.000 2.350 355 V HA 0.559 4.677 4.120 -0.003 0.000 0.285 355 V C -1.885 174.111 176.094 -0.164 0.000 1.014 355 V CA -1.030 61.151 62.300 -0.198 0.000 0.831 355 V CB 1.744 33.425 31.823 -0.238 0.000 1.000 355 V HN 0.695 nan 8.190 nan 0.000 0.433 356 P HA 0.447 nan 4.420 nan 0.000 0.280 356 P C -0.769 176.562 177.300 0.051 0.000 1.244 356 P CA -0.111 62.952 63.100 -0.062 0.000 0.784 356 P CB 1.493 33.148 31.700 -0.075 0.000 0.913 357 A N 4.281 127.189 122.820 0.146 0.000 2.355 357 A HA 0.737 5.055 4.320 -0.003 0.000 0.317 357 A C -0.511 177.214 177.584 0.235 0.000 1.094 357 A CA -0.880 51.310 52.037 0.256 0.000 0.764 357 A CB 0.751 20.006 19.000 0.424 0.000 1.230 357 A HN 0.475 nan 8.150 nan 0.000 0.448 358 I N 2.114 122.802 120.570 0.197 0.000 2.406 358 I HA 0.216 4.384 4.170 -0.003 0.000 0.290 358 I C -0.960 175.187 176.117 0.050 0.000 0.999 358 I CA -0.699 60.686 61.300 0.142 0.000 1.124 358 I CB 1.526 39.621 38.000 0.158 0.000 1.289 358 I HN 0.717 nan 8.210 nan 0.000 0.441 359 Y N 8.150 128.399 120.300 -0.086 0.000 2.377 359 Y HA 0.120 4.668 4.550 -0.003 0.000 0.330 359 Y C -0.016 175.702 175.900 -0.304 0.000 1.108 359 Y CA -1.222 56.782 58.100 -0.160 0.000 1.308 359 Y CB 0.203 38.623 38.460 -0.066 0.000 1.216 359 Y HN 0.441 nan 8.280 nan 0.000 0.518 360 Y N 3.737 123.687 120.300 -0.584 0.000 2.895 360 Y HA 0.312 4.860 4.550 -0.003 0.000 0.334 360 Y C 1.060 176.843 175.900 -0.196 0.000 1.261 360 Y CA -0.217 57.587 58.100 -0.494 0.000 1.560 360 Y CB -0.127 38.232 38.460 -0.167 0.000 1.253 360 Y HN 0.904 nan 8.280 nan 0.000 0.582 361 G N 2.169 110.964 108.800 -0.008 0.000 2.195 361 G HA2 -0.354 3.605 3.960 -0.003 0.000 0.246 361 G HA3 -0.354 3.605 3.960 -0.003 0.000 0.246 361 G C 0.837 175.662 174.900 -0.124 0.000 0.984 361 G CA 0.348 45.381 45.100 -0.110 0.000 0.633 361 G HN 0.830 nan 8.290 nan 0.000 0.525 362 T N 1.690 116.174 114.554 -0.117 0.000 2.720 362 T HA -0.106 4.242 4.350 -0.003 0.000 0.268 362 T C 2.142 176.733 174.700 -0.182 0.000 1.037 362 T CA 1.886 63.925 62.100 -0.102 0.000 1.144 362 T CB -0.244 68.598 68.868 -0.042 0.000 0.864 362 T HN 0.776 nan 8.240 nan 0.000 0.444 363 E N 1.082 121.240 120.200 -0.070 0.000 2.472 363 E HA -0.132 4.216 4.350 -0.003 0.000 0.200 363 E C 1.237 177.751 176.600 -0.144 0.000 1.046 363 E CA 0.802 57.142 56.400 -0.101 0.000 0.871 363 E CB -0.124 29.640 29.700 0.107 0.000 0.806 363 E HN 0.409 nan 8.360 nan 0.000 0.533 364 Q N -0.261 119.480 119.800 -0.098 0.000 2.219 364 Q HA 0.080 4.418 4.340 -0.003 0.000 0.209 364 Q C -0.465 175.575 176.000 0.068 0.000 0.854 364 Q CA -0.385 55.423 55.803 0.007 0.000 0.960 364 Q CB -0.183 28.572 28.738 0.027 0.000 1.116 364 Q HN 0.338 nan 8.270 nan 0.000 0.500 365 Y N -0.632 119.697 120.300 0.047 0.000 3.589 365 Y HA -0.269 4.280 4.550 -0.003 0.000 0.218 365 Y C 0.314 176.225 175.900 0.017 0.000 1.234 365 Y CA -0.101 58.025 58.100 0.043 0.000 1.576 365 Y CB -2.337 36.154 38.460 0.050 0.000 1.487 365 Y HN 0.198 nan 8.280 nan 0.000 0.616 366 L N 1.442 122.692 121.223 0.045 0.000 2.578 366 L HA 0.045 4.384 4.340 -0.003 0.000 0.279 366 L C 1.175 178.059 176.870 0.022 0.000 1.227 366 L CA 1.217 56.049 54.840 -0.013 0.000 0.900 366 L CB 0.571 42.539 42.059 -0.151 0.000 1.144 366 L HN 0.502 nan 8.230 nan 0.000 0.496 367 T N 0.283 114.852 114.554 0.025 0.000 2.922 367 T HA 0.845 5.193 4.350 -0.003 0.000 0.281 367 T C -0.013 174.696 174.700 0.014 0.000 1.005 367 T CA -0.247 61.877 62.100 0.040 0.000 0.982 367 T CB 2.038 70.932 68.868 0.044 0.000 1.158 367 T HN 0.918 nan 8.240 nan 0.000 0.566 368 G N 0.627 109.443 108.800 0.026 0.000 2.177 368 G HA2 0.198 4.157 3.960 -0.003 0.000 0.202 368 G HA3 0.198 4.157 3.960 -0.003 0.000 0.202 368 G C -1.558 173.363 174.900 0.035 0.000 1.581 368 G CA -1.158 43.953 45.100 0.019 0.000 0.983 368 G HN 0.905 nan 8.290 nan 0.000 0.689 369 N N 0.917 119.632 118.700 0.025 0.000 2.400 369 N HA 0.729 5.468 4.740 -0.003 0.000 0.288 369 N C 0.584 176.107 175.510 0.023 0.000 1.024 369 N CA 0.382 53.450 53.050 0.029 0.000 0.894 369 N CB 1.971 40.469 38.487 0.020 0.000 1.173 369 N HN 1.641 nan 8.380 nan 0.000 0.487 370 G N 1.508 110.325 108.800 0.029 0.000 2.829 370 G HA2 -0.228 3.731 3.960 -0.003 0.000 0.628 370 G HA3 -0.228 3.731 3.960 -0.003 0.000 0.628 370 G C -1.095 173.819 174.900 0.023 0.000 1.412 370 G CA -0.749 44.362 45.100 0.017 0.000 0.864 370 G HN 0.684 nan 8.290 nan 0.000 0.544 371 D N 0.454 120.864 120.400 0.016 0.000 2.249 371 D HA 0.587 5.225 4.640 -0.003 0.000 0.246 371 D C -0.262 176.056 176.300 0.030 0.000 1.114 371 D CA -1.525 52.496 54.000 0.035 0.000 0.854 371 D CB 1.303 42.124 40.800 0.035 0.000 1.132 371 D HN 0.253 nan 8.370 nan 0.000 0.461 372 P HA 0.208 nan 4.420 nan 0.000 0.274 372 P C 0.002 177.300 177.300 -0.003 0.000 1.352 372 P CA -0.155 62.968 63.100 0.039 0.000 0.947 372 P CB 0.714 32.440 31.700 0.043 0.000 1.437 373 D N 1.690 122.089 120.400 -0.002 0.000 2.221 373 D HA -0.130 4.508 4.640 -0.003 0.000 0.204 373 D C 1.309 177.608 176.300 -0.002 0.000 0.982 373 D CA 1.036 55.030 54.000 -0.010 0.000 0.857 373 D CB -0.457 40.341 40.800 -0.003 0.000 0.934 373 D HN 0.365 nan 8.370 nan 0.000 0.475 374 N N 0.163 118.878 118.700 0.026 0.000 2.515 374 N HA -0.067 4.671 4.740 -0.003 0.000 0.191 374 N C 0.225 175.759 175.510 0.040 0.000 1.182 374 N CA 0.180 53.267 53.050 0.062 0.000 0.879 374 N CB 0.003 38.571 38.487 0.135 0.000 0.984 374 N HN -0.046 nan 8.380 nan 0.000 0.453 375 R N 0.016 120.501 120.500 -0.024 0.000 2.776 375 R HA 0.454 4.793 4.340 -0.003 0.000 0.391 375 R C -0.394 175.906 176.300 0.000 0.000 1.116 375 R CA -0.237 55.826 56.100 -0.061 0.000 1.056 375 R CB 0.670 30.837 30.300 -0.222 0.000 1.369 375 R HN 0.241 nan 8.270 nan 0.000 0.590 376 A N 0.728 123.544 122.820 -0.006 0.000 2.366 376 A HA 0.223 4.541 4.320 -0.003 0.000 0.249 376 A C -0.037 177.596 177.584 0.080 0.000 1.084 376 A CA -0.306 51.728 52.037 -0.005 0.000 0.794 376 A CB 0.317 19.294 19.000 -0.039 0.000 1.034 376 A HN 0.356 nan 8.150 nan 0.000 0.491 377 K N 0.455 120.875 120.400 0.034 0.000 2.489 377 K HA 0.085 4.404 4.320 -0.003 0.000 0.278 377 K C 0.251 176.883 176.600 0.052 0.000 1.000 377 K CA -0.115 56.204 56.287 0.053 0.000 1.012 377 K CB 0.111 32.606 32.500 -0.007 0.000 0.903 377 K HN 0.646 nan 8.250 nan 0.000 0.485 378 M N 8.203 127.848 119.600 0.075 0.000 2.390 378 M HA 0.026 4.504 4.480 -0.003 0.000 0.353 378 M C -1.847 174.287 176.300 -0.278 0.000 1.623 378 M CA -1.154 54.103 55.300 -0.073 0.000 1.065 378 M CB 0.801 33.255 32.600 -0.243 0.000 2.025 378 M HN 0.495 nan 8.290 nan 0.000 0.461 379 P HA 0.079 nan 4.420 nan 0.000 0.230 379 P C -0.350 176.783 177.300 -0.278 0.000 1.168 379 P CA 0.430 63.409 63.100 -0.201 0.000 0.793 379 P CB 0.464 32.095 31.700 -0.115 0.000 0.851 380 S N -1.590 113.831 115.700 -0.465 0.000 2.595 380 S HA 0.520 4.989 4.470 -0.003 0.000 0.270 380 S C -1.597 172.570 174.600 -0.721 0.000 1.145 380 S CA -0.569 57.390 58.200 -0.402 0.000 0.825 380 S CB 0.087 63.194 63.200 -0.155 0.000 1.107 380 S HN -0.171 nan 8.310 nan 0.000 0.461 381 F N 1.974 121.836 119.950 -0.147 0.000 2.850 381 F HA 0.417 4.943 4.527 -0.003 0.000 0.329 381 F C 1.005 176.824 175.800 0.031 0.000 1.182 381 F CA -0.375 57.483 58.000 -0.237 0.000 1.270 381 F CB 0.838 39.555 39.000 -0.472 0.000 0.979 381 F HN 0.487 nan 8.300 nan 0.000 0.506 382 S N 1.108 116.874 115.700 0.110 0.000 2.549 382 S HA 0.084 4.552 4.470 -0.003 0.000 0.286 382 S C 1.055 175.589 174.600 -0.109 0.000 1.314 382 S CA -0.050 58.166 58.200 0.027 0.000 1.062 382 S CB 0.525 63.731 63.200 0.009 0.000 0.865 382 S HN 0.448 nan 8.310 nan 0.000 0.498 383 K N 3.135 123.311 120.400 -0.373 0.000 2.440 383 K HA 0.185 4.503 4.320 -0.003 0.000 0.206 383 K C 0.681 176.823 176.600 -0.762 0.000 1.025 383 K CA -0.076 55.513 56.287 -1.163 0.000 1.135 383 K CB 0.427 32.373 32.500 -0.924 0.000 0.856 383 K HN 0.460 nan 8.250 nan 0.000 0.502 384 S N 0.695 116.209 115.700 -0.310 0.000 2.511 384 S HA -0.026 4.443 4.470 -0.003 0.000 0.214 384 S C 0.912 175.517 174.600 0.009 0.000 0.997 384 S CA -0.082 58.046 58.200 -0.120 0.000 0.908 384 S CB 0.331 63.497 63.200 -0.057 0.000 0.803 384 S HN 0.481 nan 8.310 nan 0.000 0.504 385 T N 0.399 115.006 114.554 0.090 0.000 2.802 385 T HA 0.122 4.471 4.350 -0.003 0.000 0.305 385 T C 1.361 176.192 174.700 0.219 0.000 1.053 385 T CA 0.009 62.238 62.100 0.216 0.000 1.058 385 T CB 0.532 69.591 68.868 0.317 0.000 0.988 385 T HN 0.024 nan 8.240 nan 0.000 0.539 386 T N 1.659 116.358 114.554 0.241 0.000 2.746 386 T HA -0.041 4.307 4.350 -0.003 0.000 0.267 386 T C 2.453 177.258 174.700 0.175 0.000 1.039 386 T CA 1.304 63.518 62.100 0.190 0.000 1.142 386 T CB -0.886 68.089 68.868 0.178 0.000 0.866 386 T HN 0.817 nan 8.240 nan 0.000 0.444 387 A N 1.177 124.105 122.820 0.179 0.000 1.917 387 A HA -0.124 4.195 4.320 -0.003 0.000 0.219 387 A C 2.016 179.620 177.584 0.033 0.000 1.182 387 A CA 1.624 53.660 52.037 -0.002 0.000 0.633 387 A CB -1.073 17.722 19.000 -0.343 0.000 0.819 387 A HN 0.471 nan 8.150 nan 0.000 0.448 388 F N 1.110 121.038 119.950 -0.037 0.000 2.102 388 F HA -0.180 4.345 4.527 -0.003 0.000 0.298 388 F C 2.215 178.000 175.800 -0.025 0.000 1.105 388 F CA 1.935 59.919 58.000 -0.028 0.000 1.239 388 F CB -0.337 38.659 39.000 -0.007 0.000 0.991 388 F HN 0.356 nan 8.300 nan 0.000 0.474 389 N N 0.218 119.094 118.700 0.293 0.000 2.120 389 N HA -0.166 4.572 4.740 -0.003 0.000 0.188 389 N C 1.919 177.465 175.510 0.061 0.000 1.024 389 N CA 1.700 54.859 53.050 0.182 0.000 0.852 389 N CB -0.127 38.444 38.487 0.140 0.000 1.003 389 N HN 0.237 nan 8.380 nan 0.000 0.424 390 V N 1.803 121.737 119.914 0.032 0.000 2.287 390 V HA -0.225 3.894 4.120 -0.003 0.000 0.248 390 V C 2.360 178.422 176.094 -0.054 0.000 1.053 390 V CA 1.413 63.705 62.300 -0.014 0.000 1.027 390 V CB -0.371 31.443 31.823 -0.014 0.000 0.646 390 V HN 0.287 nan 8.190 nan 0.000 0.447 391 I N 0.960 121.476 120.570 -0.089 0.000 2.252 391 I HA -0.203 3.966 4.170 -0.003 0.000 0.245 391 I C 2.591 178.620 176.117 -0.148 0.000 1.102 391 I CA 1.751 62.973 61.300 -0.130 0.000 1.385 391 I CB -0.483 37.407 38.000 -0.183 0.000 1.064 391 I HN 0.452 nan 8.210 nan 0.000 0.414 392 S N 0.587 116.189 115.700 -0.164 0.000 2.423 392 S HA -0.082 4.386 4.470 -0.003 0.000 0.231 392 S C 1.860 176.422 174.600 -0.063 0.000 1.014 392 S CA 0.575 58.701 58.200 -0.123 0.000 0.965 392 S CB -0.267 62.900 63.200 -0.054 0.000 0.785 392 S HN 0.403 nan 8.310 nan 0.000 0.495 393 K N 0.909 121.282 120.400 -0.045 0.000 2.167 393 K HA 0.237 4.556 4.320 -0.003 0.000 0.203 393 K C 1.934 178.499 176.600 -0.058 0.000 1.052 393 K CA 0.697 56.960 56.287 -0.041 0.000 0.956 393 K CB -0.241 32.241 32.500 -0.030 0.000 0.735 393 K HN 0.400 nan 8.250 nan 0.000 0.451 394 L N 0.148 121.330 121.223 -0.069 0.000 2.253 394 L HA 0.079 4.417 4.340 -0.003 0.000 0.205 394 L C 2.543 179.361 176.870 -0.085 0.000 1.078 394 L CA 0.352 55.145 54.840 -0.078 0.000 0.805 394 L CB -0.456 41.556 42.059 -0.077 0.000 0.963 394 L HN 0.052 nan 8.230 nan 0.000 0.459 395 A N 1.283 124.050 122.820 -0.088 0.000 1.892 395 A HA -0.150 4.169 4.320 -0.003 0.000 0.218 395 A C -0.121 177.404 177.584 -0.098 0.000 1.188 395 A CA 1.796 53.778 52.037 -0.092 0.000 0.631 395 A CB -1.834 17.111 19.000 -0.092 0.000 0.822 395 A HN 0.262 nan 8.150 nan 0.000 0.447 396 P HA -0.134 nan 4.420 nan 0.000 0.218 396 P C 1.168 178.410 177.300 -0.097 0.000 1.146 396 P CA 0.679 63.727 63.100 -0.088 0.000 0.813 396 P CB -0.084 31.574 31.700 -0.070 0.000 0.778 397 L N -0.785 120.381 121.223 -0.095 0.000 2.191 397 L HA -0.131 4.208 4.340 -0.003 0.000 0.212 397 L C 2.323 179.113 176.870 -0.134 0.000 1.103 397 L CA 1.671 56.451 54.840 -0.101 0.000 0.769 397 L CB -0.943 41.060 42.059 -0.093 0.000 0.908 397 L HN -0.055 nan 8.230 nan 0.000 0.438 398 R N -0.888 119.519 120.500 -0.154 0.000 2.189 398 R HA -0.079 4.259 4.340 -0.003 0.000 0.223 398 R C 1.853 178.010 176.300 -0.239 0.000 1.092 398 R CA 0.623 56.596 56.100 -0.212 0.000 0.989 398 R CB -0.098 30.077 30.300 -0.207 0.000 0.876 398 R HN 0.309 nan 8.270 nan 0.000 0.457 399 K N 0.100 120.390 120.400 -0.183 0.000 2.166 399 K HA 0.029 4.348 4.320 -0.003 0.000 0.201 399 K C 2.034 178.549 176.600 -0.143 0.000 1.052 399 K CA 1.242 57.427 56.287 -0.170 0.000 0.969 399 K CB 0.241 32.658 32.500 -0.138 0.000 0.761 399 K HN 0.142 nan 8.250 nan 0.000 0.459 400 S N -0.103 115.525 115.700 -0.121 0.000 2.503 400 S HA 0.024 4.492 4.470 -0.003 0.000 0.217 400 S C 0.645 175.188 174.600 -0.095 0.000 0.999 400 S CA -0.235 57.908 58.200 -0.096 0.000 0.914 400 S CB -0.177 62.976 63.200 -0.078 0.000 0.782 400 S HN 0.230 nan 8.310 nan 0.000 0.520 401 N N 1.991 120.624 118.700 -0.113 0.000 2.531 401 N HA 0.343 5.081 4.740 -0.003 0.000 0.268 401 N C -2.316 173.115 175.510 -0.131 0.000 1.023 401 N CA -2.091 50.904 53.050 -0.092 0.000 0.896 401 N CB 1.858 40.302 38.487 -0.072 0.000 1.233 401 N HN -0.072 nan 8.380 nan 0.000 0.512 402 P HA -0.093 nan 4.420 nan 0.000 0.230 402 P C 0.849 178.062 177.300 -0.145 0.000 1.158 402 P CA 0.618 63.610 63.100 -0.180 0.000 0.769 402 P CB 0.327 32.031 31.700 0.006 0.000 0.807 403 A N 0.312 123.146 122.820 0.024 0.000 1.969 403 A HA -0.111 4.207 4.320 -0.003 0.000 0.218 403 A C 2.231 179.806 177.584 -0.015 0.000 1.169 403 A CA 1.099 53.193 52.037 0.094 0.000 0.635 403 A CB -1.036 18.028 19.000 0.107 0.000 0.810 403 A HN 0.049 nan 8.150 nan 0.000 0.445 404 I N -0.346 120.164 120.570 -0.100 0.000 2.277 404 I HA -0.143 4.026 4.170 -0.003 0.000 0.243 404 I C 2.905 178.883 176.117 -0.232 0.000 1.094 404 I CA 1.449 62.671 61.300 -0.130 0.000 1.393 404 I CB -1.543 36.372 38.000 -0.141 0.000 1.078 404 I HN 0.344 nan 8.210 nan 0.000 0.417 405 A N -0.160 122.409 122.820 -0.419 0.000 1.930 405 A HA -0.165 4.153 4.320 -0.003 0.000 0.217 405 A C 1.670 178.858 177.584 -0.659 0.000 1.175 405 A CA 1.559 53.193 52.037 -0.672 0.000 0.627 405 A CB -0.483 17.864 19.000 -1.089 0.000 0.815 405 A HN 0.494 nan 8.150 nan 0.000 0.443 406 Y N -1.387 118.770 120.300 -0.239 0.000 2.499 406 Y HA 0.356 4.904 4.550 -0.003 0.000 0.253 406 Y C 1.532 177.419 175.900 -0.022 0.000 1.105 406 Y CA -0.904 57.063 58.100 -0.222 0.000 1.240 406 Y CB -0.608 37.455 38.460 -0.661 0.000 1.289 406 Y HN 0.221 nan 8.280 nan 0.000 0.534 407 G N 0.903 109.788 108.800 0.142 0.000 2.634 407 G HA2 0.365 4.323 3.960 -0.003 0.000 0.255 407 G HA3 0.365 4.323 3.960 -0.003 0.000 0.255 407 G C 0.336 175.352 174.900 0.194 0.000 1.205 407 G CA -0.045 45.203 45.100 0.247 0.000 0.884 407 G HN 0.227 nan 8.290 nan 0.000 0.549 408 S N -1.221 114.595 115.700 0.194 0.000 2.641 408 S HA 0.626 5.095 4.470 -0.003 0.000 0.261 408 S C -0.048 174.635 174.600 0.139 0.000 1.257 408 S CA -0.389 57.901 58.200 0.150 0.000 0.983 408 S CB 1.369 64.649 63.200 0.135 0.000 0.990 408 S HN 0.614 nan 8.310 nan 0.000 0.572 409 T N 1.209 115.843 114.554 0.133 0.000 2.881 409 T HA 0.541 4.889 4.350 -0.003 0.000 0.290 409 T C -1.091 173.701 174.700 0.153 0.000 1.000 409 T CA -0.572 61.618 62.100 0.150 0.000 0.978 409 T CB 1.478 70.421 68.868 0.125 0.000 0.997 409 T HN 0.662 nan 8.240 nan 0.000 0.443 410 Q N 1.949 121.852 119.800 0.171 0.000 2.331 410 Q HA 0.282 4.620 4.340 -0.003 0.000 0.272 410 Q C -1.115 175.000 176.000 0.191 0.000 1.062 410 Q CA -0.718 55.182 55.803 0.162 0.000 0.806 410 Q CB 2.092 30.907 28.738 0.128 0.000 1.312 410 Q HN 0.612 nan 8.270 nan 0.000 0.431 411 Q N 2.839 122.766 119.800 0.213 0.000 2.289 411 Q HA 0.045 4.384 4.340 -0.003 0.000 0.273 411 Q C -0.226 175.892 176.000 0.196 0.000 1.029 411 Q CA 0.471 56.426 55.803 0.252 0.000 0.896 411 Q CB 0.661 29.579 28.738 0.300 0.000 1.182 411 Q HN 0.593 nan 8.270 nan 0.000 0.385 412 R N 3.209 123.830 120.500 0.203 0.000 2.316 412 R HA 0.177 4.516 4.340 -0.003 0.000 0.201 412 R C -0.469 176.018 176.300 0.312 0.000 0.888 412 R CA 0.351 56.578 56.100 0.211 0.000 1.041 412 R CB 0.515 30.931 30.300 0.193 0.000 1.115 412 R HN 0.681 nan 8.270 nan 0.000 0.559 413 W N -0.044 121.328 121.300 0.120 0.000 3.707 413 W HA 0.594 5.253 4.660 -0.003 0.000 0.294 413 W C -1.744 174.863 176.519 0.148 0.000 1.248 413 W CA -0.642 56.771 57.345 0.112 0.000 1.217 413 W CB 1.322 30.839 29.460 0.094 0.000 1.306 413 W HN -0.146 nan 8.180 nan 0.000 0.532 414 I N 6.194 126.811 120.570 0.079 0.000 2.787 414 I HA 0.468 4.636 4.170 -0.003 0.000 0.294 414 I C -1.420 174.572 176.117 -0.209 0.000 1.365 414 I CA -0.426 60.915 61.300 0.068 0.000 1.029 414 I CB 1.465 39.423 38.000 -0.069 0.000 1.313 414 I HN 0.630 nan 8.210 nan 0.000 0.431 415 N N 4.090 122.725 118.700 -0.109 0.000 3.522 415 N HA 0.277 5.016 4.740 -0.003 0.000 0.328 415 N C 0.003 175.435 175.510 -0.130 0.000 1.623 415 N CA -0.292 52.708 53.050 -0.083 0.000 0.812 415 N CB -0.184 38.341 38.487 0.064 0.000 2.008 415 N HN 0.539 nan 8.380 nan 0.000 0.601 416 N N -0.713 118.026 118.700 0.065 0.000 2.149 416 N HA -0.163 4.575 4.740 -0.003 0.000 0.188 416 N C -0.466 175.027 175.510 -0.028 0.000 1.019 416 N CA 1.657 54.741 53.050 0.057 0.000 0.857 416 N CB -0.286 38.259 38.487 0.098 0.000 0.997 416 N HN 0.538 nan 8.380 nan 0.000 0.426 417 D N -0.240 120.168 120.400 0.014 0.000 2.474 417 D HA 0.247 4.886 4.640 -0.003 0.000 0.213 417 D C -0.329 176.005 176.300 0.057 0.000 1.120 417 D CA -0.063 53.942 54.000 0.008 0.000 0.836 417 D CB 1.338 42.158 40.800 0.033 0.000 1.019 417 D HN 0.026 nan 8.370 nan 0.000 0.507 418 V N 1.306 121.298 119.914 0.129 0.000 2.555 418 V HA 0.361 4.480 4.120 -0.003 0.000 0.302 418 V C -1.226 175.063 176.094 0.325 0.000 1.038 418 V CA -0.846 61.588 62.300 0.225 0.000 0.887 418 V CB 2.354 34.341 31.823 0.273 0.000 0.991 418 V HN -0.033 nan 8.190 nan 0.000 0.434 419 Y N 3.904 124.313 120.300 0.183 0.000 2.386 419 Y HA 0.724 5.273 4.550 -0.003 0.000 0.334 419 Y C -0.913 175.180 175.900 0.323 0.000 1.002 419 Y CA -1.324 56.917 58.100 0.235 0.000 1.068 419 Y CB 2.096 40.671 38.460 0.192 0.000 1.203 419 Y HN 0.355 nan 8.280 nan 0.000 0.443 420 V N 8.321 128.353 119.914 0.197 0.000 2.444 420 V HA 0.483 4.601 4.120 -0.003 0.000 0.294 420 V C -1.187 174.860 176.094 -0.078 0.000 1.022 420 V CA -0.796 61.535 62.300 0.052 0.000 0.850 420 V CB 1.034 32.986 31.823 0.216 0.000 0.992 420 V HN 0.649 nan 8.190 nan 0.000 0.426 421 Y N 1.376 121.528 120.300 -0.247 0.000 2.609 421 Y HA 0.870 5.419 4.550 -0.003 0.000 0.342 421 Y C -0.569 175.296 175.900 -0.057 0.000 1.058 421 Y CA -1.402 56.569 58.100 -0.215 0.000 1.055 421 Y CB 1.765 39.985 38.460 -0.400 0.000 1.292 421 Y HN 0.595 nan 8.280 nan 0.000 0.476 422 E N 1.708 121.992 120.200 0.141 0.000 2.272 422 E HA 0.507 4.856 4.350 -0.003 0.000 0.269 422 E C -1.316 175.374 176.600 0.151 0.000 0.877 422 E CA -1.147 55.302 56.400 0.081 0.000 0.755 422 E CB 1.280 31.024 29.700 0.073 0.000 1.192 422 E HN 0.639 nan 8.360 nan 0.000 0.422 423 R N 3.150 123.719 120.500 0.114 0.000 2.514 423 R HA 0.490 4.828 4.340 -0.003 0.000 0.301 423 R C -0.747 175.624 176.300 0.117 0.000 0.962 423 R CA -0.679 55.496 56.100 0.125 0.000 0.882 423 R CB 1.551 31.909 30.300 0.097 0.000 1.143 423 R HN 0.545 nan 8.270 nan 0.000 0.452 424 K N 2.043 122.533 120.400 0.149 0.000 2.525 424 K HA 0.463 4.781 4.320 -0.003 0.000 0.254 424 K C -1.910 174.837 176.600 0.245 0.000 0.934 424 K CA -0.609 55.775 56.287 0.162 0.000 0.802 424 K CB 1.590 34.160 32.500 0.117 0.000 1.295 424 K HN 0.416 nan 8.250 nan 0.000 0.433 425 F N 4.028 124.025 119.950 0.079 0.000 2.730 425 F HA 0.443 4.969 4.527 -0.003 0.000 0.335 425 F C 0.306 176.147 175.800 0.069 0.000 1.212 425 F CA 0.741 58.794 58.000 0.089 0.000 1.016 425 F CB 1.373 40.449 39.000 0.127 0.000 1.290 425 F HN 0.844 nan 8.300 nan 0.000 0.495 426 G N 5.842 114.425 108.800 -0.362 0.000 2.596 426 G HA2 -0.374 3.584 3.960 -0.003 0.000 0.304 426 G HA3 -0.374 3.584 3.960 -0.003 0.000 0.304 426 G C 0.775 175.652 174.900 -0.039 0.000 1.189 426 G CA 0.651 45.597 45.100 -0.257 0.000 0.986 426 G HN 0.714 nan 8.290 nan 0.000 0.548 427 K N 0.666 121.079 120.400 0.021 0.000 2.367 427 K HA 0.335 4.654 4.320 -0.003 0.000 0.194 427 K C 0.939 177.656 176.600 0.194 0.000 1.027 427 K CA 0.410 56.767 56.287 0.117 0.000 1.075 427 K CB 0.394 32.976 32.500 0.137 0.000 0.845 427 K HN 0.258 nan 8.250 nan 0.000 0.529 428 S N 1.202 116.988 115.700 0.144 0.000 2.565 428 S HA 0.265 4.733 4.470 -0.003 0.000 0.276 428 S C -0.261 174.441 174.600 0.169 0.000 1.326 428 S CA -0.454 57.830 58.200 0.139 0.000 1.045 428 S CB 1.341 64.617 63.200 0.126 0.000 0.918 428 S HN -0.104 nan 8.310 nan 0.000 0.505 429 V N 1.547 121.560 119.914 0.165 0.000 2.888 429 V HA 0.848 4.966 4.120 -0.003 0.000 0.309 429 V C -0.467 175.671 176.094 0.073 0.000 1.114 429 V CA -0.813 61.560 62.300 0.122 0.000 0.940 429 V CB 1.911 33.804 31.823 0.117 0.000 1.021 429 V HN 0.954 nan 8.190 nan 0.000 0.426 430 A N 3.297 126.137 122.820 0.034 0.000 2.422 430 A HA 0.928 5.247 4.320 -0.003 0.000 0.302 430 A C -1.381 176.176 177.584 -0.045 0.000 1.041 430 A CA -0.575 51.456 52.037 -0.011 0.000 0.708 430 A CB 2.014 20.997 19.000 -0.029 0.000 1.257 430 A HN 0.737 nan 8.150 nan 0.000 0.414 431 V N 2.250 122.130 119.914 -0.058 0.000 2.540 431 V HA 0.610 4.729 4.120 -0.003 0.000 0.302 431 V C -0.599 175.356 176.094 -0.233 0.000 1.035 431 V CA -0.516 61.739 62.300 -0.075 0.000 0.873 431 V CB 1.788 33.680 31.823 0.115 0.000 0.992 431 V HN 0.724 nan 8.190 nan 0.000 0.428 432 V N 3.322 122.923 119.914 -0.523 0.000 2.588 432 V HA 0.863 4.981 4.120 -0.003 0.000 0.304 432 V C 0.077 175.875 176.094 -0.493 0.000 1.042 432 V CA -0.551 61.363 62.300 -0.643 0.000 0.877 432 V CB 1.853 33.160 31.823 -0.861 0.000 0.996 432 V HN 1.005 nan 8.190 nan 0.000 0.425 433 A N 4.378 126.992 122.820 -0.342 0.000 2.331 433 A HA 0.917 5.235 4.320 -0.003 0.000 0.320 433 A C -1.003 176.583 177.584 0.003 0.000 1.138 433 A CA -0.561 51.439 52.037 -0.061 0.000 0.790 433 A CB 1.641 20.719 19.000 0.130 0.000 1.206 433 A HN 0.715 nan 8.150 nan 0.000 0.470 434 V N 2.690 122.692 119.914 0.146 0.000 2.638 434 V HA 0.424 4.542 4.120 -0.003 0.000 0.306 434 V C -0.697 175.517 176.094 0.200 0.000 1.052 434 V CA -0.795 61.629 62.300 0.207 0.000 0.885 434 V CB 1.998 34.046 31.823 0.375 0.000 0.999 434 V HN 0.901 nan 8.190 nan 0.000 0.424 435 N N 3.563 122.359 118.700 0.160 0.000 2.564 435 N HA 0.287 5.025 4.740 -0.003 0.000 0.248 435 N C 0.939 176.535 175.510 0.143 0.000 0.986 435 N CA -0.768 52.361 53.050 0.131 0.000 0.921 435 N CB 1.239 39.780 38.487 0.090 0.000 1.136 435 N HN 0.717 nan 8.380 nan 0.000 0.509 436 R N 2.065 122.649 120.500 0.139 0.000 2.307 436 R HA 0.076 4.414 4.340 -0.003 0.000 0.199 436 R C 0.089 176.448 176.300 0.097 0.000 1.000 436 R CA -0.002 56.188 56.100 0.150 0.000 1.023 436 R CB -0.112 30.221 30.300 0.054 0.000 0.908 436 R HN 0.281 nan 8.270 nan 0.000 0.473 437 N N 1.522 120.265 118.700 0.072 0.000 2.475 437 N HA -0.003 4.736 4.740 -0.003 0.000 0.267 437 N C 0.412 175.959 175.510 0.062 0.000 1.169 437 N CA 0.035 53.119 53.050 0.056 0.000 0.947 437 N CB 1.064 39.580 38.487 0.048 0.000 1.061 437 N HN 0.240 nan 8.380 nan 0.000 0.466 438 L N 2.390 123.648 121.223 0.058 0.000 2.509 438 L HA -0.014 4.324 4.340 -0.003 0.000 0.222 438 L C 1.781 178.678 176.870 0.045 0.000 1.123 438 L CA 0.410 55.284 54.840 0.057 0.000 0.856 438 L CB 0.021 42.115 42.059 0.058 0.000 0.985 438 L HN 0.595 nan 8.230 nan 0.000 0.456 439 S N -3.541 112.182 115.700 0.039 0.000 2.554 439 S HA 0.087 4.555 4.470 -0.003 0.000 0.227 439 S C 0.846 175.465 174.600 0.032 0.000 1.050 439 S CA 0.017 58.237 58.200 0.033 0.000 0.927 439 S CB 0.301 63.517 63.200 0.028 0.000 0.859 439 S HN 0.257 nan 8.310 nan 0.000 0.494 440 T N 2.236 116.811 114.554 0.034 0.000 2.861 440 T HA 0.637 4.986 4.350 -0.003 0.000 0.287 440 T C -0.173 174.547 174.700 0.033 0.000 1.003 440 T CA -0.188 61.931 62.100 0.032 0.000 0.977 440 T CB 1.789 70.675 68.868 0.030 0.000 0.996 440 T HN 0.378 nan 8.240 nan 0.000 0.448 441 S N 2.901 118.617 115.700 0.027 0.000 2.624 441 S HA 0.749 5.218 4.470 -0.003 0.000 0.263 441 S C 0.187 174.788 174.600 0.003 0.000 1.287 441 S CA -0.623 57.589 58.200 0.020 0.000 0.990 441 S CB 0.740 63.951 63.200 0.019 0.000 0.950 441 S HN 1.399 nan 8.310 nan 0.000 0.561 442 A N 1.111 123.912 122.820 -0.031 0.000 2.356 442 A HA 0.675 4.994 4.320 -0.003 0.000 0.310 442 A C -0.144 177.342 177.584 -0.163 0.000 1.075 442 A CA -0.771 51.224 52.037 -0.070 0.000 0.746 442 A CB 1.248 20.194 19.000 -0.089 0.000 1.221 442 A HN 0.731 nan 8.150 nan 0.000 0.443 443 S N 2.277 117.894 115.700 -0.137 0.000 2.465 443 S HA 0.430 4.899 4.470 -0.003 0.000 0.279 443 S C -0.108 174.292 174.600 -0.334 0.000 1.201 443 S CA -0.249 57.833 58.200 -0.197 0.000 1.053 443 S CB 0.074 63.222 63.200 -0.087 0.000 0.953 443 S HN 0.483 nan 8.310 nan 0.000 0.488 444 I N 4.507 124.704 120.570 -0.620 0.000 2.330 444 I HA 0.350 4.518 4.170 -0.003 0.000 0.289 444 I C 0.658 176.489 176.117 -0.476 0.000 1.001 444 I CA -0.425 60.350 61.300 -0.876 0.000 1.193 444 I CB 0.696 37.759 38.000 -1.562 0.000 1.345 444 I HN 0.612 nan 8.210 nan 0.000 0.461 445 T N 0.468 114.950 114.554 -0.120 0.000 2.893 445 T HA 0.666 5.015 4.350 -0.003 0.000 0.291 445 T C 0.623 175.421 174.700 0.163 0.000 1.028 445 T CA -0.326 61.783 62.100 0.016 0.000 0.995 445 T CB 1.993 70.896 68.868 0.058 0.000 1.051 445 T HN 1.026 nan 8.240 nan 0.000 0.470 446 G N 0.755 109.628 108.800 0.121 0.000 2.221 446 G HA2 -0.177 3.782 3.960 -0.003 0.000 0.265 446 G HA3 -0.177 3.782 3.960 -0.003 0.000 0.265 446 G C -0.186 174.841 174.900 0.212 0.000 1.041 446 G CA 0.139 45.330 45.100 0.152 0.000 0.807 446 G HN 1.133 nan 8.290 nan 0.000 0.502 447 L N 1.488 122.823 121.223 0.187 0.000 2.367 447 L HA 0.704 5.043 4.340 -0.003 0.000 0.275 447 L C 0.321 177.273 176.870 0.137 0.000 1.129 447 L CA -0.071 54.901 54.840 0.219 0.000 0.839 447 L CB 1.256 43.411 42.059 0.159 0.000 1.133 447 L HN 0.184 nan 8.230 nan 0.000 0.453 448 S N 2.830 118.609 115.700 0.131 0.000 2.532 448 S HA 0.887 5.355 4.470 -0.003 0.000 0.301 448 S C -0.228 174.410 174.600 0.063 0.000 1.083 448 S CA -0.323 57.921 58.200 0.074 0.000 1.025 448 S CB 1.759 64.998 63.200 0.066 0.000 1.056 448 S HN 0.883 nan 8.310 nan 0.000 0.494 449 T N -1.790 112.777 114.554 0.022 0.000 2.696 449 T HA 0.535 4.884 4.350 -0.003 0.000 0.291 449 T C 0.105 174.798 174.700 -0.011 0.000 1.095 449 T CA -0.714 61.389 62.100 0.006 0.000 1.026 449 T CB 1.132 69.976 68.868 -0.039 0.000 1.390 449 T HN 0.239 nan 8.240 nan 0.000 0.513 450 S N -0.054 115.635 115.700 -0.018 0.000 2.572 450 S HA 0.341 4.810 4.470 -0.003 0.000 0.228 450 S C 0.432 174.992 174.600 -0.067 0.000 0.963 450 S CA -0.493 57.695 58.200 -0.021 0.000 0.939 450 S CB -0.669 62.538 63.200 0.012 0.000 0.804 450 S HN 0.453 nan 8.310 nan 0.000 0.480 451 L N 3.949 125.098 121.223 -0.124 0.000 2.410 451 L HA 0.228 4.567 4.340 -0.003 0.000 0.273 451 L C -1.988 174.793 176.870 -0.148 0.000 1.152 451 L CA -1.875 52.836 54.840 -0.215 0.000 0.855 451 L CB 0.153 41.935 42.059 -0.462 0.000 1.129 451 L HN -0.006 nan 8.230 nan 0.000 0.463 452 P HA -0.034 nan 4.420 nan 0.000 0.269 452 P C -0.278 176.999 177.300 -0.038 0.000 1.217 452 P CA -0.283 62.696 63.100 -0.201 0.000 0.783 452 P CB 0.169 31.596 31.700 -0.455 0.000 0.898 453 T N 0.901 115.425 114.554 -0.049 0.000 2.905 453 T HA 0.398 4.747 4.350 -0.003 0.000 0.299 453 T C 0.658 175.329 174.700 -0.049 0.000 1.024 453 T CA 1.358 63.442 62.100 -0.027 0.000 1.151 453 T CB -0.410 68.434 68.868 -0.040 0.000 0.987 453 T HN 0.830 nan 8.240 nan 0.000 0.535 454 G N 1.700 110.458 108.800 -0.071 0.000 2.337 454 G HA2 0.441 4.399 3.960 -0.003 0.000 0.298 454 G HA3 0.441 4.399 3.960 -0.003 0.000 0.298 454 G C -0.996 173.697 174.900 -0.345 0.000 1.335 454 G CA -0.399 44.557 45.100 -0.240 0.000 0.875 454 G HN 0.968 nan 8.290 nan 0.000 0.579 455 S N -1.058 114.348 115.700 -0.490 0.000 2.532 455 S HA 0.848 5.316 4.470 -0.003 0.000 0.301 455 S C -1.390 172.848 174.600 -0.604 0.000 1.083 455 S CA -0.772 57.198 58.200 -0.383 0.000 1.025 455 S CB 1.921 65.000 63.200 -0.201 0.000 1.056 455 S HN 0.783 nan 8.310 nan 0.000 0.494 456 Y N 0.423 120.653 120.300 -0.117 0.000 2.391 456 Y HA 0.484 5.033 4.550 -0.003 0.000 0.341 456 Y C 0.518 176.447 175.900 0.048 0.000 0.965 456 Y CA -0.747 57.338 58.100 -0.025 0.000 1.067 456 Y CB 2.245 40.679 38.460 -0.043 0.000 1.199 456 Y HN 0.691 nan 8.280 nan 0.000 0.450 457 T N 1.682 116.375 114.554 0.231 0.000 2.889 457 T HA 0.085 4.433 4.350 -0.003 0.000 0.291 457 T C -0.560 174.319 174.700 0.299 0.000 0.995 457 T CA -0.700 61.526 62.100 0.209 0.000 1.092 457 T CB 0.673 69.605 68.868 0.106 0.000 0.954 457 T HN 0.505 nan 8.240 nan 0.000 0.506 458 D N 1.944 122.479 120.400 0.225 0.000 2.434 458 D HA 0.016 4.655 4.640 -0.003 0.000 0.252 458 D C 1.156 177.451 176.300 -0.009 0.000 1.185 458 D CA -0.161 53.860 54.000 0.034 0.000 0.886 458 D CB 0.621 41.416 40.800 -0.008 0.000 1.148 458 D HN 0.184 nan 8.370 nan 0.000 0.483 459 V N 4.532 124.411 119.914 -0.059 0.000 2.469 459 V HA -0.235 3.883 4.120 -0.003 0.000 0.251 459 V C 2.230 178.292 176.094 -0.053 0.000 1.064 459 V CA 1.361 63.635 62.300 -0.044 0.000 1.066 459 V CB -0.484 31.298 31.823 -0.067 0.000 0.667 459 V HN 0.651 nan 8.190 nan 0.000 0.461 460 L N 0.398 121.570 121.223 -0.085 0.000 2.610 460 L HA 0.181 4.519 4.340 -0.003 0.000 0.232 460 L C 1.765 178.619 176.870 -0.026 0.000 1.149 460 L CA 0.775 55.580 54.840 -0.059 0.000 0.872 460 L CB -0.789 41.223 42.059 -0.079 0.000 0.992 460 L HN 0.543 nan 8.230 nan 0.000 0.447 461 G N 0.180 108.971 108.800 -0.014 0.000 2.258 461 G HA2 -0.272 3.686 3.960 -0.003 0.000 0.274 461 G HA3 -0.272 3.686 3.960 -0.003 0.000 0.274 461 G C 1.008 175.914 174.900 0.011 0.000 1.021 461 G CA 0.410 45.514 45.100 0.006 0.000 0.798 461 G HN 0.684 nan 8.290 nan 0.000 0.507 462 G N -2.466 106.337 108.800 0.005 0.000 2.168 462 G HA2 -0.130 3.828 3.960 -0.003 0.000 0.263 462 G HA3 -0.130 3.828 3.960 -0.003 0.000 0.263 462 G C 1.807 176.715 174.900 0.014 0.000 0.977 462 G CA 1.828 46.937 45.100 0.014 0.000 0.659 462 G HN 2.210 nan 8.290 nan 0.000 0.533 463 V N -1.893 118.027 119.914 0.010 0.000 2.759 463 V HA 0.273 4.392 4.120 -0.003 0.000 0.256 463 V C 1.757 177.864 176.094 0.022 0.000 1.080 463 V CA 1.965 64.277 62.300 0.021 0.000 1.101 463 V CB -0.259 31.580 31.823 0.026 0.000 0.698 463 V HN 0.456 nan 8.190 nan 0.000 0.477 464 L N 1.589 122.817 121.223 0.009 0.000 3.108 464 L HA 0.467 4.806 4.340 -0.003 0.000 0.251 464 L C 0.475 177.356 176.870 0.019 0.000 1.315 464 L CA -0.232 54.618 54.840 0.016 0.000 1.048 464 L CB -0.557 41.504 42.059 0.003 0.000 1.432 464 L HN 0.362 nan 8.230 nan 0.000 0.543 465 N N 0.209 118.925 118.700 0.026 0.000 2.708 465 N HA -0.151 4.587 4.740 -0.003 0.000 0.251 465 N C 0.681 176.218 175.510 0.046 0.000 1.123 465 N CA 0.989 54.062 53.050 0.039 0.000 0.739 465 N CB -0.947 37.568 38.487 0.047 0.000 1.113 465 N HN 0.623 nan 8.380 nan 0.000 0.561 466 G N 0.524 109.337 108.800 0.020 0.000 2.606 466 G HA2 0.365 4.324 3.960 -0.003 0.000 0.252 466 G HA3 0.365 4.324 3.960 -0.003 0.000 0.252 466 G C 0.504 175.455 174.900 0.085 0.000 1.206 466 G CA -0.216 44.895 45.100 0.018 0.000 0.861 466 G HN 0.465 nan 8.290 nan 0.000 0.561 467 N N -0.378 118.427 118.700 0.175 0.000 2.701 467 N HA 0.265 5.003 4.740 -0.003 0.000 0.290 467 N C -1.117 174.558 175.510 0.275 0.000 1.338 467 N CA -0.900 52.257 53.050 0.179 0.000 0.799 467 N CB 1.279 39.863 38.487 0.160 0.000 1.491 467 N HN 0.333 nan 8.380 nan 0.000 0.540 468 N N -0.299 118.478 118.700 0.129 0.000 2.489 468 N HA 0.566 5.304 4.740 -0.003 0.000 0.284 468 N C -0.158 175.235 175.510 -0.196 0.000 1.158 468 N CA -0.395 52.703 53.050 0.079 0.000 0.965 468 N CB 1.534 40.046 38.487 0.041 0.000 1.195 468 N HN 0.633 nan 8.380 nan 0.000 0.506 469 I N -3.306 117.024 120.570 -0.399 0.000 3.239 469 I HA 0.657 4.825 4.170 -0.003 0.000 0.314 469 I C -0.735 175.211 176.117 -0.286 0.000 1.126 469 I CA -0.734 60.224 61.300 -0.571 0.000 0.973 469 I CB 2.386 39.659 38.000 -1.212 0.000 1.252 469 I HN 0.112 nan 8.210 nan 0.000 0.463 470 T N 1.507 115.928 114.554 -0.223 0.000 2.879 470 T HA 0.418 4.767 4.350 -0.003 0.000 0.290 470 T C -0.704 173.952 174.700 -0.073 0.000 0.993 470 T CA -0.507 61.530 62.100 -0.106 0.000 0.975 470 T CB 1.485 70.300 68.868 -0.088 0.000 0.981 470 T HN 0.690 nan 8.240 nan 0.000 0.439 471 S N 1.843 117.550 115.700 0.011 0.000 2.475 471 S HA 0.623 5.091 4.470 -0.003 0.000 0.298 471 S C -0.450 174.148 174.600 -0.002 0.000 1.119 471 S CA -0.460 57.749 58.200 0.014 0.000 1.085 471 S CB 0.651 63.911 63.200 0.100 0.000 1.028 471 S HN 0.637 nan 8.310 nan 0.000 0.489 472 T N 5.062 119.608 114.554 -0.013 0.000 3.064 472 T HA 0.351 4.700 4.350 -0.003 0.000 0.367 472 T C -0.360 174.332 174.700 -0.014 0.000 1.202 472 T CA -0.520 61.571 62.100 -0.015 0.000 1.133 472 T CB -0.263 68.597 68.868 -0.014 0.000 1.074 472 T HN 0.867 nan 8.240 nan 0.000 0.519 473 N N 2.213 120.901 118.700 -0.019 0.000 2.727 473 N HA -0.235 4.504 4.740 -0.003 0.000 0.249 473 N C 1.198 176.695 175.510 -0.021 0.000 1.048 473 N CA 1.086 54.122 53.050 -0.023 0.000 0.714 473 N CB -1.033 37.444 38.487 -0.016 0.000 0.959 473 N HN 1.066 nan 8.380 nan 0.000 0.544 474 G N -2.515 106.268 108.800 -0.027 0.000 2.317 474 G HA2 -0.321 3.637 3.960 -0.003 0.000 0.227 474 G HA3 -0.321 3.637 3.960 -0.003 0.000 0.227 474 G C 0.194 175.082 174.900 -0.019 0.000 1.042 474 G CA 0.141 45.223 45.100 -0.030 0.000 0.623 474 G HN 0.509 nan 8.290 nan 0.000 0.509 475 S N 2.051 117.747 115.700 -0.007 0.000 2.531 475 S HA 0.582 5.050 4.470 -0.003 0.000 0.279 475 S C 0.368 174.963 174.600 -0.009 0.000 1.305 475 S CA -0.141 58.063 58.200 0.006 0.000 1.058 475 S CB 0.885 64.093 63.200 0.013 0.000 0.899 475 S HN 0.364 nan 8.310 nan 0.000 0.493 476 I N 3.408 123.978 120.570 0.000 0.000 2.359 476 I HA 0.238 4.406 4.170 -0.003 0.000 0.294 476 I C 0.746 176.881 176.117 0.030 0.000 0.987 476 I CA -0.680 60.604 61.300 -0.026 0.000 1.225 476 I CB 0.630 38.595 38.000 -0.057 0.000 1.366 476 I HN 0.606 nan 8.210 nan 0.000 0.466 477 N N 4.584 123.289 118.700 0.008 0.000 2.441 477 N HA 0.024 4.763 4.740 -0.003 0.000 0.251 477 N C -0.106 175.487 175.510 0.139 0.000 1.242 477 N CA -0.360 52.716 53.050 0.043 0.000 0.898 477 N CB 0.482 38.975 38.487 0.009 0.000 1.100 477 N HN 0.454 nan 8.380 nan 0.000 0.443 478 N N 1.351 120.107 118.700 0.093 0.000 2.458 478 N HA 0.136 4.874 4.740 -0.003 0.000 0.258 478 N C -0.851 174.744 175.510 0.143 0.000 1.219 478 N CA 0.476 53.564 53.050 0.063 0.000 0.902 478 N CB 0.068 38.559 38.487 0.006 0.000 1.076 478 N HN 0.376 nan 8.380 nan 0.000 0.455 479 F N -2.356 117.544 119.950 -0.084 0.000 2.685 479 F HA 0.578 5.103 4.527 -0.003 0.000 0.315 479 F C -0.527 175.234 175.800 -0.065 0.000 1.126 479 F CA -1.114 56.845 58.000 -0.068 0.000 0.950 479 F CB 0.835 39.787 39.000 -0.080 0.000 1.360 479 F HN 0.037 nan 8.300 nan 0.000 0.469 480 T N 2.951 117.549 114.554 0.073 0.000 2.771 480 T HA 0.519 4.867 4.350 -0.003 0.000 0.281 480 T C -1.123 173.651 174.700 0.123 0.000 0.982 480 T CA -0.291 61.797 62.100 -0.019 0.000 0.978 480 T CB 1.147 70.029 68.868 0.025 0.000 0.930 480 T HN 0.661 nan 8.240 nan 0.000 0.447 481 L N 4.415 125.642 121.223 0.006 0.000 2.260 481 L HA 0.668 5.007 4.340 -0.003 0.000 0.289 481 L C 0.504 177.418 176.870 0.073 0.000 1.057 481 L CA -0.337 54.579 54.840 0.128 0.000 0.811 481 L CB -0.064 42.027 42.059 0.054 0.000 1.184 481 L HN 0.778 nan 8.230 nan 0.000 0.429 482 A N 4.471 127.349 122.820 0.097 0.000 2.386 482 A HA 0.601 4.919 4.320 -0.003 0.000 0.246 482 A C 0.491 178.111 177.584 0.061 0.000 1.089 482 A CA 0.059 52.138 52.037 0.069 0.000 0.790 482 A CB -0.081 18.962 19.000 0.071 0.000 1.042 482 A HN 1.110 nan 8.150 nan 0.000 0.497 483 A N 0.061 122.912 122.820 0.052 0.000 2.567 483 A HA 0.454 4.772 4.320 -0.003 0.000 0.240 483 A C 1.647 179.268 177.584 0.062 0.000 1.053 483 A CA 0.819 52.888 52.037 0.053 0.000 0.755 483 A CB -1.093 17.934 19.000 0.045 0.000 0.978 483 A HN 2.765 nan 8.150 nan 0.000 0.507 484 G N 0.882 109.726 108.800 0.073 0.000 2.187 484 G HA2 0.104 4.063 3.960 -0.003 0.000 0.261 484 G HA3 0.104 4.063 3.960 -0.003 0.000 0.261 484 G C 0.575 175.524 174.900 0.082 0.000 1.000 484 G CA 0.724 45.875 45.100 0.086 0.000 0.718 484 G HN 2.185 nan 8.290 nan 0.000 0.519 485 A N -0.556 122.311 122.820 0.078 0.000 2.351 485 A HA 0.856 5.174 4.320 -0.003 0.000 0.257 485 A C 0.616 178.233 177.584 0.056 0.000 1.087 485 A CA 0.979 53.055 52.037 0.064 0.000 0.798 485 A CB 1.031 20.077 19.000 0.076 0.000 1.033 485 A HN 1.853 nan 8.150 nan 0.000 0.488 486 T N -0.767 113.791 114.554 0.007 0.000 2.993 486 T HA 0.673 5.022 4.350 -0.003 0.000 0.312 486 T C -0.844 173.760 174.700 -0.161 0.000 1.115 486 T CA 0.194 62.264 62.100 -0.050 0.000 1.027 486 T CB 1.224 70.088 68.868 -0.006 0.000 1.116 486 T HN 1.963 nan 8.240 nan 0.000 0.464 487 A N 3.151 125.761 122.820 -0.350 0.000 2.435 487 A HA 0.851 5.169 4.320 -0.003 0.000 0.304 487 A C -1.169 175.827 177.584 -0.980 0.000 1.064 487 A CA -0.716 50.931 52.037 -0.649 0.000 0.727 487 A CB 2.086 20.614 19.000 -0.786 0.000 1.284 487 A HN 0.980 nan 8.150 nan 0.000 0.415 488 V N 2.253 121.623 119.914 -0.907 0.000 2.531 488 V HA 0.547 4.665 4.120 -0.003 0.000 0.301 488 V C -1.180 174.528 176.094 -0.644 0.000 1.034 488 V CA -0.506 61.382 62.300 -0.687 0.000 0.865 488 V CB 1.480 33.097 31.823 -0.343 0.000 0.995 488 V HN 0.833 nan 8.190 nan 0.000 0.424 489 W N 4.082 125.308 121.300 -0.122 0.000 2.702 489 W HA 0.732 5.391 4.660 -0.003 0.000 0.331 489 W C -0.230 176.210 176.519 -0.132 0.000 1.049 489 W CA -0.638 56.639 57.345 -0.112 0.000 1.230 489 W CB 2.045 31.386 29.460 -0.200 0.000 1.408 489 W HN 0.724 nan 8.180 nan 0.000 0.492 490 Q N 1.359 121.250 119.800 0.151 0.000 2.501 490 Q HA 0.703 5.042 4.340 -0.003 0.000 0.288 490 Q C -2.178 173.961 176.000 0.232 0.000 1.051 490 Q CA -1.132 54.731 55.803 0.101 0.000 0.788 490 Q CB 3.454 32.228 28.738 0.059 0.000 1.469 490 Q HN 0.358 nan 8.270 nan 0.000 0.416 491 Y N 0.385 120.721 120.300 0.060 0.000 2.362 491 Y HA 0.537 5.085 4.550 -0.003 0.000 0.326 491 Y C -1.763 174.181 175.900 0.073 0.000 1.083 491 Y CA -0.162 58.008 58.100 0.118 0.000 1.073 491 Y CB 2.341 40.877 38.460 0.128 0.000 1.211 491 Y HN 0.846 nan 8.280 nan 0.000 0.433 492 T N 4.115 118.341 114.554 -0.546 0.000 2.908 492 T HA 0.727 5.075 4.350 -0.003 0.000 0.290 492 T C -0.779 173.521 174.700 -0.666 0.000 1.034 492 T CA -0.747 61.091 62.100 -0.437 0.000 1.010 492 T CB 2.029 70.781 68.868 -0.195 0.000 1.068 492 T HN 0.663 nan 8.240 nan 0.000 0.481 493 T N -0.110 114.216 114.554 -0.379 0.000 2.731 493 T HA 0.668 5.017 4.350 -0.003 0.000 0.300 493 T C -1.443 173.202 174.700 -0.093 0.000 1.283 493 T CA -0.424 61.536 62.100 -0.233 0.000 1.005 493 T CB 1.064 69.832 68.868 -0.167 0.000 1.420 493 T HN 0.895 nan 8.240 nan 0.000 0.503 494 A N 1.683 124.474 122.820 -0.047 0.000 2.354 494 A HA 0.673 4.991 4.320 -0.003 0.000 0.269 494 A C -0.150 177.428 177.584 -0.011 0.000 1.109 494 A CA -0.176 51.846 52.037 -0.025 0.000 0.800 494 A CB 0.335 19.324 19.000 -0.017 0.000 1.045 494 A HN 0.681 nan 8.150 nan 0.000 0.489 495 E N 0.322 120.512 120.200 -0.016 0.000 2.266 495 E HA 0.466 4.814 4.350 -0.003 0.000 0.277 495 E C 0.614 177.205 176.600 -0.015 0.000 1.018 495 E CA 0.147 56.534 56.400 -0.022 0.000 0.840 495 E CB 1.441 31.116 29.700 -0.042 0.000 1.082 495 E HN 0.550 nan 8.360 nan 0.000 0.395 496 T N 1.152 115.703 114.554 -0.004 0.000 2.969 496 T HA 0.118 4.466 4.350 -0.003 0.000 0.250 496 T C 0.069 174.785 174.700 0.027 0.000 1.021 496 T CA 0.731 62.839 62.100 0.013 0.000 1.003 496 T CB 0.174 69.052 68.868 0.017 0.000 1.040 496 T HN 0.649 nan 8.240 nan 0.000 0.492 497 T N 1.859 116.423 114.554 0.016 0.000 2.945 497 T HA 0.618 4.966 4.350 -0.003 0.000 0.286 497 T C -3.022 171.706 174.700 0.046 0.000 1.025 497 T CA -2.183 59.941 62.100 0.039 0.000 1.039 497 T CB 1.630 70.512 68.868 0.023 0.000 1.068 497 T HN -0.101 nan 8.240 nan 0.000 0.497 498 P HA 0.256 nan 4.420 nan 0.000 0.276 498 P C -0.616 176.768 177.300 0.141 0.000 1.243 498 P CA 0.100 63.337 63.100 0.228 0.000 0.768 498 P CB 0.735 32.666 31.700 0.384 0.000 0.856 499 T N 3.848 118.451 114.554 0.082 0.000 2.991 499 T HA 0.454 4.803 4.350 -0.003 0.000 0.303 499 T C -0.403 174.421 174.700 0.207 0.000 1.015 499 T CA -0.724 61.389 62.100 0.022 0.000 1.007 499 T CB 0.215 68.903 68.868 -0.301 0.000 1.034 499 T HN 0.142 nan 8.240 nan 0.000 0.446 500 I N 4.740 125.469 120.570 0.265 0.000 2.396 500 I HA 0.343 4.512 4.170 -0.003 0.000 0.289 500 I C 1.546 177.828 176.117 0.275 0.000 1.056 500 I CA -0.093 61.364 61.300 0.261 0.000 1.365 500 I CB 1.344 39.423 38.000 0.132 0.000 1.407 500 I HN 0.909 nan 8.210 nan 0.000 0.509 501 G N 5.187 113.955 108.800 -0.054 0.000 2.608 501 G HA2 0.000 3.959 3.960 -0.003 0.000 0.210 501 G HA3 0.000 3.959 3.960 -0.003 0.000 0.210 501 G C 0.407 175.134 174.900 -0.289 0.000 1.139 501 G CA 0.349 45.147 45.100 -0.504 0.000 0.812 501 G HN 0.637 nan 8.290 nan 0.000 0.529 502 H N -1.147 117.632 119.070 -0.485 0.000 3.064 502 H HA 0.483 5.037 4.556 -0.003 0.000 0.352 502 H C -2.123 172.809 175.328 -0.661 0.000 1.260 502 H CA -0.354 55.457 56.048 -0.395 0.000 1.160 502 H CB 2.184 31.886 29.762 -0.100 0.000 1.879 502 H HN -0.103 nan 8.280 nan 0.000 0.544 503 V N 2.524 121.700 119.914 -1.230 0.000 2.531 503 V HA 0.629 4.747 4.120 -0.003 0.000 0.301 503 V C 0.215 176.039 176.094 -0.450 0.000 1.034 503 V CA -0.208 61.690 62.300 -0.670 0.000 0.865 503 V CB 1.586 33.064 31.823 -0.575 0.000 0.995 503 V HN 0.859 nan 8.190 nan 0.000 0.424 504 G N 5.059 113.802 108.800 -0.095 0.000 2.701 504 G HA2 0.749 4.707 3.960 -0.003 0.000 0.300 504 G HA3 0.749 4.707 3.960 -0.003 0.000 0.300 504 G C -3.147 171.751 174.900 -0.004 0.000 1.410 504 G CA -1.380 43.747 45.100 0.044 0.000 1.014 504 G HN 0.485 nan 8.290 nan 0.000 0.509 505 P HA 0.167 nan 4.420 nan 0.000 0.275 505 P C 0.818 178.000 177.300 -0.197 0.000 1.270 505 P CA -0.140 62.756 63.100 -0.340 0.000 0.791 505 P CB 1.315 32.332 31.700 -1.139 0.000 1.089 506 V N -3.729 116.009 119.914 -0.293 0.000 3.121 506 V HA 0.480 4.598 4.120 -0.003 0.000 0.344 506 V C 0.467 176.000 176.094 -0.934 0.000 1.390 506 V CA 0.124 62.128 62.300 -0.493 0.000 1.177 506 V CB -0.786 30.941 31.823 -0.159 0.000 1.163 506 V HN 0.446 nan 8.190 nan 0.000 0.484 507 M N 0.880 120.062 119.600 -0.697 0.000 2.371 507 M HA 0.801 5.279 4.480 -0.003 0.000 0.287 507 M C -0.570 175.605 176.300 -0.208 0.000 1.149 507 M CA 0.090 55.119 55.300 -0.451 0.000 0.929 507 M CB 2.231 34.752 32.600 -0.133 0.000 1.683 507 M HN 0.426 nan 8.290 nan 0.000 0.470 508 G N 3.026 111.789 108.800 -0.061 0.000 2.368 508 G HA2 0.358 4.316 3.960 -0.003 0.000 0.293 508 G HA3 0.358 4.316 3.960 -0.003 0.000 0.293 508 G C -2.362 172.580 174.900 0.070 0.000 1.467 508 G CA -0.989 44.152 45.100 0.068 0.000 0.804 508 G HN 0.892 nan 8.290 nan 0.000 0.535 509 K N -0.415 120.013 120.400 0.047 0.000 2.106 509 K HA 0.721 5.039 4.320 -0.003 0.000 0.246 509 K C -2.739 173.849 176.600 -0.020 0.000 0.987 509 K CA -1.735 54.562 56.287 0.017 0.000 0.904 509 K CB 1.657 34.166 32.500 0.014 0.000 1.071 509 K HN 0.157 nan 8.250 nan 0.000 0.453 510 P HA -0.061 nan 4.420 nan 0.000 0.262 510 P C 0.433 177.688 177.300 -0.075 0.000 1.182 510 P CA 1.572 64.611 63.100 -0.103 0.000 0.761 510 P CB 0.541 32.186 31.700 -0.093 0.000 0.795 511 G N 1.981 110.725 108.800 -0.093 0.000 2.254 511 G HA2 -0.204 3.755 3.960 -0.003 0.000 0.225 511 G HA3 -0.204 3.755 3.960 -0.003 0.000 0.225 511 G C 0.383 175.258 174.900 -0.042 0.000 1.003 511 G CA -0.467 44.597 45.100 -0.060 0.000 0.622 511 G HN 0.507 nan 8.290 nan 0.000 0.507 512 N N 0.238 118.919 118.700 -0.031 0.000 2.482 512 N HA 0.485 5.224 4.740 -0.003 0.000 0.260 512 N C 0.117 175.617 175.510 -0.017 0.000 1.236 512 N CA 0.020 53.068 53.050 -0.004 0.000 0.938 512 N CB 1.529 40.036 38.487 0.032 0.000 1.128 512 N HN 0.201 nan 8.380 nan 0.000 0.448 513 V N 1.764 121.674 119.914 -0.006 0.000 2.394 513 V HA 0.390 4.509 4.120 -0.003 0.000 0.282 513 V C 0.185 176.282 176.094 0.005 0.000 1.031 513 V CA -0.728 61.565 62.300 -0.011 0.000 0.881 513 V CB 1.301 33.114 31.823 -0.017 0.000 0.982 513 V HN 0.469 nan 8.190 nan 0.000 0.451 514 V N 2.158 122.081 119.914 0.016 0.000 2.919 514 V HA 0.768 4.886 4.120 -0.003 0.000 0.316 514 V C -0.136 175.947 176.094 -0.018 0.000 1.077 514 V CA -0.419 61.899 62.300 0.030 0.000 0.977 514 V CB 2.107 34.006 31.823 0.126 0.000 1.039 514 V HN 0.735 nan 8.190 nan 0.000 0.441 515 T N 4.617 119.156 114.554 -0.025 0.000 2.772 515 T HA 0.649 4.997 4.350 -0.003 0.000 0.288 515 T C -0.238 174.405 174.700 -0.095 0.000 0.994 515 T CA 0.030 62.099 62.100 -0.051 0.000 0.951 515 T CB 0.614 69.475 68.868 -0.011 0.000 0.933 515 T HN 0.616 nan 8.240 nan 0.000 0.447 516 I N 3.653 124.123 120.570 -0.167 0.000 2.321 516 I HA 0.357 4.525 4.170 -0.003 0.000 0.291 516 I C -0.162 175.898 176.117 -0.095 0.000 0.998 516 I CA -0.674 60.489 61.300 -0.228 0.000 1.227 516 I CB 1.063 38.828 38.000 -0.393 0.000 1.368 516 I HN 0.457 nan 8.210 nan 0.000 0.466 517 D N 4.537 124.892 120.400 -0.075 0.000 2.269 517 D HA 0.789 5.428 4.640 -0.003 0.000 0.244 517 D C 0.226 176.428 176.300 -0.164 0.000 0.992 517 D CA -0.058 53.907 54.000 -0.060 0.000 0.894 517 D CB 2.495 43.232 40.800 -0.105 0.000 1.248 517 D HN 0.775 nan 8.370 nan 0.000 0.468 518 G N 0.395 109.032 108.800 -0.273 0.000 2.452 518 G HA2 0.254 4.212 3.960 -0.003 0.000 0.224 518 G HA3 0.254 4.212 3.960 -0.003 0.000 0.224 518 G C -1.425 173.171 174.900 -0.507 0.000 1.208 518 G CA -0.645 44.222 45.100 -0.388 0.000 0.946 518 G HN 0.299 nan 8.290 nan 0.000 0.481 519 R N -0.743 119.418 120.500 -0.566 0.000 2.698 519 R HA 0.645 4.983 4.340 -0.003 0.000 0.275 519 R C 0.469 176.433 176.300 -0.560 0.000 1.001 519 R CA -0.049 55.794 56.100 -0.429 0.000 0.896 519 R CB 1.185 31.483 30.300 -0.003 0.000 1.218 519 R HN 2.305 nan 8.270 nan 0.000 0.462 520 G N 1.459 110.045 108.800 -0.357 0.000 2.182 520 G HA2 -0.262 3.697 3.960 -0.003 0.000 0.248 520 G HA3 -0.262 3.697 3.960 -0.003 0.000 0.248 520 G C 0.094 175.005 174.900 0.019 0.000 1.042 520 G CA 0.140 45.159 45.100 -0.134 0.000 0.775 520 G HN 0.436 nan 8.290 nan 0.000 0.501 521 F N 0.835 120.814 119.950 0.047 0.000 2.664 521 F HA 0.419 4.944 4.527 -0.003 0.000 0.296 521 F C 2.032 178.059 175.800 0.377 0.000 1.125 521 F CA 0.613 58.686 58.000 0.121 0.000 1.444 521 F CB -0.532 38.324 39.000 -0.241 0.000 1.114 521 F HN 1.048 nan 8.300 nan 0.000 0.576 522 G N 0.114 109.140 108.800 0.376 0.000 2.855 522 G HA2 -0.234 3.724 3.960 -0.003 0.000 0.352 522 G HA3 -0.234 3.724 3.960 -0.003 0.000 0.352 522 G C 0.722 175.866 174.900 0.407 0.000 1.415 522 G CA -0.068 45.220 45.100 0.313 0.000 0.871 522 G HN 0.166 nan 8.290 nan 0.000 0.543 523 S N -0.630 115.211 115.700 0.236 0.000 2.548 523 S HA 0.262 4.731 4.470 -0.003 0.000 0.215 523 S C 0.975 175.628 174.600 0.088 0.000 0.976 523 S CA 1.131 59.452 58.200 0.202 0.000 0.908 523 S CB 0.471 63.733 63.200 0.103 0.000 0.781 523 S HN 0.876 nan 8.310 nan 0.000 0.519 524 T N 3.150 117.673 114.554 -0.053 0.000 2.733 524 T HA 0.266 4.614 4.350 -0.003 0.000 0.294 524 T C -0.187 174.016 174.700 -0.828 0.000 0.956 524 T CA -0.512 61.420 62.100 -0.280 0.000 0.987 524 T CB 0.982 69.746 68.868 -0.173 0.000 0.920 524 T HN 0.187 nan 8.240 nan 0.000 0.470 525 K N 3.036 122.939 120.400 -0.829 0.000 2.466 525 K HA 0.248 4.566 4.320 -0.003 0.000 0.278 525 K C 0.881 176.793 176.600 -1.148 0.000 1.048 525 K CA -0.015 55.546 56.287 -1.210 0.000 1.088 525 K CB -0.070 32.170 32.500 -0.433 0.000 0.884 525 K HN 0.740 nan 8.250 nan 0.000 0.478 526 G N 1.946 109.597 108.800 -1.915 0.000 3.134 526 G HA2 0.279 4.237 3.960 -0.003 0.000 0.158 526 G HA3 0.279 4.237 3.960 -0.003 0.000 0.158 526 G C -0.716 173.921 174.900 -0.438 0.000 1.334 526 G CA -0.223 44.314 45.100 -0.939 0.000 1.001 526 G HN 0.627 nan 8.290 nan 0.000 0.600 527 T N -1.608 112.860 114.554 -0.143 0.000 2.876 527 T HA 0.568 4.916 4.350 -0.003 0.000 0.289 527 T C -1.096 173.544 174.700 -0.100 0.000 1.014 527 T CA -0.511 61.495 62.100 -0.156 0.000 0.986 527 T CB 1.634 70.319 68.868 -0.305 0.000 1.021 527 T HN 0.365 nan 8.240 nan 0.000 0.458 528 V N 4.657 124.459 119.914 -0.186 0.000 2.483 528 V HA 0.527 4.646 4.120 -0.003 0.000 0.295 528 V C -1.137 174.730 176.094 -0.378 0.000 1.035 528 V CA -0.761 61.407 62.300 -0.220 0.000 0.896 528 V CB 1.215 32.944 31.823 -0.155 0.000 0.986 528 V HN 0.904 nan 8.190 nan 0.000 0.447 529 Y N 3.272 123.476 120.300 -0.161 0.000 2.352 529 Y HA 0.601 5.149 4.550 -0.003 0.000 0.339 529 Y C -0.453 175.288 175.900 -0.266 0.000 0.992 529 Y CA -0.678 57.364 58.100 -0.098 0.000 1.100 529 Y CB 1.668 40.098 38.460 -0.050 0.000 1.192 529 Y HN 0.504 nan 8.280 nan 0.000 0.458 530 F N 2.526 122.512 119.950 0.060 0.000 2.325 530 F HA 0.521 5.046 4.527 -0.003 0.000 0.369 530 F C 0.974 176.895 175.800 0.201 0.000 1.095 530 F CA -0.218 57.778 58.000 -0.005 0.000 1.082 530 F CB 0.882 39.718 39.000 -0.274 0.000 1.289 530 F HN 0.808 nan 8.300 nan 0.000 0.462 531 G N 2.362 111.411 108.800 0.414 0.000 2.596 531 G HA2 -0.374 3.584 3.960 -0.003 0.000 0.304 531 G HA3 -0.374 3.584 3.960 -0.003 0.000 0.304 531 G C 1.132 176.174 174.900 0.237 0.000 1.189 531 G CA 0.648 45.963 45.100 0.358 0.000 0.986 531 G HN 0.455 nan 8.290 nan 0.000 0.548 532 T N 1.652 116.344 114.554 0.231 0.000 3.014 532 T HA 0.225 4.573 4.350 -0.003 0.000 0.263 532 T C 1.341 176.212 174.700 0.285 0.000 1.078 532 T CA 1.674 63.884 62.100 0.183 0.000 1.135 532 T CB -0.273 68.674 68.868 0.132 0.000 0.895 532 T HN 0.695 nan 8.240 nan 0.000 0.480 533 T N 3.194 117.913 114.554 0.275 0.000 2.817 533 T HA 0.491 4.840 4.350 -0.003 0.000 0.295 533 T C 0.123 174.951 174.700 0.213 0.000 0.958 533 T CA -0.503 61.723 62.100 0.209 0.000 1.157 533 T CB 0.732 69.673 68.868 0.122 0.000 0.898 533 T HN 0.260 nan 8.240 nan 0.000 0.536 534 A N 3.689 126.556 122.820 0.079 0.000 2.331 534 A HA 0.623 4.942 4.320 -0.003 0.000 0.283 534 A C -0.162 177.324 177.584 -0.163 0.000 1.142 534 A CA -0.596 51.275 52.037 -0.277 0.000 0.812 534 A CB 0.540 19.378 19.000 -0.270 0.000 1.074 534 A HN 0.685 nan 8.150 nan 0.000 0.497 535 V N 2.587 122.384 119.914 -0.195 0.000 2.487 535 V HA 0.708 4.826 4.120 -0.003 0.000 0.298 535 V C 0.253 176.280 176.094 -0.112 0.000 1.028 535 V CA 0.072 62.319 62.300 -0.088 0.000 0.860 535 V CB 1.637 33.467 31.823 0.012 0.000 0.991 535 V HN 1.220 nan 8.190 nan 0.000 0.427 536 T N 0.715 115.216 114.554 -0.087 0.000 2.812 536 T HA 0.883 5.231 4.350 -0.003 0.000 0.294 536 T C 0.420 175.082 174.700 -0.062 0.000 1.159 536 T CA 0.105 62.152 62.100 -0.088 0.000 1.008 536 T CB 1.665 70.469 68.868 -0.107 0.000 1.289 536 T HN 1.781 nan 8.240 nan 0.000 0.514 537 G N 1.039 109.797 108.800 -0.069 0.000 2.556 537 G HA2 -0.013 3.946 3.960 -0.003 0.000 0.283 537 G HA3 -0.013 3.946 3.960 -0.003 0.000 0.283 537 G C 1.231 176.111 174.900 -0.034 0.000 1.177 537 G CA 1.027 46.093 45.100 -0.056 0.000 0.978 537 G HN 1.856 nan 8.290 nan 0.000 0.554 538 A N -0.203 122.598 122.820 -0.031 0.000 2.015 538 A HA 0.394 4.712 4.320 -0.003 0.000 0.219 538 A C 2.926 180.498 177.584 -0.020 0.000 1.163 538 A CA 3.005 55.029 52.037 -0.022 0.000 0.646 538 A CB -0.879 18.107 19.000 -0.024 0.000 0.806 538 A HN 2.264 nan 8.150 nan 0.000 0.448 539 A N -0.225 122.580 122.820 -0.026 0.000 2.019 539 A HA 0.084 4.402 4.320 -0.003 0.000 0.219 539 A C 1.037 178.613 177.584 -0.013 0.000 1.164 539 A CA 0.621 52.640 52.037 -0.030 0.000 0.644 539 A CB -0.455 18.519 19.000 -0.043 0.000 0.805 539 A HN 0.468 nan 8.150 nan 0.000 0.449 540 I N 1.387 121.961 120.570 0.007 0.000 2.308 540 I HA 0.036 4.204 4.170 -0.003 0.000 0.293 540 I C 1.781 177.921 176.117 0.039 0.000 1.078 540 I CA 0.204 61.530 61.300 0.043 0.000 1.292 540 I CB 1.242 39.307 38.000 0.108 0.000 1.423 540 I HN 0.364 nan 8.210 nan 0.000 0.493 541 T N 1.022 115.589 114.554 0.022 0.000 2.942 541 T HA 0.014 4.363 4.350 -0.003 0.000 0.265 541 T C 0.676 175.396 174.700 0.034 0.000 1.062 541 T CA 0.608 62.717 62.100 0.016 0.000 1.139 541 T CB 0.026 68.893 68.868 -0.002 0.000 0.883 541 T HN 0.606 nan 8.240 nan 0.000 0.468 542 S N -1.024 114.707 115.700 0.052 0.000 2.550 542 S HA 0.564 5.032 4.470 -0.003 0.000 0.270 542 S C -2.139 172.544 174.600 0.139 0.000 1.145 542 S CA -1.079 57.170 58.200 0.081 0.000 0.852 542 S CB 1.735 64.959 63.200 0.040 0.000 1.119 542 S HN 0.468 nan 8.310 nan 0.000 0.465 543 W N 3.085 124.375 121.300 -0.017 0.000 3.036 543 W HA 0.488 5.146 4.660 -0.003 0.000 0.337 543 W C -1.268 175.270 176.519 0.032 0.000 1.055 543 W CA -0.433 56.908 57.345 -0.006 0.000 1.248 543 W CB 1.535 30.977 29.460 -0.029 0.000 1.335 543 W HN 1.151 nan 8.180 nan 0.000 0.446 544 E N 1.519 121.784 120.200 0.109 0.000 2.446 544 E HA 0.258 4.607 4.350 -0.003 0.000 0.269 544 E C -0.283 176.393 176.600 0.126 0.000 0.977 544 E CA -0.602 55.909 56.400 0.185 0.000 0.854 544 E CB 1.564 31.321 29.700 0.095 0.000 1.545 544 E HN 0.125 nan 8.360 nan 0.000 0.448 545 D N -0.105 120.363 120.400 0.113 0.000 2.149 545 D HA -0.153 4.485 4.640 -0.003 0.000 0.198 545 D C 1.651 177.850 176.300 -0.169 0.000 0.990 545 D CA 2.530 56.553 54.000 0.038 0.000 0.839 545 D CB 0.110 40.915 40.800 0.007 0.000 0.948 545 D HN 0.558 nan 8.370 nan 0.000 0.460 546 T N -3.544 110.939 114.554 -0.120 0.000 3.054 546 T HA 0.153 4.502 4.350 -0.003 0.000 0.255 546 T C 0.494 175.170 174.700 -0.039 0.000 1.035 546 T CA -0.499 61.478 62.100 -0.205 0.000 0.941 546 T CB 0.390 69.186 68.868 -0.121 0.000 1.026 546 T HN 0.116 nan 8.240 nan 0.000 0.533 547 Q N 0.216 120.061 119.800 0.075 0.000 2.295 547 Q HA 0.619 4.957 4.340 -0.003 0.000 0.268 547 Q C -2.128 173.810 176.000 -0.103 0.000 1.010 547 Q CA -0.795 55.028 55.803 0.032 0.000 0.856 547 Q CB 1.935 30.660 28.738 -0.023 0.000 1.349 547 Q HN 0.446 nan 8.270 nan 0.000 0.412 548 I N 2.914 123.336 120.570 -0.248 0.000 2.509 548 I HA 0.472 4.641 4.170 -0.003 0.000 0.293 548 I C -0.686 175.311 176.117 -0.199 0.000 1.020 548 I CA -0.776 60.304 61.300 -0.366 0.000 1.088 548 I CB 2.031 39.575 38.000 -0.759 0.000 1.267 548 I HN 0.361 nan 8.210 nan 0.000 0.430 549 K N 5.142 125.478 120.400 -0.107 0.000 2.274 549 K HA 0.702 5.021 4.320 -0.003 0.000 0.262 549 K C -1.396 175.179 176.600 -0.043 0.000 0.961 549 K CA -0.671 55.575 56.287 -0.067 0.000 0.833 549 K CB 2.893 35.370 32.500 -0.038 0.000 1.102 549 K HN 0.326 nan 8.250 nan 0.000 0.436 550 V N 2.231 122.123 119.914 -0.037 0.000 2.841 550 V HA 0.326 4.445 4.120 -0.003 0.000 0.310 550 V C -0.757 175.327 176.094 -0.016 0.000 1.090 550 V CA -0.446 61.849 62.300 -0.009 0.000 0.930 550 V CB 2.443 34.272 31.823 0.009 0.000 1.014 550 V HN 0.793 nan 8.190 nan 0.000 0.425 551 T N 7.113 121.643 114.554 -0.041 0.000 2.851 551 T HA 0.431 4.780 4.350 -0.003 0.000 0.298 551 T C 0.214 174.794 174.700 -0.199 0.000 0.977 551 T CA 0.162 62.209 62.100 -0.088 0.000 1.126 551 T CB 0.275 69.097 68.868 -0.076 0.000 0.916 551 T HN 0.513 nan 8.240 nan 0.000 0.529 552 I N 6.878 127.281 120.570 -0.279 0.000 2.587 552 I HA 0.121 4.289 4.170 -0.003 0.000 0.284 552 I C -1.497 174.345 176.117 -0.458 0.000 1.134 552 I CA -1.824 59.138 61.300 -0.565 0.000 1.410 552 I CB 0.428 38.207 38.000 -0.367 0.000 1.392 552 I HN 0.370 nan 8.210 nan 0.000 0.545 553 P HA 0.026 nan 4.420 nan 0.000 0.272 553 P C -0.642 176.497 177.300 -0.268 0.000 1.223 553 P CA -0.375 62.520 63.100 -0.343 0.000 0.784 553 P CB 0.594 32.104 31.700 -0.317 0.000 0.923 554 S N 0.774 116.377 115.700 -0.162 0.000 3.065 554 S HA 0.282 4.750 4.470 -0.003 0.000 0.311 554 S C 0.595 175.139 174.600 -0.093 0.000 1.204 554 S CA -0.486 57.648 58.200 -0.111 0.000 1.040 554 S CB -1.035 62.124 63.200 -0.068 0.000 1.436 554 S HN 0.355 nan 8.310 nan 0.000 0.532 555 V N -0.271 119.572 119.914 -0.117 0.000 3.126 555 V HA 0.956 5.074 4.120 -0.003 0.000 0.314 555 V C 0.204 176.302 176.094 0.007 0.000 1.138 555 V CA -1.776 60.487 62.300 -0.061 0.000 1.034 555 V CB 1.032 32.773 31.823 -0.137 0.000 1.075 555 V HN 0.557 nan 8.190 nan 0.000 0.442 556 A N 1.153 124.035 122.820 0.103 0.000 2.540 556 A HA 0.622 4.941 4.320 -0.003 0.000 0.239 556 A C 0.880 178.593 177.584 0.215 0.000 1.061 556 A CA 0.383 52.506 52.037 0.143 0.000 0.758 556 A CB -0.538 18.558 19.000 0.159 0.000 0.991 556 A HN 2.287 nan 8.150 nan 0.000 0.502 557 A N 2.066 124.979 122.820 0.156 0.000 2.565 557 A HA 0.535 4.853 4.320 -0.003 0.000 0.237 557 A C 1.024 178.755 177.584 0.244 0.000 1.053 557 A CA 0.932 53.078 52.037 0.181 0.000 0.755 557 A CB -0.319 18.743 19.000 0.105 0.000 0.980 557 A HN 2.617 nan 8.150 nan 0.000 0.506 558 G N 0.836 109.826 108.800 0.317 0.000 2.323 558 G HA2 0.343 4.301 3.960 -0.003 0.000 0.291 558 G HA3 0.343 4.301 3.960 -0.003 0.000 0.291 558 G C -1.148 173.872 174.900 0.201 0.000 1.278 558 G CA -0.351 44.847 45.100 0.164 0.000 0.860 558 G HN 1.007 nan 8.290 nan 0.000 0.504 559 N N -0.667 118.020 118.700 -0.022 0.000 2.419 559 N HA 0.692 5.430 4.740 -0.003 0.000 0.277 559 N C -1.405 174.031 175.510 -0.123 0.000 1.006 559 N CA -0.329 52.746 53.050 0.042 0.000 0.923 559 N CB 0.769 39.254 38.487 -0.004 0.000 1.140 559 N HN 0.451 nan 8.380 nan 0.000 0.488 560 Y N 0.980 121.409 120.300 0.215 0.000 2.536 560 Y HA 0.676 5.224 4.550 -0.003 0.000 0.347 560 Y C -0.047 175.970 175.900 0.195 0.000 1.000 560 Y CA -1.124 57.107 58.100 0.219 0.000 1.051 560 Y CB 2.076 40.724 38.460 0.313 0.000 1.259 560 Y HN 0.563 nan 8.280 nan 0.000 0.468 561 A N 1.632 124.606 122.820 0.258 0.000 2.312 561 A HA 0.758 5.077 4.320 -0.003 0.000 0.326 561 A C -1.232 176.406 177.584 0.090 0.000 1.172 561 A CA -0.627 51.508 52.037 0.163 0.000 0.821 561 A CB 0.619 19.671 19.000 0.087 0.000 1.166 561 A HN 0.499 nan 8.150 nan 0.000 0.493 562 V N 2.121 122.033 119.914 -0.003 0.000 2.472 562 V HA 0.557 4.676 4.120 -0.003 0.000 0.290 562 V C 0.168 176.188 176.094 -0.123 0.000 1.037 562 V CA -0.418 61.723 62.300 -0.266 0.000 0.908 562 V CB 1.475 33.016 31.823 -0.469 0.000 0.985 562 V HN 0.955 nan 8.190 nan 0.000 0.454 563 K N 2.656 122.978 120.400 -0.129 0.000 2.502 563 K HA 0.771 5.090 4.320 -0.003 0.000 0.257 563 K C -1.902 174.700 176.600 0.004 0.000 0.938 563 K CA -0.520 55.758 56.287 -0.015 0.000 0.819 563 K CB 2.551 35.071 32.500 0.033 0.000 1.333 563 K HN 0.436 nan 8.250 nan 0.000 0.434 564 V N 1.906 121.816 119.914 -0.006 0.000 2.581 564 V HA 0.755 4.873 4.120 -0.003 0.000 0.303 564 V C -0.845 175.342 176.094 0.155 0.000 1.041 564 V CA -0.689 61.599 62.300 -0.019 0.000 0.907 564 V CB 1.631 33.259 31.823 -0.325 0.000 0.994 564 V HN 0.898 nan 8.190 nan 0.000 0.442 565 A N 3.693 126.659 122.820 0.244 0.000 2.319 565 A HA 0.916 5.234 4.320 -0.003 0.000 0.310 565 A C -0.342 177.384 177.584 0.238 0.000 1.152 565 A CA -0.313 51.868 52.037 0.241 0.000 0.783 565 A CB 1.318 20.491 19.000 0.288 0.000 1.184 565 A HN 1.320 nan 8.150 nan 0.000 0.474 566 A N 1.844 124.803 122.820 0.231 0.000 2.335 566 A HA 0.684 5.002 4.320 -0.003 0.000 0.304 566 A C 0.495 178.148 177.584 0.116 0.000 1.118 566 A CA 0.017 52.185 52.037 0.217 0.000 0.757 566 A CB 0.129 19.364 19.000 0.391 0.000 1.188 566 A HN 2.043 nan 8.150 nan 0.000 0.460 567 S N 1.290 117.013 115.700 0.037 0.000 3.682 567 S HA -0.127 4.341 4.470 -0.003 0.000 0.354 567 S C 1.412 176.033 174.600 0.034 0.000 1.034 567 S CA 1.599 59.812 58.200 0.021 0.000 1.084 567 S CB -1.710 61.510 63.200 0.033 0.000 0.903 567 S HN 2.806 nan 8.310 nan 0.000 0.470 568 G N -1.706 107.118 108.800 0.040 0.000 2.168 568 G HA2 -0.299 3.659 3.960 -0.003 0.000 0.263 568 G HA3 -0.299 3.659 3.960 -0.003 0.000 0.263 568 G C 0.099 175.033 174.900 0.056 0.000 0.977 568 G CA 0.170 45.298 45.100 0.047 0.000 0.659 568 G HN 1.449 nan 8.290 nan 0.000 0.533 569 V N 0.771 120.729 119.914 0.072 0.000 2.394 569 V HA 0.493 4.611 4.120 -0.003 0.000 0.282 569 V C 0.158 176.309 176.094 0.095 0.000 1.031 569 V CA -1.351 60.990 62.300 0.070 0.000 0.881 569 V CB 1.614 33.477 31.823 0.068 0.000 0.982 569 V HN 0.251 nan 8.190 nan 0.000 0.451 570 N N 2.614 121.356 118.700 0.069 0.000 2.514 570 N HA 0.338 5.076 4.740 -0.003 0.000 0.277 570 N C 0.330 175.877 175.510 0.061 0.000 1.126 570 N CA -0.039 53.050 53.050 0.066 0.000 0.978 570 N CB 1.417 39.909 38.487 0.008 0.000 1.106 570 N HN 0.912 nan 8.380 nan 0.000 0.461 571 S N 1.443 117.189 115.700 0.077 0.000 2.652 571 S HA 0.283 4.751 4.470 -0.003 0.000 0.267 571 S C 0.307 174.933 174.600 0.044 0.000 1.201 571 S CA -0.951 57.293 58.200 0.073 0.000 0.996 571 S CB 0.354 63.621 63.200 0.113 0.000 1.054 571 S HN 0.628 nan 8.310 nan 0.000 0.561 572 N N 0.632 119.359 118.700 0.044 0.000 2.416 572 N HA 0.235 4.973 4.740 -0.003 0.000 0.246 572 N C -0.307 175.241 175.510 0.063 0.000 1.260 572 N CA -0.117 52.959 53.050 0.042 0.000 0.897 572 N CB 0.159 38.674 38.487 0.047 0.000 1.110 572 N HN 0.886 nan 8.380 nan 0.000 0.439 573 A N 1.076 123.926 122.820 0.051 0.000 2.327 573 A HA 0.293 4.612 4.320 -0.003 0.000 0.283 573 A C -1.122 176.529 177.584 0.112 0.000 1.127 573 A CA -0.643 51.431 52.037 0.062 0.000 0.810 573 A CB 0.052 19.070 19.000 0.031 0.000 1.066 573 A HN 0.739 nan 8.150 nan 0.000 0.492 574 Y N 3.537 123.833 120.300 -0.006 0.000 2.385 574 Y HA 0.252 4.801 4.550 -0.003 0.000 0.341 574 Y C 0.170 176.094 175.900 0.040 0.000 0.965 574 Y CA -0.600 57.508 58.100 0.014 0.000 1.180 574 Y CB 0.559 39.011 38.460 -0.013 0.000 1.139 574 Y HN 0.742 nan 8.280 nan 0.000 0.502 575 N N 3.839 122.487 118.700 -0.085 0.000 2.424 575 N HA 0.083 4.821 4.740 -0.003 0.000 0.257 575 N C -0.502 175.034 175.510 0.043 0.000 1.250 575 N CA 0.068 53.115 53.050 -0.006 0.000 0.946 575 N CB 0.336 38.793 38.487 -0.050 0.000 1.175 575 N HN 0.792 nan 8.380 nan 0.000 0.477 576 N N -0.768 117.989 118.700 0.096 0.000 2.756 576 N HA -0.240 4.499 4.740 -0.003 0.000 0.248 576 N C -1.322 174.281 175.510 0.155 0.000 1.062 576 N CA 0.168 53.277 53.050 0.098 0.000 0.696 576 N CB -1.392 37.111 38.487 0.027 0.000 0.946 576 N HN 0.396 nan 8.380 nan 0.000 0.548 577 F N 1.158 121.204 119.950 0.160 0.000 2.420 577 F HA 0.299 4.825 4.527 -0.003 0.000 0.352 577 F C 0.575 176.503 175.800 0.213 0.000 1.108 577 F CA -0.131 57.986 58.000 0.195 0.000 1.162 577 F CB 0.875 40.027 39.000 0.252 0.000 1.118 577 F HN -0.071 nan 8.300 nan 0.000 0.510 578 T N 7.915 122.315 114.554 -0.256 0.000 2.733 578 T HA 0.437 4.785 4.350 -0.003 0.000 0.294 578 T C 0.126 174.854 174.700 0.047 0.000 0.956 578 T CA -0.276 61.809 62.100 -0.025 0.000 0.987 578 T CB 0.187 69.002 68.868 -0.089 0.000 0.920 578 T HN 0.357 nan 8.240 nan 0.000 0.470 579 I N 4.415 125.158 120.570 0.288 0.000 2.331 579 I HA 0.340 4.508 4.170 -0.003 0.000 0.292 579 I C 0.148 176.343 176.117 0.130 0.000 0.998 579 I CA -0.744 60.683 61.300 0.212 0.000 1.267 579 I CB 1.095 39.173 38.000 0.130 0.000 1.386 579 I HN 0.359 nan 8.210 nan 0.000 0.476 580 L N 4.999 126.265 121.223 0.073 0.000 2.439 580 L HA 0.297 4.636 4.340 -0.003 0.000 0.259 580 L C 1.483 178.380 176.870 0.046 0.000 1.129 580 L CA -0.305 54.566 54.840 0.052 0.000 0.803 580 L CB 1.021 43.101 42.059 0.034 0.000 1.161 580 L HN 0.586 nan 8.230 nan 0.000 0.462 581 T N -0.021 114.559 114.554 0.043 0.000 2.904 581 T HA 0.125 4.473 4.350 -0.003 0.000 0.267 581 T C 0.579 175.294 174.700 0.026 0.000 1.059 581 T CA 1.054 63.177 62.100 0.038 0.000 1.137 581 T CB 0.084 68.977 68.868 0.041 0.000 0.879 581 T HN 0.890 nan 8.240 nan 0.000 0.467 582 G N 0.093 108.907 108.800 0.024 0.000 2.392 582 G HA2 0.264 4.222 3.960 -0.003 0.000 0.260 582 G HA3 0.264 4.222 3.960 -0.003 0.000 0.260 582 G C -2.094 172.817 174.900 0.019 0.000 1.226 582 G CA -0.868 44.243 45.100 0.018 0.000 0.913 582 G HN 0.021 nan 8.290 nan 0.000 0.483 583 D N 1.166 121.576 120.400 0.017 0.000 2.449 583 D HA 0.301 4.939 4.640 -0.003 0.000 0.236 583 D C 0.087 176.401 176.300 0.024 0.000 1.149 583 D CA 0.611 54.621 54.000 0.017 0.000 0.878 583 D CB 0.807 41.617 40.800 0.017 0.000 1.198 583 D HN 0.207 nan 8.370 nan 0.000 0.446 584 Q N 0.490 120.301 119.800 0.019 0.000 2.266 584 Q HA 0.555 4.893 4.340 -0.003 0.000 0.261 584 Q C -0.121 175.907 176.000 0.047 0.000 0.985 584 Q CA -0.921 54.900 55.803 0.030 0.000 0.873 584 Q CB 2.214 30.955 28.738 0.006 0.000 1.306 584 Q HN 0.343 nan 8.270 nan 0.000 0.447 585 V N -1.869 118.092 119.914 0.078 0.000 3.102 585 V HA 0.763 4.881 4.120 -0.003 0.000 0.312 585 V C -0.366 175.811 176.094 0.138 0.000 1.135 585 V CA -0.854 61.511 62.300 0.109 0.000 1.022 585 V CB 2.041 33.934 31.823 0.118 0.000 1.056 585 V HN 0.680 nan 8.190 nan 0.000 0.436 586 T N 1.814 116.478 114.554 0.183 0.000 2.771 586 T HA 0.695 5.043 4.350 -0.003 0.000 0.281 586 T C -0.452 174.371 174.700 0.204 0.000 0.982 586 T CA -0.343 61.888 62.100 0.219 0.000 0.978 586 T CB 1.320 70.377 68.868 0.317 0.000 0.930 586 T HN 0.714 nan 8.240 nan 0.000 0.447 587 V N 3.655 123.681 119.914 0.187 0.000 2.495 587 V HA 0.489 4.607 4.120 -0.003 0.000 0.298 587 V C 0.258 176.400 176.094 0.080 0.000 1.031 587 V CA -1.095 61.231 62.300 0.043 0.000 0.871 587 V CB 1.797 33.539 31.823 -0.134 0.000 0.988 587 V HN 0.748 nan 8.190 nan 0.000 0.432 588 R N 3.609 124.117 120.500 0.013 0.000 2.216 588 R HA 0.421 4.759 4.340 -0.003 0.000 0.332 588 R C -1.391 174.883 176.300 -0.043 0.000 1.056 588 R CA -0.291 55.886 56.100 0.129 0.000 0.901 588 R CB 0.343 30.734 30.300 0.152 0.000 1.039 588 R HN 0.506 nan 8.270 nan 0.000 0.456 589 F N 4.108 124.107 119.950 0.082 0.000 2.410 589 F HA 0.319 4.844 4.527 -0.003 0.000 0.349 589 F C -0.056 175.868 175.800 0.207 0.000 1.117 589 F CA -0.481 57.566 58.000 0.077 0.000 1.104 589 F CB 1.730 40.780 39.000 0.083 0.000 1.122 589 F HN 0.112 nan 8.300 nan 0.000 0.483 590 V N 4.674 124.719 119.914 0.219 0.000 2.540 590 V HA 0.561 4.679 4.120 -0.003 0.000 0.302 590 V C -0.912 175.191 176.094 0.016 0.000 1.035 590 V CA -0.912 61.429 62.300 0.069 0.000 0.873 590 V CB 2.036 33.735 31.823 -0.207 0.000 0.992 590 V HN 0.508 nan 8.190 nan 0.000 0.428 591 V N 5.643 125.495 119.914 -0.102 0.000 2.531 591 V HA 0.599 4.718 4.120 -0.003 0.000 0.301 591 V C -0.496 175.557 176.094 -0.068 0.000 1.034 591 V CA -0.496 61.674 62.300 -0.217 0.000 0.865 591 V CB 1.919 33.239 31.823 -0.838 0.000 0.995 591 V HN 0.924 nan 8.190 nan 0.000 0.424 592 N N 4.840 123.530 118.700 -0.016 0.000 2.495 592 N HA 0.396 5.134 4.740 -0.003 0.000 0.280 592 N C 0.135 175.681 175.510 0.060 0.000 1.168 592 N CA -0.153 52.906 53.050 0.015 0.000 0.978 592 N CB 0.719 39.213 38.487 0.011 0.000 1.191 592 N HN 0.789 nan 8.380 nan 0.000 0.497 593 N N -1.054 117.657 118.700 0.018 0.000 2.754 593 N HA -0.184 4.555 4.740 -0.003 0.000 0.248 593 N C -0.933 174.559 175.510 -0.029 0.000 1.093 593 N CA 0.567 53.618 53.050 0.002 0.000 0.699 593 N CB -1.257 37.269 38.487 0.066 0.000 1.016 593 N HN 0.647 nan 8.380 nan 0.000 0.552 594 A N 0.114 122.894 122.820 -0.067 0.000 2.774 594 A HA 0.489 4.808 4.320 -0.003 0.000 0.326 594 A C 0.546 178.012 177.584 -0.195 0.000 1.478 594 A CA -0.221 51.630 52.037 -0.311 0.000 1.099 594 A CB 0.402 19.186 19.000 -0.360 0.000 1.148 594 A HN 0.161 nan 8.150 nan 0.000 0.519 595 S N 1.242 116.799 115.700 -0.237 0.000 2.576 595 S HA 0.559 5.028 4.470 -0.003 0.000 0.276 595 S C 0.801 175.404 174.600 0.005 0.000 1.339 595 S CA 0.257 58.433 58.200 -0.039 0.000 1.039 595 S CB 0.800 63.983 63.200 -0.028 0.000 0.902 595 S HN 0.929 nan 8.310 nan 0.000 0.516 596 T N -0.638 114.064 114.554 0.246 0.000 2.865 596 T HA 0.591 4.940 4.350 -0.003 0.000 0.294 596 T C -0.107 174.662 174.700 0.114 0.000 1.119 596 T CA -0.810 61.367 62.100 0.128 0.000 1.007 596 T CB 1.294 70.285 68.868 0.204 0.000 1.225 596 T HN 0.362 nan 8.240 nan 0.000 0.515 597 T N 1.065 115.654 114.554 0.058 0.000 2.847 597 T HA 0.499 4.847 4.350 -0.003 0.000 0.279 597 T C -0.090 174.630 174.700 0.033 0.000 0.984 597 T CA -0.563 61.562 62.100 0.041 0.000 0.988 597 T CB 0.546 69.433 68.868 0.030 0.000 1.040 597 T HN 0.646 nan 8.240 nan 0.000 0.528 598 L N 2.082 123.315 121.223 0.018 0.000 2.462 598 L HA 0.437 4.776 4.340 -0.003 0.000 0.272 598 L C 1.253 178.137 176.870 0.023 0.000 1.166 598 L CA 1.482 56.326 54.840 0.008 0.000 0.880 598 L CB -0.235 41.825 42.059 0.001 0.000 1.142 598 L HN 0.906 nan 8.230 nan 0.000 0.473 599 G N 2.726 111.543 108.800 0.028 0.000 2.148 599 G HA2 -0.322 3.636 3.960 -0.003 0.000 0.254 599 G HA3 -0.322 3.636 3.960 -0.003 0.000 0.254 599 G C 0.254 175.191 174.900 0.061 0.000 0.981 599 G CA 0.470 45.596 45.100 0.043 0.000 0.670 599 G HN 0.820 nan 8.290 nan 0.000 0.528 600 Q N -0.040 119.799 119.800 0.065 0.000 2.257 600 Q HA 0.586 4.924 4.340 -0.003 0.000 0.255 600 Q C 0.108 176.150 176.000 0.070 0.000 0.920 600 Q CA -0.532 55.307 55.803 0.060 0.000 0.927 600 Q CB 0.470 29.230 28.738 0.037 0.000 1.229 600 Q HN 0.486 nan 8.270 nan 0.000 0.433 601 N N 1.985 120.708 118.700 0.039 0.000 2.432 601 N HA 0.508 5.246 4.740 -0.003 0.000 0.292 601 N C -1.673 173.599 175.510 -0.397 0.000 1.193 601 N CA -0.645 52.346 53.050 -0.099 0.000 0.878 601 N CB 1.184 39.608 38.487 -0.105 0.000 1.252 601 N HN 0.392 nan 8.380 nan 0.000 0.520 602 L N 1.909 122.613 121.223 -0.864 0.000 2.309 602 L HA 0.507 4.845 4.340 -0.003 0.000 0.282 602 L C -1.485 174.849 176.870 -0.894 0.000 1.036 602 L CA -0.153 54.150 54.840 -0.895 0.000 0.806 602 L CB 0.451 41.664 42.059 -1.411 0.000 1.220 602 L HN 0.538 nan 8.230 nan 0.000 0.429 603 Y N 3.681 123.565 120.300 -0.695 0.000 2.634 603 Y HA 0.712 5.261 4.550 -0.002 0.000 0.340 603 Y C -0.894 174.600 175.900 -0.677 0.000 1.058 603 Y CA -0.951 56.665 58.100 -0.807 0.000 1.081 603 Y CB 1.910 39.596 38.460 -1.290 0.000 1.295 603 Y HN 0.421 nan 8.280 nan 0.000 0.487 604 L N 0.748 121.752 121.223 -0.365 0.000 2.408 604 L HA 0.854 5.193 4.340 -0.003 0.000 0.268 604 L C -0.641 176.117 176.870 -0.187 0.000 0.986 604 L CA 0.046 54.613 54.840 -0.455 0.000 0.820 604 L CB 2.171 43.774 42.059 -0.761 0.000 1.303 604 L HN 0.718 nan 8.230 nan 0.000 0.411 605 T N 2.236 116.765 114.554 -0.042 0.000 2.778 605 T HA 0.969 5.318 4.350 -0.003 0.000 0.293 605 T C -0.666 173.843 174.700 -0.317 0.000 1.144 605 T CA -0.038 62.024 62.100 -0.064 0.000 1.010 605 T CB 1.544 70.539 68.868 0.211 0.000 1.325 605 T HN 1.179 nan 8.240 nan 0.000 0.515 606 G N 0.956 109.323 108.800 -0.722 0.000 2.427 606 G HA2 0.305 4.263 3.960 -0.003 0.000 0.306 606 G HA3 0.305 4.263 3.960 -0.003 0.000 0.306 606 G C -0.803 173.317 174.900 -1.300 0.000 1.280 606 G CA -0.023 44.365 45.100 -1.186 0.000 0.837 606 G HN 0.802 nan 8.290 nan 0.000 0.482 607 N N -0.540 117.708 118.700 -0.752 0.000 2.295 607 N HA 0.183 4.921 4.740 -0.003 0.000 0.221 607 N C 0.271 175.709 175.510 -0.120 0.000 1.129 607 N CA 0.453 53.285 53.050 -0.363 0.000 0.836 607 N CB 0.361 38.934 38.487 0.143 0.000 1.040 607 N HN 0.967 nan 8.380 nan 0.000 0.494 608 V N -4.595 115.237 119.914 -0.137 0.000 3.001 608 V HA 0.805 4.924 4.120 -0.003 0.000 0.314 608 V C 1.299 177.361 176.094 -0.053 0.000 1.099 608 V CA -0.698 61.578 62.300 -0.041 0.000 0.989 608 V CB 1.035 32.858 31.823 -0.000 0.000 1.040 608 V HN -0.046 nan 8.190 nan 0.000 0.434 609 A N 0.229 123.047 122.820 -0.005 0.000 1.978 609 A HA -0.104 4.215 4.320 -0.003 0.000 0.220 609 A C 1.706 179.282 177.584 -0.013 0.000 1.170 609 A CA 2.030 54.068 52.037 0.002 0.000 0.636 609 A CB -0.749 18.276 19.000 0.043 0.000 0.810 609 A HN 1.037 nan 8.150 nan 0.000 0.448 610 E N -0.258 119.936 120.200 -0.010 0.000 2.265 610 E HA -0.070 4.279 4.350 -0.003 0.000 0.196 610 E C 1.417 177.986 176.600 -0.051 0.000 0.996 610 E CA 0.816 57.208 56.400 -0.013 0.000 0.832 610 E CB -0.189 29.517 29.700 0.010 0.000 0.756 610 E HN 0.655 nan 8.360 nan 0.000 0.491 611 L N -1.545 119.619 121.223 -0.098 0.000 2.640 611 L HA 0.296 4.634 4.340 -0.003 0.000 0.230 611 L C 1.106 177.892 176.870 -0.140 0.000 1.123 611 L CA 0.287 55.027 54.840 -0.167 0.000 0.900 611 L CB 0.387 42.293 42.059 -0.254 0.000 1.146 611 L HN 0.325 nan 8.230 nan 0.000 0.484 612 G N -0.270 108.475 108.800 -0.092 0.000 2.163 612 G HA2 -0.265 3.693 3.960 -0.003 0.000 0.213 612 G HA3 -0.265 3.693 3.960 -0.003 0.000 0.213 612 G C 0.279 175.151 174.900 -0.047 0.000 0.991 612 G CA -0.137 44.934 45.100 -0.049 0.000 0.653 612 G HN 0.309 nan 8.290 nan 0.000 0.518 613 N N -0.822 117.809 118.700 -0.116 0.000 2.688 613 N HA -0.216 4.523 4.740 -0.003 0.000 0.258 613 N C 0.864 176.395 175.510 0.035 0.000 1.016 613 N CA 1.805 54.800 53.050 -0.092 0.000 0.747 613 N CB -1.601 36.901 38.487 0.025 0.000 0.895 613 N HN 1.207 nan 8.380 nan 0.000 0.543 614 W N -2.577 118.776 121.300 0.088 0.000 3.520 614 W HA -0.303 4.356 4.660 -0.003 0.000 0.305 614 W C 0.948 177.543 176.519 0.127 0.000 1.150 614 W CA 0.753 58.173 57.345 0.124 0.000 0.656 614 W CB -1.931 27.559 29.460 0.051 0.000 2.198 614 W HN 0.400 nan 8.180 nan 0.000 1.417 615 S N 0.513 116.337 115.700 0.207 0.000 2.617 615 S HA 0.476 4.945 4.470 -0.003 0.000 0.269 615 S C 1.211 175.828 174.600 0.029 0.000 1.292 615 S CA 0.356 58.625 58.200 0.115 0.000 1.010 615 S CB 1.315 64.549 63.200 0.057 0.000 0.944 615 S HN 0.324 nan 8.310 nan 0.000 0.536 616 T N 0.679 115.161 114.554 -0.121 0.000 3.129 616 T HA 0.439 4.787 4.350 -0.003 0.000 0.267 616 T C 0.841 175.448 174.700 -0.154 0.000 1.018 616 T CA -0.002 61.872 62.100 -0.376 0.000 0.903 616 T CB -0.056 68.367 68.868 -0.743 0.000 1.067 616 T HN 0.668 nan 8.240 nan 0.000 0.549 617 G N 1.661 110.415 108.800 -0.077 0.000 2.773 617 G HA2 0.402 4.361 3.960 -0.003 0.000 0.186 617 G HA3 0.402 4.361 3.960 -0.003 0.000 0.186 617 G C 1.100 175.971 174.900 -0.048 0.000 1.411 617 G CA 0.055 45.115 45.100 -0.066 0.000 1.054 617 G HN 0.336 nan 8.290 nan 0.000 0.579 618 S N -0.918 114.764 115.700 -0.030 0.000 2.555 618 S HA -0.081 4.387 4.470 -0.003 0.000 0.230 618 S C 1.846 176.445 174.600 -0.002 0.000 0.978 618 S CA 1.594 59.786 58.200 -0.014 0.000 0.934 618 S CB -0.457 62.738 63.200 -0.009 0.000 0.766 618 S HN 0.722 nan 8.310 nan 0.000 0.533 619 T N -0.817 113.735 114.554 -0.002 0.000 3.107 619 T HA 0.556 4.904 4.350 -0.003 0.000 0.249 619 T C 0.735 175.436 174.700 0.002 0.000 1.096 619 T CA 0.159 62.259 62.100 -0.000 0.000 1.012 619 T CB -0.221 68.646 68.868 -0.002 0.000 0.977 619 T HN 0.516 nan 8.240 nan 0.000 0.527 620 A N 1.909 124.742 122.820 0.023 0.000 2.366 620 A HA 0.576 4.895 4.320 -0.003 0.000 0.249 620 A C 0.329 177.922 177.584 0.016 0.000 1.084 620 A CA -0.623 51.447 52.037 0.055 0.000 0.794 620 A CB 0.043 19.153 19.000 0.185 0.000 1.034 620 A HN 0.394 nan 8.150 nan 0.000 0.491 621 I N 1.132 121.668 120.570 -0.057 0.000 2.365 621 I HA 0.601 4.770 4.170 -0.003 0.000 0.291 621 I C 0.945 176.896 176.117 -0.276 0.000 1.004 621 I CA 1.108 62.309 61.300 -0.165 0.000 1.311 621 I CB -0.063 37.795 38.000 -0.237 0.000 1.401 621 I HN 1.074 nan 8.210 nan 0.000 0.491 622 G N 8.071 116.580 108.800 -0.484 0.000 2.334 622 G HA2 0.047 4.005 3.960 -0.003 0.000 0.315 622 G HA3 0.047 4.005 3.960 -0.003 0.000 0.315 622 G C -3.137 171.484 174.900 -0.465 0.000 1.284 622 G CA -0.944 43.674 45.100 -0.802 0.000 0.985 622 G HN 0.441 nan 8.290 nan 0.000 0.504 623 P HA 0.503 nan 4.420 nan 0.000 0.271 623 P C 0.417 177.317 177.300 -0.666 0.000 1.216 623 P CA 0.710 63.283 63.100 -0.879 0.000 0.776 623 P CB 0.941 32.326 31.700 -0.525 0.000 0.881 624 A N 3.005 125.505 122.820 -0.533 0.000 2.386 624 A HA 0.374 4.693 4.320 -0.003 0.000 0.246 624 A C -0.040 177.677 177.584 0.221 0.000 1.089 624 A CA -0.029 51.895 52.037 -0.188 0.000 0.790 624 A CB -0.384 18.658 19.000 0.071 0.000 1.042 624 A HN 0.394 nan 8.150 nan 0.000 0.497 625 F N 0.424 120.451 119.950 0.129 0.000 2.378 625 F HA 0.427 4.952 4.527 -0.003 0.000 0.325 625 F C 1.008 176.722 175.800 -0.143 0.000 1.097 625 F CA -0.558 57.367 58.000 -0.124 0.000 1.079 625 F CB 1.247 39.936 39.000 -0.519 0.000 1.240 625 F HN 0.669 nan 8.300 nan 0.000 0.519 626 N N -0.943 117.794 118.700 0.061 0.000 2.330 626 N HA 0.064 4.802 4.740 -0.003 0.000 0.249 626 N C -0.364 175.134 175.510 -0.021 0.000 1.413 626 N CA -0.144 52.854 53.050 -0.087 0.000 0.817 626 N CB -0.148 37.868 38.487 -0.785 0.000 1.362 626 N HN 0.648 nan 8.380 nan 0.000 0.499 627 Q N -0.615 119.226 119.800 0.068 0.000 2.586 627 Q HA 0.312 4.651 4.340 -0.003 0.000 0.243 627 Q C 0.869 176.859 176.000 -0.017 0.000 0.846 627 Q CA 0.470 56.267 55.803 -0.009 0.000 0.959 627 Q CB 0.999 29.702 28.738 -0.058 0.000 1.227 627 Q HN 0.125 nan 8.270 nan 0.000 0.611 628 V N 0.857 120.775 119.914 0.006 0.000 2.502 628 V HA -0.054 4.065 4.120 -0.003 0.000 0.234 628 V C 1.993 177.925 176.094 -0.269 0.000 1.072 628 V CA 0.688 62.925 62.300 -0.106 0.000 1.094 628 V CB -0.139 31.638 31.823 -0.077 0.000 0.761 628 V HN 0.234 nan 8.190 nan 0.000 0.489 629 I N -0.549 119.701 120.570 -0.534 0.000 2.353 629 I HA -0.002 4.167 4.170 -0.003 0.000 0.248 629 I C 0.941 176.453 176.117 -1.008 0.000 1.119 629 I CA 1.509 62.274 61.300 -0.893 0.000 1.417 629 I CB -0.997 36.204 38.000 -1.333 0.000 1.078 629 I HN 0.365 nan 8.210 nan 0.000 0.421 630 H N 0.127 118.867 119.070 -0.550 0.000 2.895 630 H HA 0.576 5.131 4.556 -0.003 0.000 0.373 630 H C -0.700 174.593 175.328 -0.059 0.000 1.174 630 H CA -0.644 55.259 56.048 -0.241 0.000 1.144 630 H CB 1.920 31.580 29.762 -0.169 0.000 1.793 630 H HN -0.031 nan 8.280 nan 0.000 0.551 631 Q N 0.431 120.263 119.800 0.053 0.000 2.377 631 Q HA 0.212 4.550 4.340 -0.003 0.000 0.271 631 Q C -0.966 175.020 176.000 -0.024 0.000 1.077 631 Q CA -0.941 54.867 55.803 0.008 0.000 0.820 631 Q CB 1.896 30.626 28.738 -0.014 0.000 1.347 631 Q HN 0.462 nan 8.270 nan 0.000 0.444 632 Y N 4.209 124.380 120.300 -0.214 0.000 2.895 632 Y HA -0.020 4.528 4.550 -0.003 0.000 0.334 632 Y C -1.235 174.596 175.900 -0.114 0.000 1.261 632 Y CA -0.427 57.505 58.100 -0.280 0.000 1.560 632 Y CB 0.729 38.985 38.460 -0.340 0.000 1.253 632 Y HN 0.556 nan 8.280 nan 0.000 0.582 633 P HA 0.070 nan 4.420 nan 0.000 0.253 633 P C -0.632 176.516 177.300 -0.253 0.000 1.459 633 P CA 0.045 62.590 63.100 -0.925 0.000 0.908 633 P CB 0.036 31.225 31.700 -0.851 0.000 1.470 634 T N 0.699 115.172 114.554 -0.136 0.000 2.856 634 T HA 0.304 4.653 4.350 -0.003 0.000 0.292 634 T C -0.591 174.175 174.700 0.110 0.000 0.980 634 T CA 0.187 62.314 62.100 0.044 0.000 1.091 634 T CB 0.705 69.590 68.868 0.028 0.000 0.936 634 T HN 0.045 nan 8.240 nan 0.000 0.503 635 W N 2.299 123.614 121.300 0.024 0.000 2.799 635 W HA 0.651 5.310 4.660 -0.002 0.000 0.349 635 W C -0.804 175.849 176.519 0.223 0.000 1.100 635 W CA -0.869 56.548 57.345 0.120 0.000 1.174 635 W CB 1.053 30.500 29.460 -0.021 0.000 1.427 635 W HN 0.724 nan 8.180 nan 0.000 0.547 636 Y N -0.573 119.960 120.300 0.388 0.000 2.638 636 Y HA 0.772 5.321 4.550 -0.002 0.000 0.335 636 Y C -2.103 174.074 175.900 0.462 0.000 1.155 636 Y CA -2.612 55.698 58.100 0.349 0.000 1.046 636 Y CB 1.323 39.962 38.460 0.299 0.000 1.303 636 Y HN 0.482 nan 8.280 nan 0.000 0.460 637 Y N 0.573 121.000 120.300 0.213 0.000 2.521 637 Y HA 0.412 4.960 4.550 -0.003 0.000 0.328 637 Y C -1.871 174.190 175.900 0.267 0.000 1.151 637 Y CA -1.294 56.843 58.100 0.062 0.000 1.054 637 Y CB 1.841 40.252 38.460 -0.083 0.000 1.338 637 Y HN 0.787 nan 8.280 nan 0.000 0.453 638 D N 3.743 124.143 120.400 0.001 0.000 2.232 638 D HA 0.569 5.207 4.640 -0.003 0.000 0.242 638 D C -1.001 175.418 176.300 0.198 0.000 1.093 638 D CA 0.038 54.157 54.000 0.198 0.000 0.845 638 D CB 1.928 42.876 40.800 0.247 0.000 1.124 638 D HN 0.217 nan 8.370 nan 0.000 0.467 639 V N 1.070 121.164 119.914 0.300 0.000 2.656 639 V HA 0.342 4.460 4.120 -0.003 0.000 0.307 639 V C 0.288 176.511 176.094 0.216 0.000 1.051 639 V CA -0.959 61.492 62.300 0.252 0.000 0.893 639 V CB 2.057 34.007 31.823 0.212 0.000 0.999 639 V HN 0.470 nan 8.190 nan 0.000 0.426 640 S N 2.788 118.573 115.700 0.141 0.000 2.523 640 S HA 0.654 5.122 4.470 -0.003 0.000 0.275 640 S C -0.640 174.021 174.600 0.103 0.000 1.281 640 S CA -0.165 58.097 58.200 0.104 0.000 1.050 640 S CB 0.829 64.056 63.200 0.045 0.000 0.937 640 S HN 0.650 nan 8.310 nan 0.000 0.492 641 V N 6.943 126.928 119.914 0.117 0.000 3.087 641 V HA 0.596 4.714 4.120 -0.003 0.000 0.306 641 V C -2.377 173.776 176.094 0.097 0.000 1.187 641 V CA -2.076 60.296 62.300 0.120 0.000 0.999 641 V CB 2.760 34.711 31.823 0.213 0.000 1.049 641 V HN 0.789 nan 8.190 nan 0.000 0.431 642 P HA 0.203 nan 4.420 nan 0.000 0.268 642 P C -0.771 176.568 177.300 0.064 0.000 1.205 642 P CA 0.109 63.245 63.100 0.060 0.000 0.771 642 P CB 0.720 32.450 31.700 0.051 0.000 0.858 643 A N 2.555 125.405 122.820 0.049 0.000 2.354 643 A HA 0.526 4.844 4.320 -0.003 0.000 0.269 643 A C 1.264 178.861 177.584 0.022 0.000 1.109 643 A CA 0.173 52.235 52.037 0.041 0.000 0.800 643 A CB -0.888 18.134 19.000 0.037 0.000 1.045 643 A HN 0.835 nan 8.150 nan 0.000 0.489 644 G N 0.518 109.320 108.800 0.003 0.000 2.338 644 G HA2 -0.194 3.765 3.960 -0.003 0.000 0.296 644 G HA3 -0.194 3.765 3.960 -0.003 0.000 0.296 644 G C -0.087 174.805 174.900 -0.013 0.000 1.040 644 G CA 1.117 46.207 45.100 -0.017 0.000 1.004 644 G HN 1.180 nan 8.290 nan 0.000 0.509 645 K N -0.579 119.814 120.400 -0.010 0.000 2.422 645 K HA 0.618 4.937 4.320 -0.003 0.000 0.251 645 K C -0.038 176.569 176.600 0.011 0.000 0.933 645 K CA -0.902 55.393 56.287 0.014 0.000 0.798 645 K CB 1.310 33.833 32.500 0.039 0.000 1.238 645 K HN 0.191 nan 8.250 nan 0.000 0.428 646 Q N 4.199 124.017 119.800 0.029 0.000 2.295 646 Q HA 0.364 4.703 4.340 -0.003 0.000 0.259 646 Q C -1.216 174.856 176.000 0.120 0.000 0.976 646 Q CA -0.368 55.468 55.803 0.055 0.000 0.923 646 Q CB 0.577 29.346 28.738 0.050 0.000 1.185 646 Q HN 0.583 nan 8.270 nan 0.000 0.410 647 L N 3.146 124.490 121.223 0.202 0.000 2.342 647 L HA 0.578 4.917 4.340 -0.003 0.000 0.271 647 L C -0.353 176.742 176.870 0.376 0.000 1.008 647 L CA -0.858 54.148 54.840 0.276 0.000 0.818 647 L CB 2.085 44.356 42.059 0.352 0.000 1.296 647 L HN 0.655 nan 8.230 nan 0.000 0.427 648 E N 2.057 122.460 120.200 0.339 0.000 2.212 648 E HA 0.668 5.016 4.350 -0.003 0.000 0.268 648 E C -1.566 175.261 176.600 0.379 0.000 0.902 648 E CA -0.539 56.074 56.400 0.354 0.000 0.779 648 E CB 2.572 32.496 29.700 0.374 0.000 1.172 648 E HN 0.385 nan 8.360 nan 0.000 0.409 649 F N -0.589 119.512 119.950 0.252 0.000 2.713 649 F HA 0.656 5.181 4.527 -0.003 0.000 0.311 649 F C -1.316 174.692 175.800 0.347 0.000 1.141 649 F CA -1.112 56.952 58.000 0.106 0.000 0.939 649 F CB 1.397 40.378 39.000 -0.031 0.000 1.325 649 F HN 0.118 nan 8.300 nan 0.000 0.453 650 K N 1.098 121.779 120.400 0.468 0.000 2.527 650 K HA 0.566 4.885 4.320 -0.003 0.000 0.260 650 K C -1.894 174.934 176.600 0.379 0.000 0.937 650 K CA -0.700 55.885 56.287 0.496 0.000 0.826 650 K CB 2.743 35.616 32.500 0.621 0.000 1.359 650 K HN 0.550 nan 8.250 nan 0.000 0.434 651 F N 1.939 122.128 119.950 0.398 0.000 2.370 651 F HA 0.511 5.037 4.527 -0.002 0.000 0.319 651 F C 0.222 176.247 175.800 0.376 0.000 1.129 651 F CA -0.142 58.032 58.000 0.291 0.000 1.109 651 F CB 0.690 39.870 39.000 0.301 0.000 1.262 651 F HN 0.392 nan 8.300 nan 0.000 0.534 652 F N -1.222 118.920 119.950 0.321 0.000 2.631 652 F HA 0.690 5.215 4.527 -0.002 0.000 0.308 652 F C -1.668 174.211 175.800 0.132 0.000 1.097 652 F CA -1.609 56.472 58.000 0.134 0.000 0.952 652 F CB 1.271 39.934 39.000 -0.562 0.000 1.307 652 F HN 0.227 nan 8.300 nan 0.000 0.450 653 K N 1.932 122.467 120.400 0.224 0.000 2.138 653 K HA 0.548 4.866 4.320 -0.003 0.000 0.263 653 K C -1.216 175.479 176.600 0.159 0.000 0.965 653 K CA -1.016 55.295 56.287 0.040 0.000 0.868 653 K CB 2.074 34.544 32.500 -0.049 0.000 1.083 653 K HN 0.731 nan 8.250 nan 0.000 0.443 654 K N 2.377 122.864 120.400 0.144 0.000 2.535 654 K HA 0.144 4.462 4.320 -0.003 0.000 0.250 654 K C -0.554 176.114 176.600 0.113 0.000 0.948 654 K CA -0.465 55.905 56.287 0.138 0.000 0.796 654 K CB 0.813 33.390 32.500 0.128 0.000 1.216 654 K HN 0.688 nan 8.250 nan 0.000 0.432 655 N N 3.053 121.796 118.700 0.072 0.000 2.765 655 N HA 0.138 4.877 4.740 -0.003 0.000 0.230 655 N C 1.071 176.612 175.510 0.051 0.000 1.022 655 N CA 0.875 53.963 53.050 0.064 0.000 1.106 655 N CB -0.406 38.110 38.487 0.048 0.000 1.527 655 N HN 0.507 nan 8.380 nan 0.000 0.507 656 G N 0.334 109.155 108.800 0.035 0.000 2.601 656 G HA2 0.159 4.117 3.960 -0.003 0.000 0.214 656 G HA3 0.159 4.117 3.960 -0.003 0.000 0.214 656 G C 1.019 175.925 174.900 0.011 0.000 2.067 656 G CA 0.649 45.764 45.100 0.024 0.000 0.774 656 G HN 0.409 nan 8.290 nan 0.000 0.729 657 S N -0.681 115.023 115.700 0.008 0.000 2.478 657 S HA 0.115 4.583 4.470 -0.003 0.000 0.222 657 S C 1.233 175.831 174.600 -0.002 0.000 1.008 657 S CA 1.004 59.202 58.200 -0.003 0.000 0.928 657 S CB -0.141 63.059 63.200 0.001 0.000 0.781 657 S HN 0.545 nan 8.310 nan 0.000 0.518 658 T N 3.108 117.670 114.554 0.013 0.000 2.806 658 T HA 0.510 4.858 4.350 -0.003 0.000 0.290 658 T C -0.488 174.225 174.700 0.021 0.000 0.966 658 T CA -0.778 61.334 62.100 0.020 0.000 1.060 658 T CB -0.004 68.884 68.868 0.033 0.000 0.927 658 T HN 0.089 nan 8.240 nan 0.000 0.485 659 I N 5.131 125.701 120.570 0.000 0.000 2.336 659 I HA 0.326 4.494 4.170 -0.003 0.000 0.292 659 I C 0.738 176.862 176.117 0.012 0.000 0.991 659 I CA -0.467 60.799 61.300 -0.056 0.000 1.227 659 I CB 1.024 38.874 38.000 -0.250 0.000 1.366 659 I HN 0.765 nan 8.210 nan 0.000 0.466 660 T N 5.231 119.834 114.554 0.081 0.000 2.815 660 T HA 0.465 4.814 4.350 -0.003 0.000 0.289 660 T C -0.894 173.997 174.700 0.319 0.000 1.000 660 T CA -0.404 61.820 62.100 0.207 0.000 0.958 660 T CB 0.389 69.387 68.868 0.216 0.000 0.944 660 T HN 0.345 nan 8.240 nan 0.000 0.442 661 W N 2.671 124.135 121.300 0.272 0.000 2.215 661 W HA 0.439 5.097 4.660 -0.003 0.000 0.342 661 W C 0.972 177.554 176.519 0.105 0.000 1.237 661 W CA -0.755 56.733 57.345 0.237 0.000 1.283 661 W CB 0.489 30.000 29.460 0.086 0.000 1.131 661 W HN 0.642 nan 8.180 nan 0.000 0.606 662 E N 0.824 121.077 120.200 0.088 0.000 2.418 662 E HA 0.067 4.415 4.350 -0.003 0.000 0.261 662 E C 0.048 176.574 176.600 -0.124 0.000 1.070 662 E CA 0.003 56.141 56.400 -0.438 0.000 0.931 662 E CB 0.560 29.936 29.700 -0.540 0.000 0.954 662 E HN 0.279 nan 8.360 nan 0.000 0.439 663 S N 0.394 115.994 115.700 -0.167 0.000 2.634 663 S HA 0.535 5.003 4.470 -0.003 0.000 0.261 663 S C 0.454 174.961 174.600 -0.154 0.000 1.271 663 S CA -0.149 57.989 58.200 -0.102 0.000 0.985 663 S CB 1.071 64.236 63.200 -0.059 0.000 0.968 663 S HN 0.845 nan 8.310 nan 0.000 0.568 664 G N 0.907 109.629 108.800 -0.131 0.000 2.642 664 G HA2 -0.183 3.776 3.960 -0.003 0.000 0.231 664 G HA3 -0.183 3.776 3.960 -0.003 0.000 0.231 664 G C -0.265 174.526 174.900 -0.181 0.000 1.338 664 G CA -0.363 44.650 45.100 -0.146 0.000 0.883 664 G HN 0.852 nan 8.290 nan 0.000 0.570 665 S N 0.846 116.435 115.700 -0.184 0.000 2.603 665 S HA 0.469 4.937 4.470 -0.003 0.000 0.268 665 S C 0.646 175.087 174.600 -0.264 0.000 1.317 665 S CA -0.603 57.483 58.200 -0.190 0.000 1.012 665 S CB 0.737 63.853 63.200 -0.141 0.000 0.926 665 S HN 0.715 nan 8.310 nan 0.000 0.539 666 N N 2.274 120.854 118.700 -0.199 0.000 2.395 666 N HA 0.029 4.768 4.740 -0.003 0.000 0.246 666 N C -0.019 175.324 175.510 -0.278 0.000 1.246 666 N CA 0.372 53.320 53.050 -0.170 0.000 0.879 666 N CB 0.059 38.565 38.487 0.033 0.000 1.098 666 N HN 0.538 nan 8.380 nan 0.000 0.444 667 H N 0.225 119.102 119.070 -0.323 0.000 2.615 667 H HA 0.246 4.801 4.556 -0.003 0.000 0.363 667 H C 0.145 175.232 175.328 -0.401 0.000 1.148 667 H CA 0.360 56.120 56.048 -0.479 0.000 1.401 667 H CB 0.652 29.842 29.762 -0.953 0.000 1.461 667 H HN 0.436 nan 8.280 nan 0.000 0.588 668 T N 0.818 115.407 114.554 0.058 0.000 2.900 668 T HA 0.518 4.866 4.350 -0.003 0.000 0.295 668 T C -0.914 174.081 174.700 0.491 0.000 1.044 668 T CA -0.849 61.405 62.100 0.257 0.000 0.995 668 T CB 1.819 70.794 68.868 0.177 0.000 1.072 668 T HN 0.432 nan 8.240 nan 0.000 0.473 669 F N 0.868 121.031 119.950 0.355 0.000 2.635 669 F HA 0.540 5.065 4.527 -0.003 0.000 0.314 669 F C -1.216 174.688 175.800 0.174 0.000 1.119 669 F CA -0.465 57.692 58.000 0.261 0.000 1.000 669 F CB 1.782 40.959 39.000 0.293 0.000 1.278 669 F HN 0.636 nan 8.300 nan 0.000 0.446 670 T N 3.678 117.900 114.554 -0.554 0.000 2.767 670 T HA 0.455 4.803 4.350 -0.003 0.000 0.284 670 T C -0.004 174.188 174.700 -0.847 0.000 0.973 670 T CA -0.426 61.399 62.100 -0.457 0.000 0.996 670 T CB 0.947 69.660 68.868 -0.257 0.000 0.927 670 T HN 0.735 nan 8.240 nan 0.000 0.456 671 T N 2.325 116.627 114.554 -0.421 0.000 2.868 671 T HA 0.407 4.755 4.350 -0.003 0.000 0.292 671 T C -2.375 172.230 174.700 -0.158 0.000 1.028 671 T CA -1.717 60.232 62.100 -0.252 0.000 1.059 671 T CB 0.305 69.193 68.868 0.034 0.000 0.991 671 T HN 0.266 nan 8.240 nan 0.000 0.531 672 P HA 0.204 nan 4.420 nan 0.000 0.270 672 P C 0.614 177.921 177.300 0.012 0.000 1.223 672 P CA -0.372 62.726 63.100 -0.004 0.000 0.785 672 P CB 0.472 32.204 31.700 0.054 0.000 0.923 673 A N 1.775 124.602 122.820 0.011 0.000 2.015 673 A HA 0.039 4.357 4.320 -0.003 0.000 0.219 673 A C 1.034 178.638 177.584 0.033 0.000 1.163 673 A CA 1.588 53.635 52.037 0.017 0.000 0.646 673 A CB -0.680 18.328 19.000 0.013 0.000 0.806 673 A HN 0.765 nan 8.150 nan 0.000 0.448 674 S N -4.787 110.941 115.700 0.047 0.000 2.615 674 S HA 0.656 5.125 4.470 -0.003 0.000 0.269 674 S C 0.297 174.948 174.600 0.085 0.000 1.161 674 S CA 0.199 58.436 58.200 0.061 0.000 0.817 674 S CB 0.898 64.130 63.200 0.052 0.000 1.131 674 S HN 2.100 nan 8.310 nan 0.000 0.467 675 G N 0.768 109.634 108.800 0.109 0.000 2.520 675 G HA2 0.181 4.139 3.960 -0.003 0.000 0.248 675 G HA3 0.181 4.139 3.960 -0.003 0.000 0.248 675 G C 0.024 175.023 174.900 0.164 0.000 1.161 675 G CA 0.686 45.869 45.100 0.139 0.000 0.946 675 G HN 2.386 nan 8.290 nan 0.000 0.565 676 T N -2.375 112.274 114.554 0.158 0.000 2.838 676 T HA 1.023 5.372 4.350 -0.003 0.000 0.292 676 T C -0.198 174.590 174.700 0.145 0.000 1.113 676 T CA 0.522 62.723 62.100 0.169 0.000 1.008 676 T CB 1.646 70.625 68.868 0.185 0.000 1.259 676 T HN 2.681 nan 8.240 nan 0.000 0.520 677 A N 0.257 123.156 122.820 0.133 0.000 2.566 677 A HA 0.783 5.101 4.320 -0.003 0.000 0.290 677 A C -0.870 176.717 177.584 0.005 0.000 1.071 677 A CA -0.935 51.174 52.037 0.119 0.000 0.658 677 A CB 1.233 20.394 19.000 0.269 0.000 1.285 677 A HN 0.993 nan 8.150 nan 0.000 0.427 678 T N 0.481 114.997 114.554 -0.063 0.000 2.881 678 T HA 0.600 4.948 4.350 -0.003 0.000 0.290 678 T C -1.365 173.115 174.700 -0.366 0.000 1.000 678 T CA -0.405 61.590 62.100 -0.174 0.000 0.978 678 T CB 1.440 70.278 68.868 -0.049 0.000 0.997 678 T HN 1.602 nan 8.240 nan 0.000 0.443 679 V N 3.567 123.124 119.914 -0.595 0.000 2.487 679 V HA 0.711 4.830 4.120 -0.003 0.000 0.298 679 V C -0.711 175.225 176.094 -0.263 0.000 1.028 679 V CA -0.148 61.785 62.300 -0.612 0.000 0.860 679 V CB 1.824 32.869 31.823 -1.298 0.000 0.991 679 V HN 0.977 nan 8.190 nan 0.000 0.427 680 T N 6.748 121.233 114.554 -0.115 0.000 2.797 680 T HA 0.732 5.080 4.350 -0.003 0.000 0.279 680 T C -0.373 174.333 174.700 0.010 0.000 0.991 680 T CA -0.242 61.829 62.100 -0.047 0.000 0.979 680 T CB 1.425 70.258 68.868 -0.057 0.000 0.943 680 T HN 1.135 nan 8.240 nan 0.000 0.444 681 V N 0.784 120.708 119.914 0.018 0.000 3.167 681 V HA 0.740 4.858 4.120 -0.003 0.000 0.310 681 V C -1.190 174.909 176.094 0.007 0.000 1.207 681 V CA -1.246 61.048 62.300 -0.010 0.000 1.059 681 V CB 2.397 34.058 31.823 -0.270 0.000 1.079 681 V HN 0.727 nan 8.190 nan 0.000 0.446 682 N N 1.229 119.972 118.700 0.071 0.000 2.361 682 N HA 0.248 4.986 4.740 -0.003 0.000 0.302 682 N C -0.858 174.768 175.510 0.194 0.000 1.074 682 N CA -0.294 52.828 53.050 0.121 0.000 0.850 682 N CB 2.202 40.761 38.487 0.121 0.000 1.228 682 N HN 1.032 nan 8.380 nan 0.000 0.491 683 W N 2.901 124.233 121.300 0.053 0.000 2.347 683 W HA -0.013 4.646 4.660 -0.003 0.000 0.333 683 W C -0.398 176.203 176.519 0.136 0.000 1.383 683 W CA 0.447 57.848 57.345 0.093 0.000 1.283 683 W CB 0.427 29.896 29.460 0.014 0.000 1.253 683 W HN 0.508 nan 8.180 nan 0.000 0.563 684 Q N 0.000 119.500 119.800 -0.501 0.000 2.315 684 Q HA 0.000 4.338 4.340 -0.003 0.000 0.214 684 Q CA 0.000 55.627 55.803 -0.294 0.000 1.022 684 Q CB 0.000 28.594 28.738 -0.239 0.000 1.108 684 Q HN 0.000 nan 8.270 nan 0.000 0.481