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 2xwj_1_J DATA FIRST_RESID 10 DATA SEQUENCE GScSLEGVEI KGGSFRLLQE GQALEYVcPS GFYPYPVQTR TcRSTGSWST DATA SEQUENCE LKTQDQKTVR KAEcRAIHcP RPHDFENGEY WPRSPYYNVS DEISFHcYDG DATA SEQUENCE YTLRGSANRT cQVNGRWSGQ TAIcDNGAGY cSNPGIPIGT RKVGSQYRLE DATA SEQUENCE DSVTYHcSRG LTLRGSQRRT cQEGGSWSGT EPScQDSFMY DTPQEVAEAF DATA SEQUENCE LSSLTETIEG VDAEXXXXXX XXXXXXXXXX PSGSMNIYLV LDGSGSIGAS DATA SEQUENCE DFTGAKKCLV NLIEKVASYG VKPRYGLVTY ATYPKIWVKV SEADSSNADW DATA SEQUENCE VTKQLNEINY EDHKLKSGTN TKKALQAVYS MMSWPDDVPP EGWNRTRHVI DATA SEQUENCE ILMTDGLHNM GGDPITVIDE IRDLLYIGKD RKNPREDYLD VYVFGVGPLV DATA SEQUENCE NQVNINALAS KKDNEQHVFK VKDMENLEDV FYQMIDESQS LSLcGMVWEX DATA SEQUENCE XXGTDYHKQP WQAKISVIRP SKGHEScMGA VVSEYFVLTA AHcFTVDDKE DATA SEQUENCE HSIKVSVGGE KRDLEIEVVL FHPNYNINGK KEAGIPEFYD YDVALIKLKN DATA SEQUENCE KLKYGQTIRP IcLPcTEGTT RALRLPPTTT cQQQKEELLP AQDIKALFVS DATA SEQUENCE EEEKKLTRKE VYIKNGDKKG ScERDAQYAP GYDKVKDISE VVTPRFLcTG DATA SEQUENCE GVSPYADPNT cRGDSGGPLI VHKRSRFIQV GVISWGVVDV cKNQKRQKQV DATA SEQUENCE PAHARDFHIN LFQVLPWLKE KLQDEDLGFL AA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 G HA2 0.000 nan 3.960 nan 0.000 0.244 10 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 10 G C 0.000 174.894 174.900 -0.009 0.000 0.946 10 G CA 0.000 45.097 45.100 -0.005 0.000 0.502 11 S N -0.927 114.760 115.700 -0.022 0.000 2.465 11 S HA 0.478 4.948 4.470 0.000 0.000 0.279 11 S C 0.310 174.865 174.600 -0.074 0.000 1.201 11 S CA -0.545 57.636 58.200 -0.033 0.000 1.053 11 S CB 0.474 63.656 63.200 -0.030 0.000 0.953 11 S HN 0.848 nan 8.310 nan 0.000 0.488 12 c N 4.491 123.032 118.600 -0.098 0.000 2.653 12 c HA 0.439 5.010 4.570 0.000 0.000 0.421 12 c C 1.617 175.513 174.090 -0.324 0.000 1.334 12 c CA -0.464 55.732 56.329 -0.222 0.000 1.885 12 c CB -0.639 41.723 42.510 -0.248 0.000 2.645 12 c HN 1.059 nan 8.230 nan 0.000 0.601 13 S N 2.805 118.280 115.700 -0.374 0.000 2.600 13 S HA 0.387 4.857 4.470 0.000 0.000 0.265 13 S C -0.535 173.776 174.600 -0.481 0.000 1.325 13 S CA -0.632 57.371 58.200 -0.329 0.000 1.002 13 S CB 0.326 63.382 63.200 -0.241 0.000 0.921 13 S HN 0.480 nan 8.310 nan 0.000 0.554 14 L N 2.273 123.324 121.223 -0.286 0.000 2.328 14 L HA 0.369 4.709 4.340 0.000 0.000 0.280 14 L C 0.147 176.931 176.870 -0.143 0.000 1.111 14 L CA 0.363 55.070 54.840 -0.221 0.000 0.909 14 L CB -0.623 41.399 42.059 -0.063 0.000 1.277 14 L HN 0.909 nan 8.230 nan 0.000 0.433 15 E N 1.139 121.236 120.200 -0.171 0.000 2.308 15 E HA 0.660 5.010 4.350 0.000 0.000 0.275 15 E C 0.541 177.289 176.600 0.246 0.000 0.890 15 E CA -0.481 55.929 56.400 0.016 0.000 0.754 15 E CB 1.512 31.196 29.700 -0.027 0.000 1.207 15 E HN 0.366 nan 8.360 nan 0.000 0.426 16 G N 2.116 111.045 108.800 0.214 0.000 2.284 16 G HA2 -0.440 3.520 3.960 0.000 0.000 0.261 16 G HA3 -0.440 3.520 3.960 0.000 0.000 0.261 16 G C 0.998 176.059 174.900 0.269 0.000 0.997 16 G CA 1.240 46.485 45.100 0.242 0.000 0.621 16 G HN 1.635 nan 8.290 nan 0.000 0.534 17 V N -1.258 118.854 119.914 0.329 0.000 2.131 17 V HA -0.359 3.761 4.120 0.000 0.000 0.156 17 V C 1.256 177.518 176.094 0.281 0.000 0.811 17 V CA 2.565 65.044 62.300 0.299 0.000 1.750 17 V CB -1.401 30.585 31.823 0.271 0.000 0.726 17 V HN 0.917 nan 8.190 nan 0.000 0.467 18 E N 0.434 120.884 120.200 0.418 0.000 2.455 18 E HA 0.505 4.855 4.350 0.000 0.000 0.259 18 E C -0.045 176.752 176.600 0.329 0.000 1.245 18 E CA 0.409 57.133 56.400 0.541 0.000 1.013 18 E CB 0.118 30.051 29.700 0.388 0.000 0.978 18 E HN 0.843 nan 8.360 nan 0.000 0.479 19 I N 0.155 120.905 120.570 0.299 0.000 2.354 19 I HA 0.152 4.322 4.170 0.000 0.000 0.292 19 I C -0.443 175.690 176.117 0.025 0.000 0.989 19 I CA -0.623 60.695 61.300 0.029 0.000 1.188 19 I CB 1.060 39.036 38.000 -0.039 0.000 1.342 19 I HN 0.277 nan 8.210 nan 0.000 0.457 20 K N 6.640 127.023 120.400 -0.029 0.000 2.395 20 K HA 0.323 4.643 4.320 0.000 0.000 0.283 20 K C 0.875 177.431 176.600 -0.074 0.000 1.068 20 K CA 1.023 57.287 56.287 -0.037 0.000 1.039 20 K CB -0.395 32.075 32.500 -0.050 0.000 0.924 20 K HN 1.130 nan 8.250 nan 0.000 0.468 21 G N 2.382 111.143 108.800 -0.064 0.000 2.137 21 G HA2 -0.181 3.779 3.960 0.000 0.000 0.237 21 G HA3 -0.181 3.779 3.960 0.000 0.000 0.237 21 G C 0.107 174.949 174.900 -0.097 0.000 1.002 21 G CA -0.214 44.822 45.100 -0.108 0.000 0.702 21 G HN 1.056 nan 8.290 nan 0.000 0.515 22 G N -1.469 107.316 108.800 -0.024 0.000 2.608 22 G HA2 0.906 4.866 3.960 0.000 0.000 0.291 22 G HA3 0.906 4.866 3.960 0.000 0.000 0.291 22 G C -0.516 174.442 174.900 0.096 0.000 1.425 22 G CA 0.617 45.733 45.100 0.026 0.000 0.787 22 G HN 1.709 nan 8.290 nan 0.000 0.484 23 S N -1.095 114.673 115.700 0.114 0.000 2.568 23 S HA 0.869 5.339 4.470 0.000 0.000 0.293 23 S C -0.815 173.904 174.600 0.197 0.000 1.089 23 S CA -0.841 57.422 58.200 0.105 0.000 0.945 23 S CB 1.790 64.980 63.200 -0.015 0.000 1.077 23 S HN 1.615 nan 8.310 nan 0.000 0.485 24 F N -0.323 119.688 119.950 0.102 0.000 2.561 24 F HA 0.838 5.365 4.527 0.000 0.000 0.321 24 F C -0.286 175.515 175.800 0.001 0.000 1.065 24 F CA -1.269 56.755 58.000 0.040 0.000 0.934 24 F CB 1.522 40.478 39.000 -0.072 0.000 1.215 24 F HN 0.864 nan 8.300 nan 0.000 0.471 25 R N 3.222 123.794 120.500 0.120 0.000 2.445 25 R HA 0.677 5.017 4.340 0.000 0.000 0.308 25 R C -1.751 174.650 176.300 0.170 0.000 0.961 25 R CA -0.928 55.192 56.100 0.034 0.000 0.862 25 R CB 1.758 32.068 30.300 0.016 0.000 1.144 25 R HN 0.840 nan 8.270 nan 0.000 0.447 26 L N 3.487 124.799 121.223 0.147 0.000 2.313 26 L HA 0.289 4.629 4.340 0.000 0.000 0.282 26 L C -0.338 176.586 176.870 0.089 0.000 1.092 26 L CA 0.147 55.094 54.840 0.179 0.000 0.831 26 L CB 0.991 43.164 42.059 0.190 0.000 1.159 26 L HN 0.765 nan 8.230 nan 0.000 0.442 27 L N 4.529 125.797 121.223 0.075 0.000 2.433 27 L HA 0.310 4.650 4.340 0.000 0.000 0.284 27 L C 0.749 177.648 176.870 0.048 0.000 1.120 27 L CA -0.604 54.264 54.840 0.047 0.000 0.879 27 L CB -0.593 41.489 42.059 0.039 0.000 1.232 27 L HN 0.843 nan 8.230 nan 0.000 0.454 28 Q N 1.833 121.655 119.800 0.036 0.000 2.493 28 Q HA 0.029 4.369 4.340 0.000 0.000 0.252 28 Q C 0.685 176.709 176.000 0.039 0.000 1.343 28 Q CA 1.358 57.182 55.803 0.035 0.000 0.894 28 Q CB -0.298 28.451 28.738 0.019 0.000 1.600 28 Q HN 0.885 nan 8.270 nan 0.000 0.533 29 E N 0.722 120.949 120.200 0.046 0.000 2.550 29 E HA 0.177 4.527 4.350 0.000 0.000 0.206 29 E C 0.109 176.733 176.600 0.041 0.000 0.845 29 E CA 0.450 56.876 56.400 0.043 0.000 1.461 29 E CB 0.828 30.555 29.700 0.044 0.000 1.452 29 E HN 0.474 nan 8.360 nan 0.000 0.780 30 G N 1.553 110.383 108.800 0.049 0.000 4.829 30 G HA2 0.117 4.077 3.960 0.000 0.000 0.320 30 G HA3 0.117 4.077 3.960 0.000 0.000 0.320 30 G C 0.346 175.298 174.900 0.086 0.000 1.445 30 G CA -0.222 44.919 45.100 0.068 0.000 1.151 30 G HN -0.031 nan 8.290 nan 0.000 0.572 31 Q N 0.431 120.276 119.800 0.074 0.000 2.119 31 Q HA 0.106 4.446 4.340 0.000 0.000 0.201 31 Q C 1.369 177.432 176.000 0.104 0.000 0.972 31 Q CA 1.201 57.057 55.803 0.089 0.000 0.847 31 Q CB 0.282 29.058 28.738 0.063 0.000 0.903 31 Q HN 0.518 nan 8.270 nan 0.000 0.433 32 A N 0.687 123.546 122.820 0.065 0.000 2.342 32 A HA 0.572 4.892 4.320 0.000 0.000 0.323 32 A C -0.786 176.803 177.584 0.009 0.000 1.125 32 A CA -0.765 51.286 52.037 0.024 0.000 0.785 32 A CB 0.714 19.719 19.000 0.007 0.000 1.221 32 A HN 0.199 nan 8.150 nan 0.000 0.463 33 L N -0.661 120.519 121.223 -0.072 0.000 2.235 33 L HA 0.919 5.259 4.340 0.000 0.000 0.260 33 L C -0.181 176.583 176.870 -0.178 0.000 1.025 33 L CA -0.832 53.953 54.840 -0.091 0.000 0.836 33 L CB 1.116 43.098 42.059 -0.130 0.000 1.395 33 L HN 0.714 nan 8.230 nan 0.000 0.443 34 E N -0.220 119.905 120.200 -0.125 0.000 2.281 34 E HA 0.375 4.725 4.350 0.000 0.000 0.266 34 E C -1.683 174.897 176.600 -0.033 0.000 0.893 34 E CA -0.621 55.725 56.400 -0.090 0.000 0.798 34 E CB 1.108 30.821 29.700 0.022 0.000 1.245 34 E HN 0.567 nan 8.360 nan 0.000 0.410 35 Y N 1.534 121.892 120.300 0.097 0.000 2.397 35 Y HA 0.217 4.767 4.550 0.000 0.000 0.335 35 Y C 0.383 176.364 175.900 0.135 0.000 1.213 35 Y CA -0.203 57.984 58.100 0.145 0.000 1.391 35 Y CB 1.097 39.601 38.460 0.074 0.000 1.293 35 Y HN 0.235 nan 8.280 nan 0.000 0.557 36 V N 2.828 122.922 119.914 0.300 0.000 2.380 36 V HA 0.140 4.260 4.120 0.000 0.000 0.268 36 V C -0.769 175.424 176.094 0.164 0.000 1.008 36 V CA -1.049 61.367 62.300 0.194 0.000 0.823 36 V CB 0.426 32.328 31.823 0.132 0.000 1.053 36 V HN 0.860 nan 8.190 nan 0.000 0.446 37 c N 6.735 125.436 118.600 0.167 0.000 2.555 37 c HA 0.264 4.834 4.570 0.000 0.000 0.385 37 c C -0.366 173.834 174.090 0.184 0.000 1.296 37 c CA -0.465 55.951 56.329 0.145 0.000 1.757 37 c CB 0.336 42.925 42.510 0.132 0.000 2.445 37 c HN 0.625 nan 8.230 nan 0.000 0.571 38 P HA -0.073 nan 4.420 nan 0.000 0.212 38 P C 0.156 177.559 177.300 0.172 0.000 1.180 38 P CA 0.553 63.749 63.100 0.159 0.000 0.770 38 P CB 0.075 31.864 31.700 0.149 0.000 0.568 39 S N -0.748 115.054 115.700 0.171 0.000 2.404 39 S HA 0.478 4.948 4.470 0.000 0.000 0.309 39 S C 0.631 175.058 174.600 -0.288 0.000 1.076 39 S CA 0.089 58.307 58.200 0.030 0.000 1.095 39 S CB -1.423 61.796 63.200 0.032 0.000 0.972 39 S HN 0.763 nan 8.310 nan 0.000 0.484 40 G N 3.834 112.417 108.800 -0.362 0.000 2.132 40 G HA2 -0.176 3.784 3.960 0.000 0.000 0.228 40 G HA3 -0.176 3.784 3.960 0.000 0.000 0.228 40 G C -0.347 173.839 174.900 -1.189 0.000 1.000 40 G CA 0.027 44.680 45.100 -0.745 0.000 0.693 40 G HN 0.651 nan 8.290 nan 0.000 0.515 41 F N -0.628 119.223 119.950 -0.166 0.000 2.619 41 F HA 0.668 5.195 4.527 0.000 0.000 0.308 41 F C -0.111 175.518 175.800 -0.284 0.000 1.097 41 F CA -1.828 55.985 58.000 -0.312 0.000 0.953 41 F CB 1.270 40.123 39.000 -0.244 0.000 1.287 41 F HN 0.236 nan 8.300 nan 0.000 0.446 42 Y N -0.486 119.732 120.300 -0.137 0.000 2.377 42 Y HA 0.796 5.346 4.550 0.000 0.000 0.339 42 Y C -3.123 172.797 175.900 0.033 0.000 1.011 42 Y CA -4.217 53.798 58.100 -0.142 0.000 1.093 42 Y CB 0.825 39.048 38.460 -0.394 0.000 1.201 42 Y HN 0.251 nan 8.280 nan 0.000 0.455 43 P HA -0.016 nan 4.420 nan 0.000 0.259 43 P C -1.294 176.161 177.300 0.258 0.000 1.211 43 P CA 0.713 63.934 63.100 0.202 0.000 0.810 43 P CB -0.337 31.516 31.700 0.255 0.000 0.815 44 Y N 7.288 127.618 120.300 0.050 0.000 2.361 44 Y HA 0.432 4.982 4.550 0.000 0.000 0.332 44 Y C -1.853 174.011 175.900 -0.059 0.000 1.101 44 Y CA -2.605 55.547 58.100 0.086 0.000 1.137 44 Y CB 1.814 40.332 38.460 0.097 0.000 1.207 44 Y HN 0.333 nan 8.280 nan 0.000 0.463 45 P HA 0.091 nan 4.420 nan 0.000 0.268 45 P C -1.306 175.819 177.300 -0.292 0.000 1.329 45 P CA 0.403 62.971 63.100 -0.887 0.000 0.899 45 P CB 0.260 31.293 31.700 -1.112 0.000 1.378 46 V N -3.239 116.595 119.914 -0.135 0.000 2.789 46 V HA 0.484 4.604 4.120 0.000 0.000 0.311 46 V C 0.926 177.084 176.094 0.106 0.000 1.073 46 V CA -0.803 61.483 62.300 -0.024 0.000 0.921 46 V CB 2.167 33.960 31.823 -0.050 0.000 1.009 46 V HN -0.328 nan 8.190 nan 0.000 0.426 47 Q N 1.827 121.690 119.800 0.105 0.000 2.432 47 Q HA 0.228 4.568 4.340 0.000 0.000 0.205 47 Q C 0.749 176.807 176.000 0.097 0.000 0.945 47 Q CA 1.446 57.338 55.803 0.149 0.000 0.924 47 Q CB 0.195 29.011 28.738 0.130 0.000 1.016 47 Q HN 1.121 nan 8.270 nan 0.000 0.503 48 T N -0.880 113.693 114.554 0.031 0.000 2.868 48 T HA 0.649 4.999 4.350 0.000 0.000 0.306 48 T C -1.659 172.953 174.700 -0.146 0.000 1.224 48 T CA -0.919 61.140 62.100 -0.069 0.000 1.012 48 T CB 1.097 69.941 68.868 -0.041 0.000 1.221 48 T HN 0.128 nan 8.240 nan 0.000 0.499 49 R N 2.663 123.008 120.500 -0.258 0.000 2.539 49 R HA 0.398 4.738 4.340 0.000 0.000 0.295 49 R C 0.053 176.220 176.300 -0.221 0.000 1.138 49 R CA -0.721 55.167 56.100 -0.354 0.000 0.936 49 R CB 1.653 31.502 30.300 -0.752 0.000 1.182 49 R HN 0.952 nan 8.270 nan 0.000 0.459 50 T N -1.651 112.843 114.554 -0.100 0.000 2.726 50 T HA 0.195 4.545 4.350 0.000 0.000 0.294 50 T C 0.381 175.145 174.700 0.108 0.000 1.013 50 T CA -0.530 61.572 62.100 0.004 0.000 0.996 50 T CB 1.371 70.244 68.868 0.008 0.000 1.016 50 T HN 0.617 nan 8.240 nan 0.000 0.529 51 c N 2.571 121.252 118.600 0.135 0.000 2.316 51 c HA 0.624 5.194 4.570 0.000 0.000 0.324 51 c C 0.192 174.349 174.090 0.112 0.000 1.226 51 c CA -0.944 55.496 56.329 0.186 0.000 1.450 51 c CB -0.451 42.156 42.510 0.160 0.000 2.123 51 c HN 0.850 nan 8.230 nan 0.000 0.454 52 R N 3.497 124.067 120.500 0.116 0.000 2.615 52 R HA 0.218 4.558 4.340 0.000 0.000 0.270 52 R C 1.090 177.419 176.300 0.048 0.000 1.081 52 R CA -0.030 56.112 56.100 0.070 0.000 1.154 52 R CB 0.640 30.982 30.300 0.069 0.000 1.063 52 R HN 0.923 nan 8.270 nan 0.000 0.519 53 S N -1.140 114.580 115.700 0.032 0.000 3.122 53 S HA -0.012 4.458 4.470 0.000 0.000 0.249 53 S C 0.798 175.406 174.600 0.013 0.000 1.334 53 S CA 0.005 58.216 58.200 0.019 0.000 1.251 53 S CB -0.665 62.545 63.200 0.016 0.000 1.034 53 S HN 0.689 nan 8.310 nan 0.000 0.478 54 T N -4.419 110.143 114.554 0.015 0.000 3.170 54 T HA 0.593 4.943 4.350 0.000 0.000 0.288 54 T C 1.421 176.116 174.700 -0.008 0.000 0.992 54 T CA 0.270 62.375 62.100 0.008 0.000 0.909 54 T CB 0.120 68.999 68.868 0.019 0.000 1.133 54 T HN 1.027 nan 8.240 nan 0.000 0.530 55 G N 1.592 110.379 108.800 -0.022 0.000 2.417 55 G HA2 -0.312 3.648 3.960 0.000 0.000 0.233 55 G HA3 -0.312 3.648 3.960 0.000 0.000 0.233 55 G C 0.480 175.320 174.900 -0.101 0.000 1.103 55 G CA 0.236 45.301 45.100 -0.058 0.000 0.647 55 G HN 0.766 nan 8.290 nan 0.000 0.512 56 S N 0.378 116.045 115.700 -0.056 0.000 2.671 56 S HA 0.733 5.203 4.470 0.000 0.000 0.272 56 S C -0.060 174.589 174.600 0.083 0.000 1.174 56 S CA 0.423 58.590 58.200 -0.056 0.000 1.004 56 S CB 0.661 63.885 63.200 0.040 0.000 1.077 56 S HN 1.125 nan 8.310 nan 0.000 0.553 57 W N -0.500 120.791 121.300 -0.016 0.000 2.992 57 W HA 0.633 5.293 4.660 0.000 0.000 0.342 57 W C -0.455 176.054 176.519 -0.017 0.000 1.176 57 W CA -1.995 55.338 57.345 -0.021 0.000 1.118 57 W CB -0.888 28.551 29.460 -0.035 0.000 1.457 57 W HN 0.718 nan 8.180 nan 0.000 0.573 58 S N 0.653 116.438 115.700 0.142 0.000 3.545 58 S HA -0.054 4.416 4.470 0.000 0.000 0.421 58 S C 0.487 175.062 174.600 -0.043 0.000 1.160 58 S CA 0.709 58.910 58.200 0.002 0.000 1.002 58 S CB -0.722 62.437 63.200 -0.069 0.000 0.703 58 S HN 0.802 nan 8.310 nan 0.000 0.505 59 T N 3.789 118.348 114.554 0.008 0.000 2.934 59 T HA 0.130 4.480 4.350 0.000 0.000 0.321 59 T C 0.428 175.097 174.700 -0.051 0.000 1.080 59 T CA -0.233 61.870 62.100 0.006 0.000 1.132 59 T CB -0.453 68.423 68.868 0.014 0.000 1.039 59 T HN 0.777 nan 8.240 nan 0.000 0.543 60 L N 3.012 124.209 121.223 -0.044 0.000 2.288 60 L HA 0.657 4.997 4.340 0.000 0.000 0.283 60 L C -0.101 176.730 176.870 -0.064 0.000 1.072 60 L CA -0.645 54.149 54.840 -0.077 0.000 0.862 60 L CB 0.051 42.071 42.059 -0.066 0.000 1.245 60 L HN 0.477 nan 8.230 nan 0.000 0.432 61 K N 1.890 122.240 120.400 -0.083 0.000 2.508 61 K HA 0.584 4.904 4.320 0.000 0.000 0.260 61 K C -0.235 176.297 176.600 -0.114 0.000 0.949 61 K CA -0.817 55.426 56.287 -0.074 0.000 0.834 61 K CB 2.589 35.062 32.500 -0.045 0.000 1.365 61 K HN 0.612 nan 8.250 nan 0.000 0.437 62 T N -0.290 114.202 114.554 -0.103 0.000 2.793 62 T HA 0.047 4.397 4.350 0.000 0.000 0.299 62 T C 1.025 175.678 174.700 -0.078 0.000 1.038 62 T CA -0.642 61.380 62.100 -0.130 0.000 0.948 62 T CB 0.400 69.232 68.868 -0.061 0.000 1.231 62 T HN 0.377 nan 8.240 nan 0.000 0.538 63 Q N 0.266 120.031 119.800 -0.058 0.000 2.451 63 Q HA 0.027 4.367 4.340 0.000 0.000 0.206 63 Q C 0.898 176.892 176.000 -0.009 0.000 0.947 63 Q CA 0.651 56.437 55.803 -0.029 0.000 0.937 63 Q CB -0.243 28.484 28.738 -0.018 0.000 1.025 63 Q HN 0.598 nan 8.270 nan 0.000 0.511 64 D N 0.181 120.581 120.400 -0.001 0.000 2.349 64 D HA -0.033 4.607 4.640 0.000 0.000 0.215 64 D C 0.404 176.705 176.300 0.002 0.000 1.016 64 D CA 0.104 54.109 54.000 0.009 0.000 0.870 64 D CB 0.284 41.100 40.800 0.026 0.000 0.917 64 D HN -0.058 nan 8.370 nan 0.000 0.524 65 Q N -0.501 119.293 119.800 -0.010 0.000 2.393 65 Q HA -0.190 4.150 4.340 0.000 0.000 0.235 65 Q C 0.147 176.144 176.000 -0.004 0.000 0.823 65 Q CA 0.578 56.374 55.803 -0.011 0.000 1.284 65 Q CB -1.259 27.475 28.738 -0.007 0.000 1.669 65 Q HN 0.050 nan 8.270 nan 0.000 0.597 66 K N 1.608 122.009 120.400 0.002 0.000 2.715 66 K HA 0.080 4.400 4.320 0.000 0.000 0.248 66 K C -0.786 175.817 176.600 0.006 0.000 1.276 66 K CA 0.289 56.582 56.287 0.010 0.000 1.209 66 K CB -0.849 31.665 32.500 0.022 0.000 1.509 66 K HN 0.298 nan 8.250 nan 0.000 0.261 67 T N 0.826 115.379 114.554 -0.001 0.000 2.138 67 T HA -0.157 4.193 4.350 0.000 0.000 0.288 67 T C 0.514 175.213 174.700 -0.002 0.000 1.065 67 T CA 0.311 62.408 62.100 -0.005 0.000 2.653 67 T CB -0.397 68.473 68.868 0.003 0.000 0.963 67 T HN 0.054 nan 8.240 nan 0.000 0.355 68 V N 5.382 125.284 119.914 -0.019 0.000 2.732 68 V HA 0.317 4.437 4.120 0.000 0.000 0.297 68 V C 1.386 177.477 176.094 -0.005 0.000 1.060 68 V CA -0.822 61.472 62.300 -0.011 0.000 1.038 68 V CB 1.088 32.874 31.823 -0.060 0.000 1.003 68 V HN 0.786 nan 8.190 nan 0.000 0.481 69 R N 3.484 123.992 120.500 0.013 0.000 2.225 69 R HA 0.338 4.678 4.340 0.000 0.000 0.139 69 R C 0.039 176.338 176.300 -0.001 0.000 0.745 69 R CA -0.690 55.418 56.100 0.013 0.000 1.634 69 R CB -0.347 29.965 30.300 0.020 0.000 1.019 69 R HN 0.509 nan 8.270 nan 0.000 0.629 70 K N 0.748 121.150 120.400 0.003 0.000 2.469 70 K HA 0.207 4.527 4.320 0.000 0.000 0.274 70 K C 0.109 176.667 176.600 -0.071 0.000 0.983 70 K CA 0.151 56.428 56.287 -0.016 0.000 0.974 70 K CB 0.205 32.707 32.500 0.003 0.000 0.913 70 K HN 0.601 nan 8.250 nan 0.000 0.493 71 A N 3.132 125.849 122.820 -0.172 0.000 2.584 71 A HA -0.076 4.244 4.320 0.000 0.000 0.239 71 A C -0.256 177.210 177.584 -0.197 0.000 1.043 71 A CA 0.522 52.345 52.037 -0.358 0.000 0.756 71 A CB -0.112 18.357 19.000 -0.886 0.000 0.963 71 A HN 0.688 nan 8.150 nan 0.000 0.511 72 E N 0.716 120.862 120.200 -0.090 0.000 2.244 72 E HA 0.458 4.808 4.350 0.000 0.000 0.266 72 E C -1.167 175.398 176.600 -0.058 0.000 0.914 72 E CA -0.650 55.733 56.400 -0.029 0.000 0.794 72 E CB 2.010 31.755 29.700 0.074 0.000 1.210 72 E HN 0.573 nan 8.360 nan 0.000 0.414 73 c N 3.668 122.181 118.600 -0.145 0.000 2.787 73 c HA 0.340 4.910 4.570 0.000 0.000 0.265 73 c C 0.512 174.418 174.090 -0.307 0.000 1.190 73 c CA -0.446 55.762 56.329 -0.201 0.000 1.616 73 c CB -1.428 40.951 42.510 -0.218 0.000 1.732 73 c HN 0.709 nan 8.230 nan 0.000 0.433 74 R N 1.630 121.891 120.500 -0.399 0.000 3.038 74 R HA 0.548 4.888 4.340 0.000 0.000 0.263 74 R C 0.797 176.897 176.300 -0.334 0.000 1.208 74 R CA 0.316 56.145 56.100 -0.451 0.000 1.116 74 R CB 0.319 30.260 30.300 -0.598 0.000 1.045 74 R HN 0.710 nan 8.270 nan 0.000 0.549 75 A N 0.298 122.954 122.820 -0.274 0.000 2.420 75 A HA 0.509 4.829 4.320 0.000 0.000 0.291 75 A C -0.184 177.122 177.584 -0.464 0.000 1.228 75 A CA -0.637 51.305 52.037 -0.158 0.000 0.933 75 A CB 0.456 19.371 19.000 -0.142 0.000 1.428 75 A HN 0.510 nan 8.150 nan 0.000 0.493 76 I N -0.473 119.796 120.570 -0.503 0.000 2.498 76 I HA 0.404 4.574 4.170 0.000 0.000 0.301 76 I C -1.013 174.821 176.117 -0.471 0.000 0.984 76 I CA -0.340 60.744 61.300 -0.360 0.000 1.204 76 I CB 1.296 39.131 38.000 -0.276 0.000 1.362 76 I HN 0.707 nan 8.210 nan 0.000 0.471 77 H N 3.664 122.870 119.070 0.227 0.000 3.018 77 H HA 0.291 4.847 4.556 0.000 0.000 0.334 77 H C -0.788 174.687 175.328 0.246 0.000 0.983 77 H CA -0.522 55.672 56.048 0.243 0.000 1.363 77 H CB 1.275 31.201 29.762 0.274 0.000 1.668 77 H HN 0.503 nan 8.280 nan 0.000 0.513 78 c N 4.336 123.057 118.600 0.202 0.000 2.657 78 c HA 0.183 4.753 4.570 0.000 0.000 0.404 78 c C -1.690 172.630 174.090 0.384 0.000 1.291 78 c CA -1.089 55.265 56.329 0.040 0.000 2.218 78 c CB -0.119 41.943 42.510 -0.747 0.000 2.687 78 c HN 0.638 nan 8.230 nan 0.000 0.634 79 P HA 0.088 nan 4.420 nan 0.000 0.264 79 P C -0.552 177.078 177.300 0.550 0.000 1.183 79 P CA 0.538 63.893 63.100 0.424 0.000 0.763 79 P CB 0.281 32.178 31.700 0.328 0.000 0.807 80 R N 4.788 125.558 120.500 0.451 0.000 2.254 80 R HA 0.288 4.628 4.340 0.000 0.000 0.318 80 R C -2.163 174.288 176.300 0.251 0.000 1.031 80 R CA -1.849 54.523 56.100 0.452 0.000 0.905 80 R CB 0.164 30.734 30.300 0.450 0.000 1.050 80 R HN 0.309 nan 8.270 nan 0.000 0.456 81 P HA 0.001 nan 4.420 nan 0.000 0.259 81 P C -0.419 176.825 177.300 -0.094 0.000 1.635 81 P CA 0.169 63.115 63.100 -0.256 0.000 1.199 81 P CB -0.381 30.845 31.700 -0.791 0.000 1.850 82 H N -0.713 118.395 119.070 0.065 0.000 2.566 82 H HA 0.341 4.897 4.556 0.000 0.000 0.280 82 H C -0.253 175.150 175.328 0.127 0.000 1.042 82 H CA -0.368 55.757 56.048 0.128 0.000 1.168 82 H CB -0.130 29.704 29.762 0.120 0.000 1.340 82 H HN 0.045 nan 8.280 nan 0.000 0.597 83 D N 0.201 120.528 120.400 -0.122 0.000 2.614 83 D HA 0.214 4.854 4.640 0.000 0.000 0.203 83 D C -1.958 174.386 176.300 0.073 0.000 1.312 83 D CA -0.622 53.361 54.000 -0.029 0.000 0.889 83 D CB 0.463 41.172 40.800 -0.151 0.000 1.615 83 D HN 0.193 nan 8.370 nan 0.000 0.567 84 F N 3.038 122.987 119.950 -0.002 0.000 2.605 84 F HA 0.380 4.907 4.527 0.000 0.000 0.320 84 F C -1.173 174.660 175.800 0.054 0.000 1.159 84 F CA -0.544 57.461 58.000 0.009 0.000 0.999 84 F CB 1.463 40.506 39.000 0.071 0.000 1.258 84 F HN 0.276 nan 8.300 nan 0.000 0.464 85 E N 3.490 123.359 120.200 -0.553 0.000 2.263 85 E HA 0.453 4.803 4.350 0.000 0.000 0.264 85 E C -0.597 175.703 176.600 -0.500 0.000 0.923 85 E CA -0.992 55.212 56.400 -0.326 0.000 0.802 85 E CB 1.263 30.845 29.700 -0.197 0.000 1.228 85 E HN 0.570 nan 8.360 nan 0.000 0.417 86 N N -0.607 117.957 118.700 -0.227 0.000 2.714 86 N HA -0.168 4.572 4.740 0.000 0.000 0.250 86 N C -0.348 174.909 175.510 -0.421 0.000 1.117 86 N CA 1.569 54.380 53.050 -0.397 0.000 0.719 86 N CB -1.348 36.664 38.487 -0.792 0.000 1.081 86 N HN 0.883 nan 8.380 nan 0.000 0.557 87 G N -1.367 107.203 108.800 -0.383 0.000 2.428 87 G HA2 0.539 4.499 3.960 0.000 0.000 0.305 87 G HA3 0.539 4.499 3.960 0.000 0.000 0.305 87 G C -2.048 172.834 174.900 -0.030 0.000 1.260 87 G CA -0.221 44.659 45.100 -0.367 0.000 0.853 87 G HN 0.218 nan 8.290 nan 0.000 0.480 88 E N -1.220 119.083 120.200 0.172 0.000 2.335 88 E HA 0.598 4.948 4.350 0.000 0.000 0.280 88 E C -1.700 174.938 176.600 0.062 0.000 0.918 88 E CA -0.845 55.634 56.400 0.132 0.000 0.765 88 E CB 1.496 31.220 29.700 0.039 0.000 1.218 88 E HN 0.833 nan 8.360 nan 0.000 0.425 89 Y N 2.681 122.856 120.300 -0.208 0.000 2.468 89 Y HA 0.933 5.483 4.550 0.000 0.000 0.342 89 Y C -0.975 174.840 175.900 -0.143 0.000 1.021 89 Y CA -1.075 56.733 58.100 -0.487 0.000 1.079 89 Y CB 1.214 39.106 38.460 -0.946 0.000 1.226 89 Y HN 0.503 nan 8.280 nan 0.000 0.460 90 W N 1.421 122.476 121.300 -0.408 0.000 3.248 90 W HA 0.645 5.305 4.660 0.000 0.000 0.311 90 W C -3.580 172.830 176.519 -0.182 0.000 1.258 90 W CA -2.255 54.913 57.345 -0.294 0.000 1.191 90 W CB 1.086 30.402 29.460 -0.240 0.000 1.389 90 W HN 0.443 nan 8.180 nan 0.000 0.561 91 P HA 0.393 nan 4.420 nan 0.000 0.277 91 P C -0.625 176.777 177.300 0.171 0.000 1.271 91 P CA -0.334 62.891 63.100 0.208 0.000 0.795 91 P CB 0.892 32.709 31.700 0.195 0.000 1.101 92 R N 0.411 120.960 120.500 0.082 0.000 2.387 92 R HA 0.667 5.007 4.340 0.000 0.000 0.314 92 R C -0.654 175.636 176.300 -0.016 0.000 0.958 92 R CA -0.358 55.804 56.100 0.103 0.000 0.846 92 R CB 1.330 31.607 30.300 -0.038 0.000 1.147 92 R HN 0.455 nan 8.270 nan 0.000 0.447 93 S N 2.467 118.055 115.700 -0.186 0.000 2.569 93 S HA 0.297 4.767 4.470 0.000 0.000 0.280 93 S C -2.113 172.243 174.600 -0.407 0.000 1.111 93 S CA -1.136 56.818 58.200 -0.409 0.000 0.887 93 S CB 2.241 65.062 63.200 -0.632 0.000 1.095 93 S HN 0.407 nan 8.310 nan 0.000 0.476 94 P HA 0.025 nan 4.420 nan 0.000 0.226 94 P C -0.674 176.626 177.300 -0.000 0.000 1.146 94 P CA 1.197 64.233 63.100 -0.106 0.000 0.773 94 P CB -0.210 31.478 31.700 -0.021 0.000 0.772 95 Y N -5.596 114.566 120.300 -0.230 0.000 2.583 95 Y HA 0.494 5.045 4.550 0.000 0.000 0.330 95 Y C -1.735 174.074 175.900 -0.152 0.000 1.185 95 Y CA -1.957 56.064 58.100 -0.132 0.000 1.107 95 Y CB -0.068 38.275 38.460 -0.196 0.000 1.344 95 Y HN -0.290 nan 8.280 nan 0.000 0.463 96 Y N 2.773 123.337 120.300 0.440 0.000 2.356 96 Y HA 0.443 4.993 4.550 0.000 0.000 0.334 96 Y C 0.196 176.255 175.900 0.265 0.000 0.958 96 Y CA -0.789 57.500 58.100 0.315 0.000 1.196 96 Y CB 0.938 39.611 38.460 0.356 0.000 1.137 96 Y HN 0.658 nan 8.280 nan 0.000 0.485 97 N N 0.759 119.655 118.700 0.327 0.000 2.267 97 N HA 0.157 4.897 4.740 0.000 0.000 0.266 97 N C -0.341 175.158 175.510 -0.018 0.000 1.295 97 N CA -0.404 52.706 53.050 0.100 0.000 0.914 97 N CB 0.356 38.904 38.487 0.102 0.000 1.083 97 N HN 0.243 nan 8.380 nan 0.000 0.507 98 V N 0.527 120.385 119.914 -0.093 0.000 2.924 98 V HA 0.069 4.189 4.120 0.000 0.000 0.305 98 V C 0.900 176.953 176.094 -0.069 0.000 1.073 98 V CA 0.221 62.446 62.300 -0.124 0.000 1.098 98 V CB 0.780 32.509 31.823 -0.156 0.000 1.000 98 V HN 0.958 nan 8.190 nan 0.000 0.484 99 S N 0.680 116.331 115.700 -0.082 0.000 3.521 99 S HA -0.194 4.276 4.470 0.000 0.000 0.328 99 S C -0.169 174.435 174.600 0.006 0.000 1.165 99 S CA 1.058 59.236 58.200 -0.036 0.000 0.941 99 S CB -2.056 61.132 63.200 -0.021 0.000 0.951 99 S HN 0.865 nan 8.310 nan 0.000 0.539 100 D N 2.143 122.555 120.400 0.019 0.000 2.264 100 D HA 0.528 5.168 4.640 0.000 0.000 0.250 100 D C 0.367 176.765 176.300 0.162 0.000 1.113 100 D CA -0.095 53.974 54.000 0.115 0.000 0.871 100 D CB 0.925 41.863 40.800 0.229 0.000 1.167 100 D HN 0.619 nan 8.370 nan 0.000 0.447 101 E N 1.347 121.619 120.200 0.120 0.000 2.191 101 E HA 0.612 4.962 4.350 0.000 0.000 0.274 101 E C -0.151 176.418 176.600 -0.051 0.000 0.948 101 E CA -0.797 55.641 56.400 0.063 0.000 0.802 101 E CB 2.049 31.741 29.700 -0.014 0.000 1.137 101 E HN 0.434 nan 8.360 nan 0.000 0.397 102 I N -1.338 119.114 120.570 -0.197 0.000 2.686 102 I HA 0.573 4.743 4.170 0.000 0.000 0.295 102 I C -0.534 175.164 176.117 -0.698 0.000 1.114 102 I CA -0.852 60.139 61.300 -0.514 0.000 1.038 102 I CB 2.223 39.803 38.000 -0.699 0.000 1.238 102 I HN 0.428 nan 8.210 nan 0.000 0.420 103 S N 3.736 118.842 115.700 -0.991 0.000 2.568 103 S HA 0.794 5.264 4.470 0.000 0.000 0.302 103 S C -1.036 172.994 174.600 -0.950 0.000 1.082 103 S CA -0.582 57.107 58.200 -0.853 0.000 1.009 103 S CB 1.558 64.238 63.200 -0.867 0.000 1.069 103 S HN 0.519 nan 8.310 nan 0.000 0.500 104 F N 0.990 120.774 119.950 -0.275 0.000 2.522 104 F HA 0.564 5.091 4.527 0.000 0.000 0.324 104 F C 0.452 176.279 175.800 0.045 0.000 1.077 104 F CA -0.536 57.351 58.000 -0.188 0.000 0.944 104 F CB 1.891 40.734 39.000 -0.262 0.000 1.175 104 F HN 0.739 nan 8.300 nan 0.000 0.468 105 H N 2.037 121.210 119.070 0.171 0.000 3.083 105 H HA 0.355 4.911 4.556 0.000 0.000 0.339 105 H C -1.307 174.070 175.328 0.083 0.000 1.020 105 H CA -0.663 55.471 56.048 0.143 0.000 1.360 105 H CB 1.521 31.378 29.762 0.158 0.000 1.811 105 H HN 0.757 nan 8.280 nan 0.000 0.493 106 c N 4.053 122.498 118.600 -0.258 0.000 2.580 106 c HA 0.244 4.814 4.570 0.000 0.000 0.371 106 c C 0.639 174.618 174.090 -0.184 0.000 1.308 106 c CA -0.434 55.779 56.329 -0.193 0.000 2.428 106 c CB -0.429 42.044 42.510 -0.061 0.000 2.529 106 c HN 0.623 nan 8.230 nan 0.000 0.657 107 Y N 0.109 120.448 120.300 0.064 0.000 2.230 107 Y HA 0.168 4.718 4.550 0.000 0.000 0.354 107 Y C 0.933 176.977 175.900 0.239 0.000 1.343 107 Y CA 0.216 58.414 58.100 0.163 0.000 1.693 107 Y CB 0.097 38.633 38.460 0.128 0.000 1.553 107 Y HN 0.535 nan 8.280 nan 0.000 0.599 108 D N 0.045 120.701 120.400 0.426 0.000 2.383 108 D HA 0.327 4.967 4.640 0.000 0.000 0.252 108 D C 0.936 177.375 176.300 0.232 0.000 1.166 108 D CA 1.283 55.442 54.000 0.265 0.000 0.879 108 D CB 0.654 41.567 40.800 0.188 0.000 1.164 108 D HN 0.774 nan 8.370 nan 0.000 0.462 109 G N 1.625 110.494 108.800 0.115 0.000 2.159 109 G HA2 -0.239 3.721 3.960 0.000 0.000 0.227 109 G HA3 -0.239 3.721 3.960 0.000 0.000 0.227 109 G C -0.356 174.406 174.900 -0.230 0.000 0.986 109 G CA -0.336 44.726 45.100 -0.062 0.000 0.651 109 G HN 0.442 nan 8.290 nan 0.000 0.523 110 Y N 0.584 120.912 120.300 0.047 0.000 2.446 110 Y HA 0.636 5.186 4.550 0.000 0.000 0.345 110 Y C 0.660 176.553 175.900 -0.011 0.000 0.984 110 Y CA -0.506 57.609 58.100 0.025 0.000 1.058 110 Y CB 2.184 40.671 38.460 0.045 0.000 1.220 110 Y HN 0.057 nan 8.280 nan 0.000 0.455 111 T N 4.348 118.976 114.554 0.122 0.000 2.837 111 T HA 0.359 4.709 4.350 0.000 0.000 0.285 111 T C -1.080 173.642 174.700 0.038 0.000 0.984 111 T CA -0.515 61.615 62.100 0.049 0.000 1.049 111 T CB 0.800 69.677 68.868 0.015 0.000 0.947 111 T HN 0.336 nan 8.240 nan 0.000 0.472 112 L N 5.304 126.531 121.223 0.007 0.000 2.262 112 L HA 0.499 4.839 4.340 0.000 0.000 0.288 112 L C 0.220 177.080 176.870 -0.017 0.000 1.035 112 L CA -0.470 54.368 54.840 -0.003 0.000 0.820 112 L CB 0.213 42.268 42.059 -0.006 0.000 1.204 112 L HN 0.647 nan 8.230 nan 0.000 0.424 113 R N 3.916 124.396 120.500 -0.034 0.000 2.604 113 R HA 0.968 5.308 4.340 0.000 0.000 0.287 113 R C 0.115 176.376 176.300 -0.065 0.000 0.970 113 R CA -0.149 55.923 56.100 -0.047 0.000 0.946 113 R CB 1.363 31.631 30.300 -0.053 0.000 1.127 113 R HN 0.865 nan 8.270 nan 0.000 0.473 114 G N 1.044 109.809 108.800 -0.058 0.000 2.472 114 G HA2 -0.192 3.768 3.960 0.000 0.000 0.205 114 G HA3 -0.192 3.768 3.960 0.000 0.000 0.205 114 G C -1.105 173.764 174.900 -0.053 0.000 1.270 114 G CA -0.423 44.635 45.100 -0.070 0.000 0.974 114 G HN 0.634 nan 8.290 nan 0.000 0.542 115 S N 0.789 116.450 115.700 -0.064 0.000 2.452 115 S HA 0.576 5.046 4.470 0.000 0.000 0.284 115 S C 1.333 175.931 174.600 -0.002 0.000 1.171 115 S CA 0.649 58.834 58.200 -0.026 0.000 1.064 115 S CB 1.349 64.540 63.200 -0.016 0.000 0.967 115 S HN 1.700 nan 8.310 nan 0.000 0.484 116 A N 3.943 126.786 122.820 0.039 0.000 1.897 116 A HA 0.049 4.369 4.320 0.000 0.000 0.215 116 A C 0.643 178.292 177.584 0.108 0.000 1.181 116 A CA 0.846 52.942 52.037 0.099 0.000 0.620 116 A CB -0.152 18.893 19.000 0.075 0.000 0.821 116 A HN 0.656 nan 8.150 nan 0.000 0.443 117 N N 0.676 119.398 118.700 0.036 0.000 2.424 117 N HA 0.496 5.236 4.740 0.000 0.000 0.271 117 N C -0.902 174.624 175.510 0.027 0.000 0.985 117 N CA -0.117 52.921 53.050 -0.019 0.000 0.921 117 N CB 1.236 39.696 38.487 -0.045 0.000 1.149 117 N HN 0.308 nan 8.380 nan 0.000 0.492 118 R N 0.728 121.249 120.500 0.035 0.000 2.621 118 R HA 0.585 4.925 4.340 0.000 0.000 0.292 118 R C -0.737 175.705 176.300 0.236 0.000 0.969 118 R CA -0.702 55.477 56.100 0.131 0.000 0.887 118 R CB 1.880 32.270 30.300 0.149 0.000 1.180 118 R HN 0.334 nan 8.270 nan 0.000 0.450 119 T N 1.081 115.786 114.554 0.251 0.000 2.829 119 T HA 0.140 4.490 4.350 0.000 0.000 0.280 119 T C -0.373 174.379 174.700 0.086 0.000 0.999 119 T CA -0.479 61.739 62.100 0.196 0.000 0.983 119 T CB 1.517 70.426 68.868 0.069 0.000 0.968 119 T HN 0.632 nan 8.240 nan 0.000 0.446 120 c N 4.898 123.379 118.600 -0.198 0.000 2.651 120 c HA 0.232 4.802 4.570 0.000 0.000 0.410 120 c C 0.719 174.632 174.090 -0.296 0.000 1.372 120 c CA -0.052 55.909 56.329 -0.614 0.000 1.707 120 c CB -1.463 40.566 42.510 -0.802 0.000 2.501 120 c HN 0.825 nan 8.230 nan 0.000 0.598 121 Q N 3.054 122.697 119.800 -0.261 0.000 2.162 121 Q HA 0.218 4.558 4.340 0.000 0.000 0.197 121 Q C 1.082 176.992 176.000 -0.150 0.000 1.013 121 Q CA -0.566 55.147 55.803 -0.151 0.000 1.040 121 Q CB 0.989 29.665 28.738 -0.103 0.000 1.114 121 Q HN 0.674 nan 8.270 nan 0.000 0.547 122 V N 1.309 121.168 119.914 -0.093 0.000 2.809 122 V HA -0.155 3.965 4.120 0.000 0.000 0.256 122 V C 1.065 177.140 176.094 -0.032 0.000 1.080 122 V CA 1.843 64.099 62.300 -0.075 0.000 1.102 122 V CB -0.525 31.280 31.823 -0.030 0.000 0.705 122 V HN 0.793 nan 8.190 nan 0.000 0.475 123 N N 0.917 119.563 118.700 -0.090 0.000 2.413 123 N HA 0.151 4.891 4.740 0.000 0.000 0.207 123 N C 1.231 176.584 175.510 -0.261 0.000 1.206 123 N CA 0.705 53.568 53.050 -0.311 0.000 0.832 123 N CB -0.478 37.705 38.487 -0.506 0.000 1.037 123 N HN 0.587 nan 8.380 nan 0.000 0.467 124 G N -0.148 108.597 108.800 -0.092 0.000 2.203 124 G HA2 -0.346 3.614 3.960 0.000 0.000 0.263 124 G HA3 -0.346 3.614 3.960 0.000 0.000 0.263 124 G C -0.125 174.650 174.900 -0.209 0.000 1.012 124 G CA 0.402 45.484 45.100 -0.031 0.000 0.749 124 G HN 0.568 nan 8.290 nan 0.000 0.512 125 R N -2.049 118.292 120.500 -0.264 0.000 2.888 125 R HA 0.599 4.939 4.340 0.000 0.000 0.266 125 R C -0.787 175.337 176.300 -0.294 0.000 1.020 125 R CA -1.007 54.952 56.100 -0.235 0.000 0.963 125 R CB 1.097 31.312 30.300 -0.141 0.000 1.197 125 R HN 0.160 nan 8.270 nan 0.000 0.481 126 W N 1.076 122.342 121.300 -0.057 0.000 2.365 126 W HA 0.263 4.923 4.660 0.000 0.000 0.316 126 W C 0.731 177.220 176.519 -0.051 0.000 1.164 126 W CA -0.280 57.033 57.345 -0.054 0.000 1.204 126 W CB 1.244 30.667 29.460 -0.061 0.000 1.213 126 W HN 0.535 nan 8.180 nan 0.000 0.539 127 S N 2.467 118.282 115.700 0.192 0.000 2.608 127 S HA 0.748 5.218 4.470 0.000 0.000 0.261 127 S C 0.703 175.358 174.600 0.093 0.000 1.314 127 S CA 0.072 58.333 58.200 0.101 0.000 0.992 127 S CB 0.752 63.995 63.200 0.071 0.000 0.935 127 S HN 1.422 nan 8.310 nan 0.000 0.564 128 G N 0.710 109.538 108.800 0.047 0.000 2.752 128 G HA2 -0.113 3.847 3.960 0.000 0.000 0.234 128 G HA3 -0.113 3.847 3.960 0.000 0.000 0.234 128 G C -0.706 174.192 174.900 -0.002 0.000 1.367 128 G CA -0.189 44.923 45.100 0.020 0.000 0.879 128 G HN 0.875 nan 8.290 nan 0.000 0.563 129 Q N -0.752 119.028 119.800 -0.034 0.000 2.166 129 Q HA 0.584 4.924 4.340 0.000 0.000 0.226 129 Q C 0.567 176.494 176.000 -0.121 0.000 0.989 129 Q CA -0.267 55.496 55.803 -0.066 0.000 0.966 129 Q CB 0.293 28.991 28.738 -0.067 0.000 1.173 129 Q HN 0.689 nan 8.270 nan 0.000 0.509 130 T N 1.209 115.672 114.554 -0.151 0.000 2.851 130 T HA 0.376 4.726 4.350 0.000 0.000 0.298 130 T C -0.209 174.320 174.700 -0.284 0.000 0.977 130 T CA -0.329 61.633 62.100 -0.230 0.000 1.126 130 T CB 0.478 69.228 68.868 -0.196 0.000 0.916 130 T HN 0.542 nan 8.240 nan 0.000 0.529 131 A N 4.426 126.955 122.820 -0.485 0.000 2.354 131 A HA 0.623 4.943 4.320 0.000 0.000 0.281 131 A C -0.085 177.357 177.584 -0.236 0.000 1.174 131 A CA -0.466 51.283 52.037 -0.481 0.000 0.828 131 A CB -0.228 18.093 19.000 -1.131 0.000 1.099 131 A HN 0.852 nan 8.150 nan 0.000 0.516 132 I N 1.781 122.262 120.570 -0.149 0.000 2.533 132 I HA 0.247 4.417 4.170 0.000 0.000 0.290 132 I C -0.885 175.167 176.117 -0.109 0.000 1.056 132 I CA -0.465 60.745 61.300 -0.150 0.000 1.057 132 I CB 2.205 40.108 38.000 -0.162 0.000 1.240 132 I HN 0.513 nan 8.210 nan 0.000 0.423 133 c N 3.771 122.267 118.600 -0.173 0.000 2.206 133 c HA 0.395 4.965 4.570 0.000 0.000 0.324 133 c C -0.005 174.081 174.090 -0.007 0.000 1.120 133 c CA -0.378 55.892 56.329 -0.097 0.000 1.546 133 c CB -0.659 41.730 42.510 -0.203 0.000 2.023 133 c HN 0.598 nan 8.230 nan 0.000 0.448 134 D N 1.806 122.252 120.400 0.077 0.000 2.198 134 D HA 0.294 4.934 4.640 0.000 0.000 0.247 134 D C 0.844 177.266 176.300 0.203 0.000 1.010 134 D CA -0.264 53.807 54.000 0.119 0.000 0.880 134 D CB 1.103 41.893 40.800 -0.016 0.000 1.209 134 D HN 0.519 nan 8.370 nan 0.000 0.451 135 N N 2.082 120.879 118.700 0.161 0.000 2.356 135 N HA 0.112 4.852 4.740 0.000 0.000 0.178 135 N C 0.949 176.428 175.510 -0.052 0.000 1.075 135 N CA 0.465 53.450 53.050 -0.107 0.000 0.889 135 N CB 0.084 38.340 38.487 -0.385 0.000 0.999 135 N HN 0.578 nan 8.380 nan 0.000 0.464 136 G N -0.275 108.533 108.800 0.012 0.000 2.326 136 G HA2 -0.051 3.909 3.960 0.000 0.000 0.286 136 G HA3 -0.051 3.909 3.960 0.000 0.000 0.286 136 G C 0.503 175.418 174.900 0.026 0.000 1.096 136 G CA 0.290 45.399 45.100 0.015 0.000 1.003 136 G HN 0.848 nan 8.290 nan 0.000 0.503 137 A N -0.983 121.878 122.820 0.069 0.000 2.456 137 A HA 0.748 5.068 4.320 0.000 0.000 0.237 137 A C 1.367 179.027 177.584 0.127 0.000 1.217 137 A CA 1.315 53.395 52.037 0.071 0.000 0.962 137 A CB 0.498 19.532 19.000 0.057 0.000 1.079 137 A HN 1.845 nan 8.150 nan 0.000 0.536 138 G N -2.524 106.390 108.800 0.190 0.000 2.434 138 G HA2 0.381 4.341 3.960 0.000 0.000 0.330 138 G HA3 0.381 4.341 3.960 0.000 0.000 0.330 138 G C 0.334 175.367 174.900 0.222 0.000 1.155 138 G CA -0.372 44.884 45.100 0.260 0.000 0.917 138 G HN 0.180 nan 8.290 nan 0.000 0.493 139 Y N 0.023 120.392 120.300 0.115 0.000 2.207 139 Y HA -0.116 4.434 4.550 0.000 0.000 0.287 139 Y C 1.286 177.206 175.900 0.034 0.000 1.156 139 Y CA 0.794 58.936 58.100 0.070 0.000 1.182 139 Y CB 0.092 38.564 38.460 0.020 0.000 0.979 139 Y HN 0.383 nan 8.280 nan 0.000 0.521 140 c N 0.757 119.445 118.600 0.147 0.000 2.435 140 c HA 0.487 5.057 4.570 0.000 0.000 0.333 140 c C 0.233 174.453 174.090 0.217 0.000 1.202 140 c CA -0.988 55.374 56.329 0.056 0.000 1.830 140 c CB 0.791 43.138 42.510 -0.273 0.000 2.326 140 c HN 0.507 nan 8.230 nan 0.000 0.507 141 S N 2.092 117.899 115.700 0.178 0.000 2.573 141 S HA 0.026 4.496 4.470 0.000 0.000 0.277 141 S C -0.076 174.536 174.600 0.019 0.000 1.346 141 S CA -0.224 58.026 58.200 0.084 0.000 1.034 141 S CB 0.167 63.392 63.200 0.041 0.000 0.879 141 S HN 0.775 nan 8.310 nan 0.000 0.528 142 N N 2.572 121.096 118.700 -0.294 0.000 2.414 142 N HA 0.141 4.881 4.740 0.000 0.000 0.268 142 N C -1.679 173.563 175.510 -0.447 0.000 1.286 142 N CA -1.829 50.813 53.050 -0.679 0.000 0.896 142 N CB 0.424 38.572 38.487 -0.565 0.000 1.093 142 N HN 0.328 nan 8.380 nan 0.000 0.480 143 P HA 0.003 nan 4.420 nan 0.000 0.221 143 P C 0.309 177.444 177.300 -0.274 0.000 1.145 143 P CA 1.112 63.895 63.100 -0.529 0.000 0.795 143 P CB -0.252 30.985 31.700 -0.772 0.000 0.775 144 G N -0.286 108.364 108.800 -0.250 0.000 2.855 144 G HA2 -0.217 3.743 3.960 0.000 0.000 0.352 144 G HA3 -0.217 3.743 3.960 0.000 0.000 0.352 144 G C -0.628 174.227 174.900 -0.074 0.000 1.415 144 G CA -0.578 44.411 45.100 -0.184 0.000 0.871 144 G HN 0.187 nan 8.290 nan 0.000 0.543 145 I N 1.730 122.246 120.570 -0.090 0.000 2.464 145 I HA 0.266 4.436 4.170 0.000 0.000 0.277 145 I C -2.197 173.890 176.117 -0.049 0.000 1.040 145 I CA -1.830 59.467 61.300 -0.006 0.000 1.153 145 I CB 1.988 39.950 38.000 -0.063 0.000 1.274 145 I HN 0.179 nan 8.210 nan 0.000 0.469 146 P HA 0.047 nan 4.420 nan 0.000 0.265 146 P C 0.087 177.320 177.300 -0.110 0.000 1.187 146 P CA 0.091 63.120 63.100 -0.118 0.000 0.766 146 P CB 0.497 32.114 31.700 -0.138 0.000 0.820 147 I N 2.275 122.753 120.570 -0.153 0.000 2.752 147 I HA -0.014 4.156 4.170 0.000 0.000 0.286 147 I C 1.668 177.770 176.117 -0.024 0.000 1.180 147 I CA 1.372 62.575 61.300 -0.162 0.000 1.404 147 I CB -0.859 36.961 38.000 -0.300 0.000 1.389 147 I HN 0.771 nan 8.210 nan 0.000 0.549 148 G N 3.793 112.585 108.800 -0.013 0.000 2.238 148 G HA2 -0.238 3.722 3.960 0.000 0.000 0.217 148 G HA3 -0.238 3.722 3.960 0.000 0.000 0.217 148 G C 0.330 175.315 174.900 0.142 0.000 0.996 148 G CA 0.112 45.291 45.100 0.132 0.000 0.632 148 G HN 0.726 nan 8.290 nan 0.000 0.503 149 T N -2.197 112.362 114.554 0.008 0.000 2.884 149 T HA 0.717 5.067 4.350 0.000 0.000 0.277 149 T C 0.039 174.703 174.700 -0.060 0.000 0.976 149 T CA 0.111 62.261 62.100 0.084 0.000 0.956 149 T CB 2.265 71.218 68.868 0.143 0.000 1.113 149 T HN 0.776 nan 8.240 nan 0.000 0.554 150 R N 0.388 120.954 120.500 0.109 0.000 2.569 150 R HA 0.342 4.682 4.340 0.000 0.000 0.293 150 R C -0.945 175.343 176.300 -0.020 0.000 1.186 150 R CA -0.606 55.522 56.100 0.047 0.000 0.956 150 R CB 1.056 31.499 30.300 0.237 0.000 1.196 150 R HN 0.792 nan 8.270 nan 0.000 0.444 151 K N 3.330 123.616 120.400 -0.189 0.000 2.249 151 K HA 0.269 4.589 4.320 0.000 0.000 0.280 151 K C -1.019 175.433 176.600 -0.246 0.000 1.033 151 K CA -0.371 55.628 56.287 -0.480 0.000 0.946 151 K CB 1.278 33.464 32.500 -0.524 0.000 1.005 151 K HN 0.295 nan 8.250 nan 0.000 0.469 152 V N 3.096 122.862 119.914 -0.246 0.000 2.305 152 V HA 0.558 4.678 4.120 0.000 0.000 0.275 152 V C -0.207 175.815 176.094 -0.120 0.000 1.020 152 V CA -0.308 61.927 62.300 -0.109 0.000 0.811 152 V CB 0.863 32.681 31.823 -0.007 0.000 1.031 152 V HN 0.996 nan 8.190 nan 0.000 0.439 153 G N 2.852 111.583 108.800 -0.116 0.000 2.400 153 G HA2 0.123 4.084 3.960 0.000 0.000 0.199 153 G HA3 0.123 4.084 3.960 0.000 0.000 0.199 153 G C 0.176 174.964 174.900 -0.186 0.000 1.383 153 G CA 0.012 45.043 45.100 -0.115 0.000 1.117 153 G HN 0.788 nan 8.290 nan 0.000 0.621 154 S N 0.901 116.452 115.700 -0.247 0.000 2.486 154 S HA 0.141 4.611 4.470 0.000 0.000 0.220 154 S C 0.818 174.896 174.600 -0.871 0.000 1.011 154 S CA 0.269 58.212 58.200 -0.429 0.000 0.921 154 S CB 0.134 63.208 63.200 -0.211 0.000 0.785 154 S HN 0.668 nan 8.310 nan 0.000 0.517 155 Q N 0.916 120.419 119.800 -0.496 0.000 2.286 155 Q HA 0.191 4.531 4.340 0.000 0.000 0.267 155 Q C -1.010 174.817 176.000 -0.287 0.000 1.028 155 Q CA 0.004 55.591 55.803 -0.361 0.000 0.901 155 Q CB 0.313 28.978 28.738 -0.121 0.000 1.183 155 Q HN 0.584 nan 8.270 nan 0.000 0.392 156 Y N 1.092 121.526 120.300 0.224 0.000 2.734 156 Y HA 0.244 4.794 4.550 0.000 0.000 0.278 156 Y C 0.372 176.387 175.900 0.192 0.000 1.108 156 Y CA -0.518 57.800 58.100 0.364 0.000 1.211 156 Y CB 0.181 38.892 38.460 0.420 0.000 1.182 156 Y HN 0.392 nan 8.280 nan 0.000 0.547 157 R N 0.069 120.679 120.500 0.183 0.000 2.828 157 R HA 0.249 4.589 4.340 0.000 0.000 0.270 157 R C -0.366 175.919 176.300 -0.025 0.000 1.244 157 R CA -0.925 55.232 56.100 0.094 0.000 1.143 157 R CB 0.183 30.503 30.300 0.034 0.000 1.128 157 R HN 0.091 nan 8.270 nan 0.000 0.587 158 L N 1.402 122.533 121.223 -0.154 0.000 2.371 158 L HA 0.043 4.383 4.340 0.000 0.000 0.272 158 L C 0.260 177.011 176.870 -0.198 0.000 1.124 158 L CA 0.800 55.448 54.840 -0.319 0.000 0.816 158 L CB 0.175 41.886 42.059 -0.581 0.000 1.129 158 L HN 0.763 nan 8.230 nan 0.000 0.448 159 E N -0.135 119.949 120.200 -0.194 0.000 3.975 159 E HA -0.249 4.101 4.350 0.000 0.000 0.342 159 E C -0.349 176.219 176.600 -0.053 0.000 0.677 159 E CA 1.222 57.554 56.400 -0.113 0.000 1.238 159 E CB -1.043 28.601 29.700 -0.093 0.000 1.665 159 E HN 0.763 nan 8.360 nan 0.000 0.429 160 D N 0.274 120.648 120.400 -0.044 0.000 2.361 160 D HA 0.366 5.006 4.640 0.000 0.000 0.239 160 D C 0.016 176.423 176.300 0.178 0.000 1.200 160 D CA 0.367 54.403 54.000 0.059 0.000 0.915 160 D CB 0.949 41.807 40.800 0.097 0.000 1.170 160 D HN -0.063 nan 8.370 nan 0.000 0.444 161 S N -0.905 114.939 115.700 0.240 0.000 2.627 161 S HA 0.735 5.205 4.470 0.000 0.000 0.283 161 S C -0.913 173.829 174.600 0.237 0.000 1.127 161 S CA -0.878 57.514 58.200 0.321 0.000 0.863 161 S CB 1.915 65.222 63.200 0.177 0.000 1.121 161 S HN 0.344 nan 8.310 nan 0.000 0.479 162 V N -0.558 119.456 119.914 0.167 0.000 2.841 162 V HA 0.943 5.063 4.120 0.000 0.000 0.310 162 V C -0.414 175.631 176.094 -0.080 0.000 1.090 162 V CA -0.815 61.459 62.300 -0.043 0.000 0.930 162 V CB 1.276 32.966 31.823 -0.220 0.000 1.014 162 V HN 0.981 nan 8.190 nan 0.000 0.425 163 T N 0.886 115.334 114.554 -0.177 0.000 2.888 163 T HA 0.813 5.163 4.350 0.000 0.000 0.284 163 T C -1.131 173.342 174.700 -0.380 0.000 1.017 163 T CA -0.503 61.505 62.100 -0.153 0.000 1.022 163 T CB 1.615 70.459 68.868 -0.041 0.000 1.013 163 T HN 0.677 nan 8.240 nan 0.000 0.465 164 Y N -0.158 119.964 120.300 -0.298 0.000 2.485 164 Y HA 0.617 5.167 4.550 0.000 0.000 0.345 164 Y C -0.058 175.524 175.900 -0.530 0.000 0.998 164 Y CA -0.859 57.085 58.100 -0.259 0.000 1.059 164 Y CB 2.250 40.610 38.460 -0.166 0.000 1.234 164 Y HN 0.850 nan 8.280 nan 0.000 0.461 165 H N -0.211 118.962 119.070 0.171 0.000 2.877 165 H HA 0.471 5.027 4.556 0.000 0.000 0.347 165 H C -1.084 174.344 175.328 0.166 0.000 1.042 165 H CA -0.773 55.354 56.048 0.131 0.000 1.276 165 H CB 1.012 30.829 29.762 0.093 0.000 1.681 165 H HN 0.676 nan 8.280 nan 0.000 0.521 166 c N 1.659 120.393 118.600 0.223 0.000 2.422 166 c HA 0.440 5.010 4.570 0.000 0.000 0.364 166 c C 0.910 175.097 174.090 0.162 0.000 1.251 166 c CA -0.520 55.927 56.329 0.197 0.000 2.441 166 c CB 0.828 43.404 42.510 0.111 0.000 2.393 166 c HN 0.865 nan 8.230 nan 0.000 0.606 167 S N 0.255 116.034 115.700 0.131 0.000 2.606 167 S HA 0.173 4.643 4.470 0.000 0.000 0.257 167 S C 0.223 174.829 174.600 0.011 0.000 1.327 167 S CA -0.378 57.818 58.200 -0.007 0.000 0.984 167 S CB 0.194 63.381 63.200 -0.022 0.000 0.941 167 S HN 0.572 nan 8.310 nan 0.000 0.576 168 R N 0.705 121.196 120.500 -0.015 0.000 2.370 168 R HA 0.373 4.713 4.340 0.000 0.000 0.309 168 R C 1.171 177.476 176.300 0.008 0.000 1.059 168 R CA 0.653 56.752 56.100 -0.001 0.000 0.981 168 R CB -0.157 30.137 30.300 -0.009 0.000 0.972 168 R HN 1.003 nan 8.270 nan 0.000 0.437 169 G N 2.047 110.853 108.800 0.010 0.000 2.163 169 G HA2 -0.215 3.745 3.960 0.000 0.000 0.213 169 G HA3 -0.215 3.745 3.960 0.000 0.000 0.213 169 G C -0.443 174.458 174.900 0.003 0.000 0.991 169 G CA -0.585 44.519 45.100 0.006 0.000 0.653 169 G HN 0.358 nan 8.290 nan 0.000 0.518 170 L N 1.138 122.367 121.223 0.010 0.000 2.346 170 L HA 0.728 5.068 4.340 0.000 0.000 0.274 170 L C 0.386 177.259 176.870 0.004 0.000 1.007 170 L CA -0.497 54.344 54.840 0.002 0.000 0.818 170 L CB 2.074 44.147 42.059 0.022 0.000 1.284 170 L HN 0.045 nan 8.230 nan 0.000 0.424 171 T N 3.218 117.763 114.554 -0.014 0.000 2.744 171 T HA 0.397 4.747 4.350 0.000 0.000 0.291 171 T C -0.365 174.324 174.700 -0.017 0.000 0.957 171 T CA -0.346 61.748 62.100 -0.011 0.000 1.002 171 T CB 0.707 69.564 68.868 -0.017 0.000 0.919 171 T HN 0.321 nan 8.240 nan 0.000 0.468 172 L N 4.733 125.951 121.223 -0.008 0.000 2.418 172 L HA 0.350 4.690 4.340 0.000 0.000 0.274 172 L C 0.449 177.291 176.870 -0.047 0.000 1.135 172 L CA 0.196 55.021 54.840 -0.024 0.000 0.870 172 L CB -0.002 42.048 42.059 -0.015 0.000 1.154 172 L HN 0.536 nan 8.230 nan 0.000 0.462 173 R N 4.347 124.805 120.500 -0.070 0.000 2.460 173 R HA 0.697 5.037 4.340 0.000 0.000 0.303 173 R C 0.271 176.505 176.300 -0.110 0.000 0.968 173 R CA 0.294 56.342 56.100 -0.085 0.000 0.889 173 R CB 0.874 31.117 30.300 -0.094 0.000 1.123 173 R HN 0.985 nan 8.270 nan 0.000 0.455 174 G N 1.792 110.531 108.800 -0.102 0.000 2.464 174 G HA2 -0.218 3.742 3.960 0.000 0.000 0.216 174 G HA3 -0.218 3.742 3.960 0.000 0.000 0.216 174 G C -1.163 173.677 174.900 -0.100 0.000 1.186 174 G CA -0.313 44.720 45.100 -0.112 0.000 1.010 174 G HN 0.619 nan 8.290 nan 0.000 0.585 175 S N 0.712 116.341 115.700 -0.118 0.000 2.525 175 S HA 0.493 4.963 4.470 0.000 0.000 0.290 175 S C 1.059 175.609 174.600 -0.083 0.000 1.152 175 S CA 0.515 58.666 58.200 -0.081 0.000 1.072 175 S CB 1.654 64.823 63.200 -0.053 0.000 1.027 175 S HN 0.992 nan 8.310 nan 0.000 0.500 176 Q N 1.761 121.542 119.800 -0.032 0.000 2.384 176 Q HA 0.196 4.536 4.340 0.000 0.000 0.207 176 Q C 0.489 176.525 176.000 0.060 0.000 0.904 176 Q CA 0.437 56.234 55.803 -0.010 0.000 0.933 176 Q CB 0.333 29.037 28.738 -0.058 0.000 1.077 176 Q HN 0.530 nan 8.270 nan 0.000 0.522 177 R N 0.206 120.746 120.500 0.066 0.000 2.538 177 R HA 0.517 4.857 4.340 0.000 0.000 0.292 177 R C -1.454 174.924 176.300 0.130 0.000 1.008 177 R CA -0.620 55.540 56.100 0.099 0.000 0.896 177 R CB 1.307 31.645 30.300 0.063 0.000 1.187 177 R HN 0.101 nan 8.270 nan 0.000 0.440 178 R N 2.434 123.054 120.500 0.200 0.000 2.513 178 R HA 0.365 4.705 4.340 0.000 0.000 0.301 178 R C -1.084 175.508 176.300 0.488 0.000 0.968 178 R CA -0.900 55.373 56.100 0.288 0.000 0.872 178 R CB 2.655 33.113 30.300 0.262 0.000 1.177 178 R HN 0.512 nan 8.270 nan 0.000 0.444 179 T N 1.435 116.225 114.554 0.392 0.000 2.794 179 T HA 0.087 4.437 4.350 0.000 0.000 0.280 179 T C -0.185 174.549 174.700 0.056 0.000 0.987 179 T CA -0.428 61.838 62.100 0.277 0.000 0.993 179 T CB 1.254 70.189 68.868 0.111 0.000 0.939 179 T HN 0.624 nan 8.240 nan 0.000 0.449 180 c N 5.978 124.325 118.600 -0.422 0.000 2.663 180 c HA 0.154 4.724 4.570 0.000 0.000 0.379 180 c C 0.814 174.671 174.090 -0.389 0.000 1.255 180 c CA -0.274 55.491 56.329 -0.940 0.000 1.503 180 c CB -2.019 39.740 42.510 -1.251 0.000 2.187 180 c HN 0.773 nan 8.230 nan 0.000 0.580 181 Q N 2.626 122.279 119.800 -0.244 0.000 2.368 181 Q HA 0.189 4.529 4.340 0.000 0.000 0.237 181 Q C 0.166 176.125 176.000 -0.068 0.000 0.987 181 Q CA -0.102 55.631 55.803 -0.117 0.000 0.896 181 Q CB 0.877 29.584 28.738 -0.052 0.000 1.241 181 Q HN 0.780 nan 8.270 nan 0.000 0.485 182 E N -0.174 119.994 120.200 -0.052 0.000 2.417 182 E HA 0.110 4.460 4.350 0.000 0.000 0.261 182 E C 0.098 176.753 176.600 0.091 0.000 1.000 182 E CA 0.756 57.159 56.400 0.005 0.000 0.919 182 E CB -0.079 29.594 29.700 -0.045 0.000 0.955 182 E HN 0.808 nan 8.360 nan 0.000 0.455 183 G N 2.860 111.796 108.800 0.228 0.000 2.148 183 G HA2 -0.135 3.825 3.960 0.000 0.000 0.157 183 G HA3 -0.135 3.825 3.960 0.000 0.000 0.157 183 G C 0.551 175.451 174.900 -0.001 0.000 1.012 183 G CA -0.142 45.009 45.100 0.085 0.000 0.677 183 G HN 1.315 nan 8.290 nan 0.000 0.506 184 G N -0.713 108.092 108.800 0.009 0.000 2.392 184 G HA2 0.371 4.331 3.960 0.000 0.000 0.290 184 G HA3 0.371 4.331 3.960 0.000 0.000 0.290 184 G C 0.275 175.121 174.900 -0.089 0.000 1.032 184 G CA 1.256 46.261 45.100 -0.158 0.000 1.269 184 G HN 2.531 nan 8.290 nan 0.000 0.511 185 S N -0.982 114.654 115.700 -0.106 0.000 2.570 185 S HA 0.561 5.031 4.470 0.000 0.000 0.286 185 S C -0.754 173.788 174.600 -0.095 0.000 1.143 185 S CA -1.096 57.074 58.200 -0.050 0.000 0.921 185 S CB 0.772 63.966 63.200 -0.010 0.000 1.108 185 S HN 0.818 nan 8.310 nan 0.000 0.456 186 W N 3.109 124.426 121.300 0.030 0.000 2.315 186 W HA 0.563 5.223 4.660 0.000 0.000 0.316 186 W C 1.195 177.725 176.519 0.019 0.000 1.211 186 W CA -0.003 57.365 57.345 0.038 0.000 1.201 186 W CB 1.229 30.713 29.460 0.040 0.000 1.184 186 W HN 0.886 nan 8.180 nan 0.000 0.544 187 S N 2.689 118.535 115.700 0.244 0.000 2.589 187 S HA 0.698 5.168 4.470 0.000 0.000 0.265 187 S C 0.809 175.486 174.600 0.129 0.000 1.342 187 S CA 0.045 58.329 58.200 0.139 0.000 1.005 187 S CB 0.681 63.941 63.200 0.101 0.000 0.909 187 S HN 1.412 nan 8.310 nan 0.000 0.555 188 G N 0.216 109.054 108.800 0.062 0.000 2.645 188 G HA2 -0.079 3.881 3.960 0.000 0.000 0.246 188 G HA3 -0.079 3.881 3.960 0.000 0.000 0.246 188 G C -0.059 174.849 174.900 0.012 0.000 1.322 188 G CA 0.040 45.154 45.100 0.024 0.000 0.898 188 G HN 1.520 nan 8.290 nan 0.000 0.573 189 T N -0.935 113.601 114.554 -0.030 0.000 2.926 189 T HA 0.556 4.906 4.350 0.000 0.000 0.289 189 T C 0.034 174.656 174.700 -0.130 0.000 1.054 189 T CA 0.519 62.586 62.100 -0.056 0.000 1.015 189 T CB 1.584 70.424 68.868 -0.048 0.000 1.167 189 T HN 0.833 nan 8.240 nan 0.000 0.526 190 E N 2.420 122.527 120.200 -0.155 0.000 2.366 190 E HA 0.244 4.594 4.350 0.000 0.000 0.266 190 E C -2.129 174.292 176.600 -0.298 0.000 1.015 190 E CA -1.517 54.730 56.400 -0.254 0.000 0.906 190 E CB 0.537 30.115 29.700 -0.204 0.000 0.979 190 E HN 0.296 nan 8.360 nan 0.000 0.443 191 P HA 0.012 nan 4.420 nan 0.000 0.271 191 P C -1.409 175.731 177.300 -0.267 0.000 1.244 191 P CA -0.098 62.757 63.100 -0.408 0.000 0.793 191 P CB 0.661 31.947 31.700 -0.690 0.000 0.984 192 S N -1.399 114.194 115.700 -0.178 0.000 2.481 192 S HA 0.183 4.653 4.470 0.000 0.000 0.262 192 S C -0.871 173.685 174.600 -0.073 0.000 1.061 192 S CA -0.854 57.277 58.200 -0.115 0.000 1.039 192 S CB -0.907 62.226 63.200 -0.111 0.000 1.170 192 S HN 0.406 nan 8.310 nan 0.000 0.437 193 c N 5.019 123.599 118.600 -0.033 0.000 2.657 193 c HA 0.392 4.962 4.570 0.000 0.000 0.404 193 c C 0.649 174.718 174.090 -0.035 0.000 1.369 193 c CA -0.117 56.208 56.329 -0.007 0.000 1.665 193 c CB -0.972 41.569 42.510 0.051 0.000 2.453 193 c HN 0.750 nan 8.230 nan 0.000 0.599 194 Q N 2.332 122.096 119.800 -0.061 0.000 2.248 194 Q HA 0.405 4.745 4.340 0.000 0.000 0.263 194 Q C 0.051 175.970 176.000 -0.135 0.000 1.007 194 Q CA -0.404 55.332 55.803 -0.111 0.000 0.877 194 Q CB 2.016 30.692 28.738 -0.102 0.000 1.315 194 Q HN 0.709 nan 8.270 nan 0.000 0.454 195 D N 0.144 120.391 120.400 -0.255 0.000 2.871 195 D HA 0.213 4.853 4.640 0.000 0.000 0.223 195 D C -0.012 176.147 176.300 -0.235 0.000 1.225 195 D CA 0.150 53.973 54.000 -0.295 0.000 1.188 195 D CB 0.682 41.136 40.800 -0.577 0.000 1.105 195 D HN 0.459 nan 8.370 nan 0.000 0.444 196 S N -0.570 114.966 115.700 -0.272 0.000 2.901 196 S HA 0.326 4.796 4.470 0.000 0.000 0.248 196 S C -0.228 174.493 174.600 0.201 0.000 1.021 196 S CA -0.620 57.581 58.200 0.003 0.000 1.090 196 S CB -0.649 62.613 63.200 0.104 0.000 1.039 196 S HN 0.451 nan 8.310 nan 0.000 0.514 197 F N -2.718 117.295 119.950 0.104 0.000 3.301 197 F HA 0.438 4.965 4.527 0.000 0.000 0.381 197 F C 0.908 176.803 175.800 0.158 0.000 1.186 197 F CA -0.715 57.396 58.000 0.185 0.000 0.840 197 F CB -0.695 38.430 39.000 0.209 0.000 1.710 197 F HN 0.114 nan 8.300 nan 0.000 0.489 198 M N 1.144 120.557 119.600 -0.313 0.000 2.200 198 M HA 0.025 4.505 4.480 0.000 0.000 0.265 198 M C 1.002 176.944 176.300 -0.595 0.000 1.066 198 M CA 1.678 56.721 55.300 -0.429 0.000 1.127 198 M CB -0.612 31.739 32.600 -0.415 0.000 1.379 198 M HN 0.427 nan 8.290 nan 0.000 0.420 199 Y N -0.509 119.796 120.300 0.008 0.000 3.187 199 Y HA -0.333 4.217 4.550 0.000 0.000 0.359 199 Y C -0.873 175.059 175.900 0.054 0.000 1.065 199 Y CA -0.139 57.993 58.100 0.053 0.000 1.245 199 Y CB -1.447 37.065 38.460 0.086 0.000 0.965 199 Y HN 0.235 nan 8.280 nan 0.000 0.597 200 D N -0.069 120.599 120.400 0.447 0.000 2.890 200 D HA 0.312 4.952 4.640 0.000 0.000 0.233 200 D C -0.652 175.879 176.300 0.385 0.000 1.306 200 D CA 0.095 54.272 54.000 0.295 0.000 0.929 200 D CB 1.679 42.624 40.800 0.242 0.000 1.512 200 D HN 0.871 nan 8.370 nan 0.000 0.568 201 T N -0.284 114.461 114.554 0.317 0.000 2.937 201 T HA 0.111 4.461 4.350 0.000 0.000 0.316 201 T C -1.656 173.144 174.700 0.166 0.000 1.079 201 T CA -0.770 61.477 62.100 0.245 0.000 1.131 201 T CB 1.020 69.997 68.868 0.182 0.000 1.000 201 T HN -0.003 nan 8.240 nan 0.000 0.549 202 P HA -0.162 nan 4.420 nan 0.000 0.217 202 P C 1.645 178.984 177.300 0.064 0.000 1.148 202 P CA 1.218 64.368 63.100 0.085 0.000 0.834 202 P CB 0.059 31.799 31.700 0.066 0.000 0.783 203 Q N -0.112 119.729 119.800 0.069 0.000 2.049 203 Q HA -0.168 4.172 4.340 0.000 0.000 0.198 203 Q C 2.050 178.093 176.000 0.071 0.000 0.971 203 Q CA 1.296 57.132 55.803 0.055 0.000 0.833 203 Q CB -0.302 28.466 28.738 0.051 0.000 0.896 203 Q HN 0.240 nan 8.270 nan 0.000 0.434 204 E N -0.397 119.861 120.200 0.097 0.000 2.130 204 E HA -0.197 4.153 4.350 0.000 0.000 0.196 204 E C 2.021 178.729 176.600 0.180 0.000 0.998 204 E CA 1.543 58.015 56.400 0.119 0.000 0.806 204 E CB 0.083 29.853 29.700 0.116 0.000 0.738 204 E HN 0.224 nan 8.360 nan 0.000 0.459 205 V N 1.112 121.140 119.914 0.189 0.000 2.283 205 V HA -0.220 3.900 4.120 0.000 0.000 0.243 205 V C 2.318 178.430 176.094 0.029 0.000 1.039 205 V CA 1.798 64.227 62.300 0.216 0.000 1.016 205 V CB -0.717 31.191 31.823 0.142 0.000 0.650 205 V HN 0.313 nan 8.190 nan 0.000 0.449 206 A N -0.307 122.483 122.820 -0.049 0.000 1.972 206 A HA -0.247 4.073 4.320 0.000 0.000 0.219 206 A C 2.155 179.743 177.584 0.007 0.000 1.169 206 A CA 2.111 54.081 52.037 -0.112 0.000 0.635 206 A CB -0.459 18.469 19.000 -0.120 0.000 0.810 206 A HN 0.545 nan 8.150 nan 0.000 0.446 207 E N -0.162 120.068 120.200 0.049 0.000 2.107 207 E HA 0.069 4.419 4.350 0.000 0.000 0.191 207 E C 1.945 178.596 176.600 0.086 0.000 0.982 207 E CA 1.286 57.720 56.400 0.057 0.000 0.809 207 E CB -0.319 29.412 29.700 0.052 0.000 0.756 207 E HN 0.476 nan 8.360 nan 0.000 0.459 208 A N -0.801 122.117 122.820 0.164 0.000 2.072 208 A HA 0.025 4.345 4.320 0.000 0.000 0.216 208 A C 1.901 179.655 177.584 0.283 0.000 1.156 208 A CA 0.448 52.611 52.037 0.211 0.000 0.701 208 A CB -0.544 18.619 19.000 0.271 0.000 0.816 208 A HN 0.389 nan 8.150 nan 0.000 0.458 209 F N 0.424 120.414 119.950 0.067 0.000 2.149 209 F HA 0.039 4.566 4.527 0.000 0.000 0.294 209 F C 1.797 177.519 175.800 -0.130 0.000 1.095 209 F CA 1.363 59.299 58.000 -0.107 0.000 1.276 209 F CB -0.141 38.549 39.000 -0.517 0.000 1.023 209 F HN 0.114 nan 8.300 nan 0.000 0.480 210 L N 0.010 121.209 121.223 -0.040 0.000 2.056 210 L HA -0.183 4.157 4.340 0.000 0.000 0.207 210 L C 2.657 179.454 176.870 -0.122 0.000 1.078 210 L CA 1.418 56.195 54.840 -0.106 0.000 0.749 210 L CB -1.059 41.005 42.059 0.009 0.000 0.901 210 L HN 0.281 nan 8.230 nan 0.000 0.433 211 S N -2.074 113.590 115.700 -0.060 0.000 2.469 211 S HA -0.164 4.306 4.470 0.000 0.000 0.238 211 S C 1.943 176.498 174.600 -0.075 0.000 0.998 211 S CA 1.341 59.508 58.200 -0.055 0.000 0.957 211 S CB -0.148 63.039 63.200 -0.022 0.000 0.764 211 S HN 0.361 nan 8.310 nan 0.000 0.514 212 S N -0.475 115.163 115.700 -0.103 0.000 2.506 212 S HA 0.317 4.787 4.470 0.000 0.000 0.219 212 S C 1.266 175.822 174.600 -0.074 0.000 1.031 212 S CA -0.012 58.139 58.200 -0.082 0.000 0.911 212 S CB -0.147 62.997 63.200 -0.093 0.000 0.812 212 S HN 0.416 nan 8.310 nan 0.000 0.497 213 L N 1.966 123.040 121.223 -0.247 0.000 2.189 213 L HA 0.199 4.539 4.340 0.000 0.000 0.199 213 L C 2.591 179.340 176.870 -0.203 0.000 1.074 213 L CA 2.475 57.145 54.840 -0.283 0.000 0.783 213 L CB -1.277 40.376 42.059 -0.677 0.000 0.955 213 L HN 0.452 nan 8.230 nan 0.000 0.460 214 T N -2.976 111.441 114.554 -0.227 0.000 2.737 214 T HA -0.252 4.098 4.350 0.000 0.000 0.269 214 T C 1.835 176.416 174.700 -0.199 0.000 1.040 214 T CA 1.538 63.481 62.100 -0.261 0.000 1.142 214 T CB -0.653 68.070 68.868 -0.241 0.000 0.861 214 T HN 0.419 nan 8.240 nan 0.000 0.456 215 E N 1.285 121.400 120.200 -0.142 0.000 2.153 215 E HA -0.103 4.247 4.350 0.000 0.000 0.194 215 E C 1.897 178.435 176.600 -0.103 0.000 0.988 215 E CA 1.417 57.750 56.400 -0.112 0.000 0.811 215 E CB -0.576 29.071 29.700 -0.089 0.000 0.746 215 E HN 0.641 nan 8.360 nan 0.000 0.466 216 T N 0.531 115.031 114.554 -0.090 0.000 3.160 216 T HA 0.117 4.467 4.350 0.000 0.000 0.257 216 T C 1.757 176.399 174.700 -0.097 0.000 1.147 216 T CA 0.278 62.333 62.100 -0.074 0.000 1.064 216 T CB 0.127 68.990 68.868 -0.009 0.000 0.949 216 T HN 0.170 nan 8.240 nan 0.000 0.526 217 I N 0.142 120.635 120.570 -0.129 0.000 3.172 217 I HA 0.100 4.270 4.170 0.000 0.000 0.278 217 I C 2.299 178.334 176.117 -0.135 0.000 1.174 217 I CA 0.397 61.610 61.300 -0.144 0.000 1.445 217 I CB 0.004 37.873 38.000 -0.219 0.000 1.175 217 I HN 0.155 nan 8.210 nan 0.000 0.447 218 E N 1.537 121.652 120.200 -0.141 0.000 2.085 218 E HA -0.179 4.171 4.350 0.000 0.000 0.194 218 E C 2.244 178.797 176.600 -0.079 0.000 0.994 218 E CA 1.457 57.791 56.400 -0.110 0.000 0.801 218 E CB -0.309 29.328 29.700 -0.105 0.000 0.743 218 E HN 0.558 nan 8.360 nan 0.000 0.453 219 G N 0.816 109.565 108.800 -0.084 0.000 2.443 219 G HA2 -0.183 3.777 3.960 0.000 0.000 0.219 219 G HA3 -0.183 3.777 3.960 0.000 0.000 0.219 219 G C 1.692 176.547 174.900 -0.076 0.000 1.131 219 G CA 0.343 45.398 45.100 -0.075 0.000 0.775 219 G HN 0.111 nan 8.290 nan 0.000 0.547 220 V N 1.378 121.240 119.914 -0.085 0.000 2.568 220 V HA -0.098 4.022 4.120 0.000 0.000 0.253 220 V C 0.788 176.859 176.094 -0.040 0.000 1.072 220 V CA 1.289 63.547 62.300 -0.070 0.000 1.084 220 V CB -0.401 31.378 31.823 -0.073 0.000 0.676 220 V HN 0.244 nan 8.190 nan 0.000 0.469 221 D N 1.643 122.022 120.400 -0.035 0.000 2.597 221 D HA 0.451 5.091 4.640 0.000 0.000 0.228 221 D C 0.277 176.576 176.300 -0.001 0.000 1.120 221 D CA 0.721 54.712 54.000 -0.014 0.000 1.083 221 D CB 0.022 40.814 40.800 -0.013 0.000 1.116 221 D HN 0.415 nan 8.370 nan 0.000 0.487 222 A N 2.529 125.352 122.820 0.004 0.000 2.913 222 A HA 0.309 4.629 4.320 0.000 0.000 0.284 222 A C 0.191 177.786 177.584 0.018 0.000 1.273 222 A CA -0.711 51.336 52.037 0.017 0.000 0.899 222 A CB -0.120 18.892 19.000 0.021 0.000 1.444 222 A HN 0.247 nan 8.150 nan 0.000 0.586 241 S N -0.039 115.676 115.700 0.024 0.000 2.569 241 S HA 0.786 5.256 4.470 0.000 0.000 0.280 241 S C 0.155 174.764 174.600 0.016 0.000 1.111 241 S CA 0.105 58.317 58.200 0.020 0.000 0.887 241 S CB 2.041 65.251 63.200 0.018 0.000 1.095 241 S HN 1.268 nan 8.310 nan 0.000 0.476 242 G N 1.107 109.910 108.800 0.005 0.000 2.181 242 G HA2 -0.186 3.774 3.960 0.000 0.000 0.152 242 G HA3 -0.186 3.774 3.960 0.000 0.000 0.152 242 G C 0.117 175.009 174.900 -0.013 0.000 1.026 242 G CA 0.037 45.136 45.100 -0.002 0.000 0.699 242 G HN 1.131 nan 8.290 nan 0.000 0.497 243 S N -0.886 114.801 115.700 -0.022 0.000 2.506 243 S HA 0.701 5.171 4.470 0.000 0.000 0.245 243 S C 0.242 174.806 174.600 -0.060 0.000 1.088 243 S CA 0.192 58.378 58.200 -0.024 0.000 1.099 243 S CB 0.311 63.507 63.200 -0.007 0.000 0.805 243 S HN 1.042 nan 8.310 nan 0.000 0.461 244 M N 1.850 121.394 119.600 -0.094 0.000 2.365 244 M HA 0.490 4.970 4.480 0.000 0.000 0.287 244 M C -2.359 173.821 176.300 -0.201 0.000 1.154 244 M CA -0.373 54.842 55.300 -0.143 0.000 0.941 244 M CB 1.716 34.248 32.600 -0.114 0.000 1.704 244 M HN 0.035 nan 8.290 nan 0.000 0.479 245 N N 4.927 123.478 118.700 -0.248 0.000 2.400 245 N HA 0.616 5.356 4.740 0.000 0.000 0.288 245 N C -1.403 173.860 175.510 -0.411 0.000 1.024 245 N CA -0.207 52.626 53.050 -0.363 0.000 0.894 245 N CB 1.820 40.110 38.487 -0.329 0.000 1.173 245 N HN 0.629 nan 8.380 nan 0.000 0.487 246 I N 2.748 122.993 120.570 -0.541 0.000 2.390 246 I HA 0.245 4.415 4.170 0.000 0.000 0.283 246 I C -0.909 175.065 176.117 -0.237 0.000 1.016 246 I CA -0.736 60.380 61.300 -0.307 0.000 1.151 246 I CB 0.552 38.348 38.000 -0.340 0.000 1.293 246 I HN 0.337 nan 8.210 nan 0.000 0.458 247 Y N 6.472 126.882 120.300 0.183 0.000 2.404 247 Y HA 0.423 4.973 4.550 0.000 0.000 0.344 247 Y C 0.060 176.095 175.900 0.225 0.000 0.970 247 Y CA -0.673 57.549 58.100 0.203 0.000 1.180 247 Y CB 0.712 39.281 38.460 0.182 0.000 1.138 247 Y HN 0.371 nan 8.280 nan 0.000 0.510 248 L N 5.263 126.684 121.223 0.330 0.000 2.288 248 L HA 0.367 4.707 4.340 0.000 0.000 0.283 248 L C -0.652 176.371 176.870 0.255 0.000 1.072 248 L CA -0.702 54.297 54.840 0.264 0.000 0.862 248 L CB 0.314 42.485 42.059 0.186 0.000 1.245 248 L HN 0.377 nan 8.230 nan 0.000 0.432 249 V N 4.782 124.859 119.914 0.272 0.000 2.318 249 V HA 0.240 4.360 4.120 0.000 0.000 0.271 249 V C 0.056 176.331 176.094 0.302 0.000 1.030 249 V CA -0.395 62.080 62.300 0.291 0.000 0.844 249 V CB 1.570 33.547 31.823 0.255 0.000 1.015 249 V HN 0.403 nan 8.190 nan 0.000 0.460 250 L N 4.519 125.905 121.223 0.271 0.000 2.307 250 L HA 0.621 4.961 4.340 0.000 0.000 0.282 250 L C -0.210 176.768 176.870 0.180 0.000 1.051 250 L CA 0.092 55.042 54.840 0.184 0.000 0.804 250 L CB 1.561 43.646 42.059 0.044 0.000 1.197 250 L HN 0.591 nan 8.230 nan 0.000 0.431 251 D N 2.667 123.118 120.400 0.086 0.000 2.249 251 D HA 0.484 5.124 4.640 0.000 0.000 0.246 251 D C 0.412 176.728 176.300 0.026 0.000 1.114 251 D CA -0.056 53.782 54.000 -0.270 0.000 0.854 251 D CB 1.708 42.417 40.800 -0.152 0.000 1.132 251 D HN 0.691 nan 8.370 nan 0.000 0.461 252 G N 1.987 110.651 108.800 -0.225 0.000 4.144 252 G HA2 0.169 4.129 3.960 0.000 0.000 0.297 252 G HA3 0.169 4.129 3.960 0.000 0.000 0.297 252 G C 0.329 175.015 174.900 -0.357 0.000 1.090 252 G CA -0.179 44.782 45.100 -0.231 0.000 0.870 252 G HN 0.483 nan 8.290 nan 0.000 0.532 253 S N -0.927 114.635 115.700 -0.230 0.000 2.589 253 S HA 0.406 4.876 4.470 0.000 0.000 0.265 253 S C 1.578 176.157 174.600 -0.034 0.000 1.342 253 S CA 0.314 58.421 58.200 -0.155 0.000 1.005 253 S CB 1.645 64.788 63.200 -0.096 0.000 0.909 253 S HN 0.334 nan 8.310 nan 0.000 0.555 254 G N -0.047 108.742 108.800 -0.019 0.000 2.776 254 G HA2 0.054 4.014 3.960 0.000 0.000 0.209 254 G HA3 0.054 4.014 3.960 0.000 0.000 0.209 254 G C 0.974 175.943 174.900 0.115 0.000 1.145 254 G CA 0.289 45.440 45.100 0.084 0.000 0.791 254 G HN 0.967 nan 8.290 nan 0.000 0.530 255 S N -0.825 114.927 115.700 0.087 0.000 2.577 255 S HA 0.331 4.801 4.470 0.000 0.000 0.219 255 S C 1.563 176.217 174.600 0.090 0.000 0.962 255 S CA -0.328 57.916 58.200 0.074 0.000 0.921 255 S CB 0.039 63.270 63.200 0.052 0.000 0.789 255 S HN 0.306 nan 8.310 nan 0.000 0.497 256 I N 0.862 121.512 120.570 0.134 0.000 3.443 256 I HA 0.382 4.552 4.170 0.000 0.000 0.277 256 I C 1.197 177.338 176.117 0.040 0.000 1.169 256 I CA 0.553 61.928 61.300 0.125 0.000 1.419 256 I CB -0.027 38.099 38.000 0.211 0.000 1.331 256 I HN 0.515 nan 8.210 nan 0.000 0.458 257 G N 1.024 109.803 108.800 -0.035 0.000 2.785 257 G HA2 -0.068 3.892 3.960 0.000 0.000 0.686 257 G HA3 -0.068 3.892 3.960 0.000 0.000 0.686 257 G C 0.477 174.881 174.900 -0.825 0.000 1.155 257 G CA -0.299 44.572 45.100 -0.382 0.000 0.760 257 G HN 0.385 nan 8.290 nan 0.000 0.624 258 A N 1.251 123.328 122.820 -1.238 0.000 2.076 258 A HA 0.148 4.468 4.320 0.000 0.000 0.220 258 A C 2.772 180.201 177.584 -0.258 0.000 1.160 258 A CA 2.895 54.419 52.037 -0.854 0.000 0.653 258 A CB -0.514 18.189 19.000 -0.494 0.000 0.801 258 A HN 2.101 nan 8.150 nan 0.000 0.455 259 S N 0.018 115.592 115.700 -0.210 0.000 2.344 259 S HA -0.171 4.299 4.470 0.000 0.000 0.217 259 S C 1.441 176.008 174.600 -0.055 0.000 1.033 259 S CA 1.682 59.824 58.200 -0.096 0.000 1.017 259 S CB -0.427 62.726 63.200 -0.078 0.000 0.941 259 S HN 0.572 nan 8.310 nan 0.000 0.430 260 D N -0.230 120.145 120.400 -0.043 0.000 2.363 260 D HA 0.099 4.739 4.640 0.000 0.000 0.226 260 D C 1.128 177.445 176.300 0.027 0.000 1.020 260 D CA 0.232 54.228 54.000 -0.006 0.000 0.892 260 D CB -0.132 40.677 40.800 0.016 0.000 0.900 260 D HN 0.479 nan 8.370 nan 0.000 0.531 261 F N 1.169 121.051 119.950 -0.113 0.000 2.222 261 F HA -0.102 4.425 4.527 0.000 0.000 0.285 261 F C 2.454 178.219 175.800 -0.057 0.000 1.068 261 F CA 1.469 59.441 58.000 -0.047 0.000 1.265 261 F CB -0.541 38.481 39.000 0.037 0.000 1.087 261 F HN -0.074 nan 8.300 nan 0.000 0.511 262 T N -1.892 112.718 114.554 0.093 0.000 2.849 262 T HA -0.088 4.262 4.350 0.000 0.000 0.270 262 T C 2.173 176.784 174.700 -0.149 0.000 1.066 262 T CA 1.160 63.245 62.100 -0.026 0.000 1.130 262 T CB -1.439 67.456 68.868 0.045 0.000 0.864 262 T HN 0.341 nan 8.240 nan 0.000 0.481 263 G N 0.908 109.629 108.800 -0.132 0.000 2.421 263 G HA2 0.195 4.155 3.960 0.000 0.000 0.217 263 G HA3 0.195 4.155 3.960 0.000 0.000 0.217 263 G C 1.833 176.590 174.900 -0.238 0.000 1.143 263 G CA 0.525 45.538 45.100 -0.146 0.000 0.784 263 G HN 0.720 nan 8.290 nan 0.000 0.541 264 A N 0.779 123.421 122.820 -0.297 0.000 1.968 264 A HA 0.099 4.419 4.320 0.000 0.000 0.217 264 A C 2.273 179.586 177.584 -0.452 0.000 1.169 264 A CA 1.648 53.460 52.037 -0.376 0.000 0.638 264 A CB -0.209 18.581 19.000 -0.351 0.000 0.812 264 A HN 0.367 nan 8.150 nan 0.000 0.446 265 K N 0.182 120.300 120.400 -0.470 0.000 1.984 265 K HA -0.123 4.197 4.320 0.000 0.000 0.209 265 K C 1.959 178.346 176.600 -0.355 0.000 1.046 265 K CA 1.636 57.672 56.287 -0.420 0.000 0.934 265 K CB -0.239 32.032 32.500 -0.382 0.000 0.717 265 K HN 0.386 nan 8.250 nan 0.000 0.438 266 K N 0.642 120.863 120.400 -0.299 0.000 2.152 266 K HA -0.182 4.138 4.320 0.000 0.000 0.206 266 K C 2.370 178.737 176.600 -0.390 0.000 1.048 266 K CA 1.314 57.439 56.287 -0.270 0.000 0.933 266 K CB -0.429 31.967 32.500 -0.174 0.000 0.721 266 K HN 0.240 nan 8.250 nan 0.000 0.447 267 C N 1.108 120.117 119.300 -0.485 0.000 2.425 267 C HA -0.054 4.406 4.460 0.000 0.000 0.277 267 C C 2.355 176.773 174.990 -0.953 0.000 1.280 267 C CA 0.603 59.163 59.018 -0.764 0.000 1.744 267 C CB -0.849 26.419 27.740 -0.788 0.000 1.989 267 C HN 0.394 nan 8.230 nan 0.000 0.491 268 L N -0.016 120.808 121.223 -0.665 0.000 2.131 268 L HA -0.031 4.309 4.340 0.000 0.000 0.206 268 L C 2.611 179.263 176.870 -0.362 0.000 1.087 268 L CA 0.780 55.311 54.840 -0.515 0.000 0.767 268 L CB -0.568 41.275 42.059 -0.360 0.000 0.917 268 L HN 0.178 nan 8.230 nan 0.000 0.441 269 V N 0.531 120.243 119.914 -0.337 0.000 2.282 269 V HA -0.311 3.809 4.120 0.000 0.000 0.249 269 V C 2.146 178.108 176.094 -0.220 0.000 1.057 269 V CA 2.012 64.157 62.300 -0.258 0.000 1.032 269 V CB -0.700 30.986 31.823 -0.228 0.000 0.645 269 V HN 0.524 nan 8.190 nan 0.000 0.447 270 N N -0.111 118.430 118.700 -0.265 0.000 2.309 270 N HA -0.095 4.645 4.740 0.000 0.000 0.182 270 N C 1.585 177.053 175.510 -0.071 0.000 1.018 270 N CA 0.959 53.892 53.050 -0.196 0.000 0.876 270 N CB -0.462 37.832 38.487 -0.321 0.000 0.972 270 N HN 0.415 nan 8.380 nan 0.000 0.434 271 L N 1.252 122.441 121.223 -0.057 0.000 2.017 271 L HA 0.025 4.365 4.340 0.000 0.000 0.208 271 L C 1.851 178.786 176.870 0.109 0.000 1.073 271 L CA 1.289 56.215 54.840 0.143 0.000 0.745 271 L CB -0.545 41.594 42.059 0.133 0.000 0.894 271 L HN 0.059 nan 8.230 nan 0.000 0.432 272 I N -0.487 120.086 120.570 0.004 0.000 2.179 272 I HA -0.294 3.876 4.170 0.000 0.000 0.242 272 I C 2.525 178.650 176.117 0.013 0.000 1.088 272 I CA 1.778 63.067 61.300 -0.018 0.000 1.357 272 I CB -0.512 37.314 38.000 -0.290 0.000 1.051 272 I HN 0.431 nan 8.210 nan 0.000 0.409 273 E N 1.395 121.573 120.200 -0.036 0.000 2.153 273 E HA -0.290 4.061 4.350 0.000 0.000 0.194 273 E C 2.099 178.686 176.600 -0.022 0.000 0.988 273 E CA 1.187 57.569 56.400 -0.030 0.000 0.811 273 E CB 0.119 29.788 29.700 -0.052 0.000 0.746 273 E HN 0.168 nan 8.360 nan 0.000 0.466 274 K N 0.335 120.733 120.400 -0.004 0.000 2.057 274 K HA -0.098 4.222 4.320 0.000 0.000 0.207 274 K C 1.838 178.423 176.600 -0.025 0.000 1.049 274 K CA 1.524 57.791 56.287 -0.034 0.000 0.931 274 K CB -0.476 32.046 32.500 0.035 0.000 0.714 274 K HN 0.061 nan 8.250 nan 0.000 0.440 275 V N 0.983 120.985 119.914 0.148 0.000 2.626 275 V HA -0.118 4.002 4.120 0.000 0.000 0.252 275 V C 2.313 178.531 176.094 0.207 0.000 1.067 275 V CA 1.659 64.131 62.300 0.286 0.000 1.081 275 V CB -0.792 31.215 31.823 0.308 0.000 0.686 275 V HN 0.464 nan 8.190 nan 0.000 0.468 276 A N 0.825 123.712 122.820 0.111 0.000 2.014 276 A HA -0.144 4.176 4.320 0.000 0.000 0.218 276 A C 2.478 180.072 177.584 0.017 0.000 1.163 276 A CA 1.700 53.784 52.037 0.079 0.000 0.652 276 A CB -0.552 18.479 19.000 0.051 0.000 0.808 276 A HN 0.671 nan 8.150 nan 0.000 0.449 277 S N -1.552 114.094 115.700 -0.090 0.000 2.474 277 S HA -0.104 4.366 4.470 0.000 0.000 0.235 277 S C 1.287 175.783 174.600 -0.173 0.000 0.997 277 S CA 0.807 58.905 58.200 -0.171 0.000 0.949 277 S CB -0.696 62.333 63.200 -0.284 0.000 0.766 277 S HN 0.529 nan 8.310 nan 0.000 0.517 278 Y N 2.173 122.491 120.300 0.030 0.000 2.471 278 Y HA 0.388 4.938 4.550 0.000 0.000 0.286 278 Y C 1.906 177.821 175.900 0.025 0.000 1.188 278 Y CA -0.832 57.282 58.100 0.023 0.000 1.286 278 Y CB -0.749 37.722 38.460 0.019 0.000 1.072 278 Y HN 0.398 nan 8.280 nan 0.000 0.517 279 G N 0.410 109.291 108.800 0.135 0.000 2.203 279 G HA2 -0.264 3.696 3.960 0.000 0.000 0.263 279 G HA3 -0.264 3.696 3.960 0.000 0.000 0.263 279 G C -0.238 174.722 174.900 0.101 0.000 1.012 279 G CA 0.454 45.613 45.100 0.097 0.000 0.749 279 G HN 0.174 nan 8.290 nan 0.000 0.512 280 V N -0.280 119.711 119.914 0.127 0.000 2.513 280 V HA 0.546 4.666 4.120 0.000 0.000 0.299 280 V C 0.291 176.448 176.094 0.104 0.000 1.035 280 V CA -0.712 61.648 62.300 0.099 0.000 0.889 280 V CB 1.934 33.811 31.823 0.090 0.000 0.988 280 V HN 0.266 nan 8.190 nan 0.000 0.440 281 K N 5.323 125.770 120.400 0.079 0.000 2.499 281 K HA 0.411 4.731 4.320 0.000 0.000 0.215 281 K C -2.678 173.953 176.600 0.052 0.000 1.041 281 K CA -1.431 54.915 56.287 0.099 0.000 1.031 281 K CB 1.334 33.890 32.500 0.093 0.000 1.479 281 K HN 0.433 nan 8.250 nan 0.000 0.518 282 P HA 0.179 nan 4.420 nan 0.000 0.286 282 P C -0.719 176.488 177.300 -0.155 0.000 1.293 282 P CA -0.636 62.376 63.100 -0.148 0.000 0.770 282 P CB 0.649 32.157 31.700 -0.321 0.000 1.206 283 R N -0.005 120.366 120.500 -0.215 0.000 2.229 283 R HA 0.400 4.740 4.340 0.000 0.000 0.332 283 R C -0.527 175.631 176.300 -0.236 0.000 0.989 283 R CA -0.330 55.701 56.100 -0.115 0.000 0.842 283 R CB 0.240 30.507 30.300 -0.056 0.000 1.119 283 R HN 0.477 nan 8.270 nan 0.000 0.456 284 Y N 0.059 120.360 120.300 0.000 0.000 2.392 284 Y HA 0.513 5.063 4.550 0.000 0.000 0.323 284 Y C 1.302 177.215 175.900 0.021 0.000 1.291 284 Y CA -0.366 57.729 58.100 -0.009 0.000 1.345 284 Y CB 1.696 40.182 38.460 0.044 0.000 1.320 284 Y HN 0.652 nan 8.280 nan 0.000 0.518 285 G N 1.970 110.904 108.800 0.222 0.000 2.770 285 G HA2 0.383 4.343 3.960 0.000 0.000 0.298 285 G HA3 0.383 4.343 3.960 0.000 0.000 0.298 285 G C -2.148 172.923 174.900 0.285 0.000 1.534 285 G CA -0.503 44.749 45.100 0.253 0.000 1.046 285 G HN 0.428 nan 8.290 nan 0.000 0.548 286 L N 2.624 123.998 121.223 0.252 0.000 2.360 286 L HA 0.716 5.056 4.340 0.000 0.000 0.276 286 L C -0.552 176.525 176.870 0.345 0.000 1.121 286 L CA -0.243 54.737 54.840 0.233 0.000 0.845 286 L CB 1.373 43.499 42.059 0.112 0.000 1.143 286 L HN 0.187 nan 8.230 nan 0.000 0.452 287 V N 4.048 124.170 119.914 0.347 0.000 2.532 287 V HA 0.363 4.483 4.120 0.000 0.000 0.294 287 V C -0.232 176.112 176.094 0.417 0.000 1.036 287 V CA -0.435 62.103 62.300 0.396 0.000 0.876 287 V CB 1.907 33.910 31.823 0.301 0.000 1.012 287 V HN 0.862 nan 8.190 nan 0.000 0.432 288 T N 2.418 117.289 114.554 0.527 0.000 2.767 288 T HA 0.773 5.123 4.350 0.000 0.000 0.284 288 T C -0.713 174.183 174.700 0.327 0.000 0.973 288 T CA -0.488 61.878 62.100 0.442 0.000 0.996 288 T CB 1.202 70.402 68.868 0.554 0.000 0.927 288 T HN 0.725 nan 8.240 nan 0.000 0.456 289 Y N 1.547 121.853 120.300 0.011 0.000 2.598 289 Y HA 0.926 5.476 4.550 0.000 0.000 0.340 289 Y C 0.064 175.760 175.900 -0.341 0.000 1.038 289 Y CA -1.136 56.892 58.100 -0.119 0.000 1.100 289 Y CB 1.280 39.738 38.460 -0.003 0.000 1.281 289 Y HN 0.864 nan 8.280 nan 0.000 0.488 290 A N 0.977 123.630 122.820 -0.279 0.000 1.754 290 A HA 0.260 4.580 4.320 0.000 0.000 0.168 290 A C 1.131 178.664 177.584 -0.086 0.000 1.570 290 A CA 0.452 52.305 52.037 -0.306 0.000 2.038 290 A CB -0.354 18.430 19.000 -0.360 0.000 2.116 290 A HN 0.707 nan 8.150 nan 0.000 1.083 291 T N -0.194 114.283 114.554 -0.129 0.000 3.035 291 T HA 0.296 4.646 4.350 0.000 0.000 0.259 291 T C -0.457 173.822 174.700 -0.701 0.000 1.078 291 T CA 1.197 63.052 62.100 -0.410 0.000 1.132 291 T CB -0.321 68.237 68.868 -0.515 0.000 0.900 291 T HN 0.387 nan 8.240 nan 0.000 0.480 292 Y N -0.115 120.250 120.300 0.108 0.000 2.534 292 Y HA 0.472 5.022 4.550 0.000 0.000 0.345 292 Y C -2.862 173.124 175.900 0.143 0.000 1.031 292 Y CA -3.303 54.859 58.100 0.105 0.000 1.022 292 Y CB 0.922 39.429 38.460 0.079 0.000 1.292 292 Y HN -0.193 nan 8.280 nan 0.000 0.459 293 P HA 0.161 nan 4.420 nan 0.000 0.269 293 P C -0.909 176.517 177.300 0.210 0.000 1.209 293 P CA -0.389 62.850 63.100 0.231 0.000 0.776 293 P CB 0.709 32.498 31.700 0.148 0.000 0.876 294 K N 3.201 123.730 120.400 0.214 0.000 2.621 294 K HA 0.375 4.695 4.320 0.000 0.000 0.233 294 K C -1.069 175.512 176.600 -0.032 0.000 0.972 294 K CA -0.219 56.106 56.287 0.063 0.000 0.988 294 K CB -0.292 32.290 32.500 0.137 0.000 1.187 294 K HN 0.303 nan 8.250 nan 0.000 0.471 295 I N 5.010 125.543 120.570 -0.063 0.000 2.452 295 I HA 0.108 4.278 4.170 0.000 0.000 0.287 295 I C 0.193 176.253 176.117 -0.097 0.000 1.079 295 I CA -0.205 61.110 61.300 0.025 0.000 1.387 295 I CB 0.612 38.657 38.000 0.075 0.000 1.404 295 I HN 0.709 nan 8.210 nan 0.000 0.522 296 W N 4.777 126.143 121.300 0.109 0.000 2.630 296 W HA 0.215 4.875 4.660 0.000 0.000 0.275 296 W C 0.182 176.749 176.519 0.080 0.000 1.192 296 W CA 0.184 57.566 57.345 0.062 0.000 1.410 296 W CB 0.146 29.602 29.460 -0.006 0.000 1.075 296 W HN 0.133 nan 8.180 nan 0.000 0.581 297 V N 1.295 121.408 119.914 0.332 0.000 2.577 297 V HA 0.321 4.442 4.120 0.000 0.000 0.303 297 V C -0.417 175.862 176.094 0.309 0.000 1.042 297 V CA -1.478 61.020 62.300 0.330 0.000 0.872 297 V CB 1.762 33.729 31.823 0.240 0.000 0.998 297 V HN -0.195 nan 8.190 nan 0.000 0.423 298 K N 2.374 122.957 120.400 0.305 0.000 2.164 298 K HA 0.509 4.829 4.320 0.000 0.000 0.258 298 K C 0.934 177.671 176.600 0.228 0.000 0.951 298 K CA -0.562 55.872 56.287 0.245 0.000 0.844 298 K CB 2.119 34.736 32.500 0.195 0.000 1.099 298 K HN 0.538 nan 8.250 nan 0.000 0.435 299 V N 0.153 120.192 119.914 0.210 0.000 2.867 299 V HA -0.164 3.956 4.120 0.000 0.000 0.260 299 V C 1.482 177.662 176.094 0.143 0.000 1.099 299 V CA 1.904 64.300 62.300 0.160 0.000 1.122 299 V CB -0.659 31.254 31.823 0.150 0.000 0.708 299 V HN 0.752 nan 8.190 nan 0.000 0.490 300 S N -0.657 115.130 115.700 0.145 0.000 2.527 300 S HA 0.095 4.565 4.470 0.000 0.000 0.222 300 S C 0.700 175.355 174.600 0.093 0.000 0.985 300 S CA -0.149 58.120 58.200 0.115 0.000 0.921 300 S CB -0.569 62.696 63.200 0.109 0.000 0.772 300 S HN 0.792 nan 8.310 nan 0.000 0.529 301 E N 0.778 121.043 120.200 0.108 0.000 2.390 301 E HA 0.437 4.787 4.350 0.000 0.000 0.261 301 E C 0.675 177.297 176.600 0.036 0.000 1.076 301 E CA 0.101 56.542 56.400 0.068 0.000 0.905 301 E CB 0.622 30.381 29.700 0.098 0.000 0.984 301 E HN 0.375 nan 8.360 nan 0.000 0.427 302 A N 2.328 125.135 122.820 -0.022 0.000 2.238 302 A HA -0.055 4.265 4.320 0.000 0.000 0.208 302 A C 0.508 178.054 177.584 -0.062 0.000 1.177 302 A CA 0.561 52.579 52.037 -0.031 0.000 0.804 302 A CB 0.097 19.069 19.000 -0.046 0.000 0.823 302 A HN 0.434 nan 8.150 nan 0.000 0.482 303 D N -0.929 119.402 120.400 -0.114 0.000 2.433 303 D HA 0.021 4.661 4.640 0.000 0.000 0.211 303 D C 1.836 178.222 176.300 0.144 0.000 1.114 303 D CA 0.914 54.816 54.000 -0.163 0.000 0.837 303 D CB 0.189 40.540 40.800 -0.748 0.000 0.984 303 D HN 0.499 nan 8.370 nan 0.000 0.505 304 S N 0.149 115.966 115.700 0.194 0.000 2.423 304 S HA -0.144 4.326 4.470 0.000 0.000 0.231 304 S C 1.982 176.760 174.600 0.297 0.000 1.014 304 S CA 1.170 59.553 58.200 0.305 0.000 0.965 304 S CB -0.260 63.076 63.200 0.227 0.000 0.785 304 S HN 0.174 nan 8.310 nan 0.000 0.495 305 S N 1.441 117.260 115.700 0.200 0.000 2.470 305 S HA 0.092 4.562 4.470 0.000 0.000 0.225 305 S C 0.754 175.477 174.600 0.205 0.000 1.006 305 S CA 0.070 58.381 58.200 0.186 0.000 0.934 305 S CB -0.824 62.439 63.200 0.106 0.000 0.778 305 S HN 0.470 nan 8.310 nan 0.000 0.517 306 N N 2.144 120.958 118.700 0.190 0.000 2.406 306 N HA 0.410 5.150 4.740 0.000 0.000 0.265 306 N C 0.955 176.570 175.510 0.175 0.000 1.203 306 N CA 0.416 53.567 53.050 0.169 0.000 0.945 306 N CB 0.914 39.491 38.487 0.149 0.000 1.165 306 N HN 0.294 nan 8.380 nan 0.000 0.485 307 A N 3.353 126.239 122.820 0.112 0.000 1.940 307 A HA -0.206 4.114 4.320 0.000 0.000 0.219 307 A C 1.810 179.371 177.584 -0.038 0.000 1.176 307 A CA 1.750 53.779 52.037 -0.013 0.000 0.631 307 A CB -0.537 18.468 19.000 0.010 0.000 0.814 307 A HN 0.749 nan 8.150 nan 0.000 0.446 308 D N -1.585 118.839 120.400 0.039 0.000 2.084 308 D HA -0.222 4.418 4.640 0.000 0.000 0.194 308 D C 1.663 178.006 176.300 0.071 0.000 0.990 308 D CA 1.677 55.701 54.000 0.040 0.000 0.826 308 D CB -0.432 40.410 40.800 0.069 0.000 0.971 308 D HN 0.566 nan 8.370 nan 0.000 0.453 309 W N 0.671 121.950 121.300 -0.035 0.000 2.338 309 W HA -0.175 4.485 4.660 0.000 0.000 0.304 309 W C 2.191 178.687 176.519 -0.038 0.000 1.212 309 W CA 1.815 59.148 57.345 -0.019 0.000 1.264 309 W CB -0.536 28.931 29.460 0.012 0.000 1.142 309 W HN -0.088 nan 8.180 nan 0.000 0.512 310 V N 0.334 120.213 119.914 -0.058 0.000 2.469 310 V HA -0.349 3.771 4.120 0.000 0.000 0.251 310 V C 2.181 178.069 176.094 -0.343 0.000 1.064 310 V CA 2.416 64.548 62.300 -0.280 0.000 1.066 310 V CB -1.497 30.183 31.823 -0.239 0.000 0.667 310 V HN 0.218 nan 8.190 nan 0.000 0.461 311 T N -0.467 113.927 114.554 -0.266 0.000 2.777 311 T HA -0.148 4.202 4.350 0.000 0.000 0.266 311 T C 1.923 176.475 174.700 -0.247 0.000 1.040 311 T CA 1.258 63.211 62.100 -0.244 0.000 1.141 311 T CB -0.163 68.599 68.868 -0.177 0.000 0.868 311 T HN 0.491 nan 8.240 nan 0.000 0.444 312 K N 0.777 121.034 120.400 -0.239 0.000 2.103 312 K HA -0.001 4.319 4.320 0.000 0.000 0.204 312 K C 2.514 178.923 176.600 -0.320 0.000 1.052 312 K CA 0.731 56.885 56.287 -0.223 0.000 0.945 312 K CB -0.035 32.383 32.500 -0.137 0.000 0.722 312 K HN 0.236 nan 8.250 nan 0.000 0.443 313 Q N 0.579 120.082 119.800 -0.495 0.000 2.291 313 Q HA -0.104 4.236 4.340 0.000 0.000 0.205 313 Q C 1.942 177.640 176.000 -0.502 0.000 0.970 313 Q CA 0.804 56.291 55.803 -0.527 0.000 0.876 313 Q CB -0.095 28.208 28.738 -0.725 0.000 0.935 313 Q HN 0.196 nan 8.270 nan 0.000 0.455 314 L N 0.874 121.849 121.223 -0.414 0.000 2.492 314 L HA 0.026 4.366 4.340 0.000 0.000 0.223 314 L C 0.985 177.659 176.870 -0.327 0.000 1.132 314 L CA 0.996 55.609 54.840 -0.378 0.000 0.850 314 L CB -0.053 41.820 42.059 -0.311 0.000 0.966 314 L HN 0.020 nan 8.230 nan 0.000 0.454 315 N N -0.717 117.811 118.700 -0.287 0.000 2.432 315 N HA -0.014 4.726 4.740 0.000 0.000 0.174 315 N C 1.467 176.858 175.510 -0.198 0.000 1.037 315 N CA 0.707 53.631 53.050 -0.209 0.000 0.892 315 N CB 0.064 38.456 38.487 -0.158 0.000 1.049 315 N HN 0.389 nan 8.380 nan 0.000 0.442 316 E N 1.052 121.105 120.200 -0.245 0.000 2.204 316 E HA -0.040 4.310 4.350 0.000 0.000 0.194 316 E C 0.759 177.204 176.600 -0.260 0.000 0.989 316 E CA 0.181 56.461 56.400 -0.200 0.000 0.824 316 E CB -0.047 29.558 29.700 -0.159 0.000 0.756 316 E HN 0.486 nan 8.360 nan 0.000 0.477 317 I N -0.005 120.280 120.570 -0.476 0.000 2.836 317 I HA 0.153 4.323 4.170 0.000 0.000 0.285 317 I C 0.014 176.081 176.117 -0.083 0.000 1.174 317 I CA -0.346 60.679 61.300 -0.458 0.000 1.405 317 I CB 0.457 38.059 38.000 -0.662 0.000 1.385 317 I HN -0.176 nan 8.210 nan 0.000 0.594 318 N N 2.458 121.188 118.700 0.049 0.000 2.416 318 N HA 0.201 4.941 4.740 0.000 0.000 0.276 318 N C -0.228 175.327 175.510 0.075 0.000 1.261 318 N CA -0.748 52.377 53.050 0.126 0.000 0.790 318 N CB 1.193 39.718 38.487 0.063 0.000 1.554 318 N HN 0.699 nan 8.380 nan 0.000 0.481 319 Y N 1.026 121.248 120.300 -0.129 0.000 2.497 319 Y HA 0.073 4.623 4.550 0.000 0.000 0.292 319 Y C 1.114 176.865 175.900 -0.248 0.000 1.137 319 Y CA 1.510 59.305 58.100 -0.508 0.000 1.285 319 Y CB 0.436 38.637 38.460 -0.432 0.000 0.991 319 Y HN 0.557 nan 8.280 nan 0.000 0.556 320 E N -0.192 119.961 120.200 -0.077 0.000 2.481 320 E HA -0.104 4.246 4.350 0.000 0.000 0.195 320 E C 1.096 177.613 176.600 -0.139 0.000 1.047 320 E CA 0.630 56.977 56.400 -0.089 0.000 0.867 320 E CB -0.063 29.635 29.700 -0.004 0.000 0.858 320 E HN 0.617 nan 8.360 nan 0.000 0.513 321 D N 0.234 120.538 120.400 -0.160 0.000 2.219 321 D HA -0.101 4.539 4.640 0.000 0.000 0.205 321 D C 0.633 176.660 176.300 -0.455 0.000 0.970 321 D CA 1.034 54.897 54.000 -0.229 0.000 0.851 321 D CB -0.000 40.721 40.800 -0.131 0.000 0.943 321 D HN 0.328 nan 8.370 nan 0.000 0.488 322 H N -0.384 118.561 119.070 -0.209 0.000 2.500 322 H HA 0.221 4.777 4.556 0.000 0.000 0.243 322 H C 1.117 176.279 175.328 -0.277 0.000 1.318 322 H CA -0.108 55.815 56.048 -0.208 0.000 1.077 322 H CB 0.843 30.464 29.762 -0.234 0.000 1.748 322 H HN 0.090 nan 8.280 nan 0.000 0.556 323 K N 0.603 120.914 120.400 -0.148 0.000 2.168 323 K HA -0.028 4.292 4.320 0.000 0.000 0.201 323 K C 1.814 178.383 176.600 -0.051 0.000 1.049 323 K CA 0.121 56.334 56.287 -0.124 0.000 0.974 323 K CB 0.428 32.872 32.500 -0.094 0.000 0.792 323 K HN 0.118 nan 8.250 nan 0.000 0.463 324 L N 1.809 123.013 121.223 -0.032 0.000 2.042 324 L HA -0.090 4.250 4.340 0.000 0.000 0.210 324 L C -0.006 176.876 176.870 0.020 0.000 1.076 324 L CA 1.884 56.722 54.840 -0.003 0.000 0.749 324 L CB -0.044 42.015 42.059 0.000 0.000 0.893 324 L HN -0.024 nan 8.230 nan 0.000 0.432 325 K N -0.178 120.246 120.400 0.040 0.000 2.606 325 K HA 0.254 4.574 4.320 0.000 0.000 0.196 325 K C 0.038 176.653 176.600 0.026 0.000 1.048 325 K CA 0.254 56.579 56.287 0.063 0.000 1.017 325 K CB 0.568 33.164 32.500 0.159 0.000 1.413 325 K HN 0.197 nan 8.250 nan 0.000 0.568 326 S N 0.059 115.750 115.700 -0.015 0.000 4.120 326 S HA 0.227 4.697 4.470 0.000 0.000 0.196 326 S C 0.578 175.147 174.600 -0.052 0.000 1.447 326 S CA -0.784 57.383 58.200 -0.054 0.000 0.939 326 S CB 0.333 63.497 63.200 -0.060 0.000 1.496 326 S HN 0.481 nan 8.310 nan 0.000 0.460 327 G N 0.549 109.309 108.800 -0.067 0.000 2.531 327 G HA2 0.606 4.566 3.960 0.000 0.000 0.313 327 G HA3 0.606 4.566 3.960 0.000 0.000 0.313 327 G C -0.772 174.094 174.900 -0.056 0.000 1.238 327 G CA -0.873 44.187 45.100 -0.068 0.000 0.994 327 G HN 0.404 nan 8.290 nan 0.000 0.493 328 T N 0.956 115.508 114.554 -0.003 0.000 3.133 328 T HA 0.230 4.580 4.350 0.000 0.000 0.368 328 T C -0.410 174.382 174.700 0.154 0.000 1.190 328 T CA -0.537 61.614 62.100 0.085 0.000 1.282 328 T CB 0.348 69.272 68.868 0.093 0.000 1.042 328 T HN 0.420 nan 8.240 nan 0.000 0.536 329 N N 1.599 120.412 118.700 0.188 0.000 2.898 329 N HA 0.186 4.926 4.740 0.000 0.000 0.245 329 N C 1.119 176.640 175.510 0.020 0.000 1.185 329 N CA -0.393 52.710 53.050 0.088 0.000 0.879 329 N CB 0.765 39.242 38.487 -0.016 0.000 1.157 329 N HN 0.265 nan 8.380 nan 0.000 0.503 330 T N 0.716 115.261 114.554 -0.014 0.000 2.881 330 T HA -0.132 4.218 4.350 0.000 0.000 0.270 330 T C 1.665 176.161 174.700 -0.341 0.000 1.068 330 T CA 1.016 62.912 62.100 -0.341 0.000 1.131 330 T CB 0.263 69.052 68.868 -0.132 0.000 0.871 330 T HN 0.484 nan 8.240 nan 0.000 0.479 331 K N 1.438 121.706 120.400 -0.221 0.000 1.991 331 K HA -0.145 4.175 4.320 0.000 0.000 0.212 331 K C 2.228 178.725 176.600 -0.171 0.000 1.049 331 K CA 1.433 57.606 56.287 -0.189 0.000 0.932 331 K CB -0.079 32.335 32.500 -0.145 0.000 0.717 331 K HN 0.182 nan 8.250 nan 0.000 0.441 332 K N 0.046 120.366 120.400 -0.133 0.000 2.103 332 K HA -0.149 4.171 4.320 0.000 0.000 0.207 332 K C 2.155 178.689 176.600 -0.111 0.000 1.048 332 K CA 1.162 57.398 56.287 -0.084 0.000 0.930 332 K CB -0.180 32.311 32.500 -0.015 0.000 0.716 332 K HN 0.273 nan 8.250 nan 0.000 0.444 333 A N 1.589 124.262 122.820 -0.246 0.000 1.883 333 A HA -0.173 4.147 4.320 0.000 0.000 0.217 333 A C 2.117 179.592 177.584 -0.182 0.000 1.186 333 A CA 1.416 53.266 52.037 -0.312 0.000 0.624 333 A CB -0.687 17.727 19.000 -0.978 0.000 0.822 333 A HN 0.177 nan 8.150 nan 0.000 0.444 334 L N -1.003 120.100 121.223 -0.202 0.000 2.141 334 L HA -0.216 4.124 4.340 0.000 0.000 0.209 334 L C 2.821 179.646 176.870 -0.075 0.000 1.094 334 L CA 1.310 56.074 54.840 -0.126 0.000 0.763 334 L CB -0.650 41.328 42.059 -0.136 0.000 0.908 334 L HN 0.494 nan 8.230 nan 0.000 0.437 335 Q N 0.012 119.762 119.800 -0.084 0.000 2.170 335 Q HA -0.179 4.161 4.340 0.000 0.000 0.203 335 Q C 2.456 178.473 176.000 0.028 0.000 0.976 335 Q CA 1.479 57.253 55.803 -0.048 0.000 0.858 335 Q CB -0.243 28.444 28.738 -0.085 0.000 0.907 335 Q HN 0.565 nan 8.270 nan 0.000 0.433 336 A N 0.370 123.198 122.820 0.013 0.000 1.933 336 A HA -0.122 4.198 4.320 0.000 0.000 0.218 336 A C 2.282 179.897 177.584 0.051 0.000 1.175 336 A CA 1.220 53.286 52.037 0.048 0.000 0.628 336 A CB -0.471 18.567 19.000 0.064 0.000 0.814 336 A HN 0.213 nan 8.150 nan 0.000 0.444 337 V N -1.603 118.314 119.914 0.006 0.000 2.548 337 V HA -0.236 3.884 4.120 0.000 0.000 0.249 337 V C 2.279 178.285 176.094 -0.148 0.000 1.055 337 V CA 1.778 64.022 62.300 -0.094 0.000 1.065 337 V CB -1.080 30.619 31.823 -0.208 0.000 0.681 337 V HN 0.703 nan 8.190 nan 0.000 0.462 338 Y N 2.285 122.472 120.300 -0.190 0.000 2.181 338 Y HA -0.279 4.271 4.550 0.000 0.000 0.288 338 Y C 2.785 178.587 175.900 -0.163 0.000 1.146 338 Y CA 1.863 59.842 58.100 -0.202 0.000 1.164 338 Y CB -0.195 38.160 38.460 -0.175 0.000 0.982 338 Y HN 0.388 nan 8.280 nan 0.000 0.515 339 S N -0.700 115.020 115.700 0.033 0.000 2.481 339 S HA -0.154 4.316 4.470 0.000 0.000 0.231 339 S C 1.726 176.307 174.600 -0.032 0.000 0.996 339 S CA 1.200 59.395 58.200 -0.007 0.000 0.942 339 S CB -0.535 62.703 63.200 0.063 0.000 0.768 339 S HN 0.568 nan 8.310 nan 0.000 0.520 340 M N 1.035 120.631 119.600 -0.007 0.000 2.394 340 M HA 0.245 4.725 4.480 0.000 0.000 0.266 340 M C 2.133 178.491 176.300 0.098 0.000 1.098 340 M CA 0.992 56.352 55.300 0.100 0.000 1.149 340 M CB -0.348 32.395 32.600 0.239 0.000 1.369 340 M HN 0.510 nan 8.290 nan 0.000 0.450 341 M N -1.100 118.459 119.600 -0.069 0.000 2.371 341 M HA 0.302 4.782 4.480 0.000 0.000 0.246 341 M C 0.583 176.695 176.300 -0.314 0.000 1.103 341 M CA -0.391 54.867 55.300 -0.070 0.000 1.010 341 M CB -0.018 32.460 32.600 -0.203 0.000 1.457 341 M HN -0.020 nan 8.290 nan 0.000 0.486 342 S N 0.387 115.816 115.700 -0.452 0.000 2.686 342 S HA 0.715 5.185 4.470 0.000 0.000 0.270 342 S C -0.839 173.576 174.600 -0.309 0.000 1.194 342 S CA -0.764 56.999 58.200 -0.728 0.000 0.990 342 S CB 0.374 63.122 63.200 -0.755 0.000 1.029 342 S HN 0.598 nan 8.310 nan 0.000 0.560 343 W N -1.778 119.450 121.300 -0.120 0.000 3.107 343 W HA 0.703 5.363 4.660 0.000 0.000 0.331 343 W C -3.460 173.024 176.519 -0.058 0.000 1.204 343 W CA -2.597 54.704 57.345 -0.074 0.000 1.184 343 W CB -0.959 28.445 29.460 -0.093 0.000 1.421 343 W HN 0.421 nan 8.180 nan 0.000 0.544 344 P HA 0.165 nan 4.420 nan 0.000 0.271 344 P C -0.565 176.829 177.300 0.158 0.000 1.233 344 P CA 0.388 63.574 63.100 0.142 0.000 0.764 344 P CB 0.578 32.334 31.700 0.094 0.000 0.825 345 D N 1.300 121.774 120.400 0.124 0.000 2.746 345 D HA -0.180 4.460 4.640 0.000 0.000 0.236 345 D C -0.104 176.271 176.300 0.125 0.000 1.129 345 D CA 1.355 55.411 54.000 0.094 0.000 0.691 345 D CB -1.904 38.926 40.800 0.050 0.000 1.077 345 D HN 0.635 nan 8.370 nan 0.000 0.432 346 D N -0.927 119.624 120.400 0.251 0.000 3.003 346 D HA -0.199 4.441 4.640 0.000 0.000 0.223 346 D C -1.185 175.145 176.300 0.049 0.000 1.204 346 D CA 0.770 54.957 54.000 0.311 0.000 0.828 346 D CB -0.552 40.343 40.800 0.158 0.000 0.918 346 D HN 0.230 nan 8.370 nan 0.000 0.401 347 V N 3.764 123.537 119.914 -0.235 0.000 2.668 347 V HA 0.436 4.556 4.120 0.000 0.000 0.304 347 V C -2.191 173.137 176.094 -1.277 0.000 1.071 347 V CA -1.427 60.532 62.300 -0.567 0.000 0.894 347 V CB 2.568 34.223 31.823 -0.281 0.000 1.008 347 V HN 0.150 nan 8.190 nan 0.000 0.425 348 P HA 0.293 nan 4.420 nan 0.000 0.273 348 P C -2.147 174.754 177.300 -0.665 0.000 1.428 348 P CA -1.126 61.094 63.100 -1.467 0.000 0.995 348 P CB 0.554 31.418 31.700 -1.393 0.000 1.286 349 P HA -0.095 nan 4.420 nan 0.000 0.199 349 P C -0.231 177.044 177.300 -0.043 0.000 1.118 349 P CA 1.497 64.495 63.100 -0.170 0.000 0.913 349 P CB 0.235 31.899 31.700 -0.060 0.000 0.738 350 E N -2.384 117.850 120.200 0.057 0.000 2.522 350 E HA 0.454 4.804 4.350 0.000 0.000 0.315 350 E C -0.238 176.424 176.600 0.103 0.000 0.917 350 E CA 0.234 56.686 56.400 0.086 0.000 0.796 350 E CB 0.231 29.952 29.700 0.035 0.000 1.323 350 E HN 0.402 nan 8.360 nan 0.000 0.397 351 G N 4.384 113.237 108.800 0.088 0.000 2.132 351 G HA2 -0.251 3.709 3.960 0.000 0.000 0.234 351 G HA3 -0.251 3.709 3.960 0.000 0.000 0.234 351 G C 0.850 175.777 174.900 0.046 0.000 0.989 351 G CA 0.387 45.498 45.100 0.019 0.000 0.676 351 G HN 0.651 nan 8.290 nan 0.000 0.522 352 W N 1.672 122.958 121.300 -0.022 0.000 2.381 352 W HA -0.038 4.622 4.660 0.000 0.000 0.301 352 W C 1.102 177.656 176.519 0.058 0.000 1.205 352 W CA 1.417 58.789 57.345 0.045 0.000 1.285 352 W CB -0.952 28.458 29.460 -0.083 0.000 1.133 352 W HN 0.519 nan 8.180 nan 0.000 0.521 353 N N 1.135 119.086 118.700 -1.248 0.000 2.346 353 N HA 0.020 4.760 4.740 0.000 0.000 0.225 353 N C 0.862 175.962 175.510 -0.683 0.000 1.144 353 N CA -0.035 52.241 53.050 -1.290 0.000 0.837 353 N CB -0.611 36.782 38.487 -1.825 0.000 1.069 353 N HN 0.353 nan 8.380 nan 0.000 0.487 354 R N -1.416 118.912 120.500 -0.285 0.000 2.531 354 R HA 0.193 4.533 4.340 0.000 0.000 0.316 354 R C -0.457 175.927 176.300 0.139 0.000 0.955 354 R CA -0.108 55.990 56.100 -0.004 0.000 1.120 354 R CB 0.762 31.038 30.300 -0.038 0.000 1.361 354 R HN 0.042 nan 8.270 nan 0.000 0.534 355 T N 1.638 116.263 114.554 0.117 0.000 2.767 355 T HA 0.365 4.715 4.350 0.000 0.000 0.284 355 T C -0.221 174.521 174.700 0.069 0.000 0.973 355 T CA -0.578 61.550 62.100 0.047 0.000 0.996 355 T CB 1.491 70.336 68.868 -0.039 0.000 0.927 355 T HN -0.111 nan 8.240 nan 0.000 0.456 356 R N 2.272 122.766 120.500 -0.010 0.000 2.390 356 R HA 0.450 4.790 4.340 0.000 0.000 0.291 356 R C -0.521 175.702 176.300 -0.129 0.000 1.070 356 R CA -0.327 55.776 56.100 0.005 0.000 1.014 356 R CB 0.157 30.423 30.300 -0.057 0.000 1.007 356 R HN 0.635 nan 8.270 nan 0.000 0.466 357 H N 0.141 119.331 119.070 0.200 0.000 2.466 357 H HA 0.482 5.038 4.556 0.000 0.000 0.338 357 H C -0.872 174.602 175.328 0.243 0.000 1.091 357 H CA -0.674 55.535 56.048 0.269 0.000 1.207 357 H CB 1.518 31.477 29.762 0.328 0.000 1.466 357 H HN 0.150 nan 8.280 nan 0.000 0.493 358 V N 5.408 125.548 119.914 0.377 0.000 2.380 358 V HA 0.251 4.371 4.120 0.000 0.000 0.286 358 V C -0.262 176.105 176.094 0.454 0.000 1.015 358 V CA -0.501 62.012 62.300 0.356 0.000 0.834 358 V CB 0.967 32.960 31.823 0.283 0.000 1.009 358 V HN 0.683 nan 8.190 nan 0.000 0.428 359 I N 6.204 127.029 120.570 0.425 0.000 2.312 359 I HA 0.477 4.647 4.170 0.000 0.000 0.290 359 I C -0.493 175.883 176.117 0.433 0.000 1.008 359 I CA -0.216 61.331 61.300 0.412 0.000 1.226 359 I CB 1.241 39.390 38.000 0.249 0.000 1.371 359 I HN 0.433 nan 8.210 nan 0.000 0.468 360 I N 8.108 128.952 120.570 0.457 0.000 2.382 360 I HA 0.411 4.581 4.170 0.000 0.000 0.286 360 I C -0.505 175.858 176.117 0.410 0.000 1.002 360 I CA -0.679 60.933 61.300 0.520 0.000 1.135 360 I CB 1.382 39.708 38.000 0.544 0.000 1.288 360 I HN 0.431 nan 8.210 nan 0.000 0.448 361 L N 3.536 125.009 121.223 0.416 0.000 2.410 361 L HA 0.757 5.097 4.340 0.000 0.000 0.270 361 L C -1.176 175.913 176.870 0.364 0.000 0.983 361 L CA -0.938 54.106 54.840 0.340 0.000 0.822 361 L CB 2.009 44.238 42.059 0.282 0.000 1.285 361 L HN 0.392 nan 8.230 nan 0.000 0.409 362 M N 3.084 122.855 119.600 0.286 0.000 2.209 362 M HA 0.685 5.165 4.480 0.000 0.000 0.355 362 M C 0.008 176.454 176.300 0.243 0.000 1.171 362 M CA 0.296 55.746 55.300 0.251 0.000 1.069 362 M CB 1.596 34.265 32.600 0.114 0.000 1.622 362 M HN 0.801 nan 8.290 nan 0.000 0.459 363 T N 0.405 115.101 114.554 0.237 0.000 3.087 363 T HA 0.256 4.606 4.350 0.000 0.000 0.351 363 T C -0.327 174.485 174.700 0.186 0.000 1.520 363 T CA -0.734 61.499 62.100 0.221 0.000 1.111 363 T CB 0.725 69.764 68.868 0.286 0.000 1.353 363 T HN 0.798 nan 8.240 nan 0.000 0.481 364 D N 1.720 122.213 120.400 0.155 0.000 2.363 364 D HA 0.205 4.845 4.640 0.000 0.000 0.220 364 D C 1.701 178.071 176.300 0.117 0.000 0.994 364 D CA 1.300 55.375 54.000 0.124 0.000 0.890 364 D CB -0.474 40.384 40.800 0.098 0.000 0.906 364 D HN 1.348 nan 8.370 nan 0.000 0.530 365 G N 0.310 109.201 108.800 0.153 0.000 2.205 365 G HA2 -0.299 3.661 3.960 0.000 0.000 0.261 365 G HA3 -0.299 3.661 3.960 0.000 0.000 0.261 365 G C 0.428 175.376 174.900 0.079 0.000 0.980 365 G CA 0.295 45.493 45.100 0.163 0.000 0.632 365 G HN 0.440 nan 8.290 nan 0.000 0.533 366 L N 2.864 124.110 121.223 0.038 0.000 2.533 366 L HA 0.299 4.639 4.340 0.000 0.000 0.239 366 L C 1.195 178.044 176.870 -0.035 0.000 1.376 366 L CA -0.582 54.224 54.840 -0.057 0.000 1.240 366 L CB -0.916 41.136 42.059 -0.013 0.000 1.487 366 L HN 0.528 nan 8.230 nan 0.000 0.419 367 H N -0.899 118.207 119.070 0.060 0.000 2.629 367 H HA 0.252 4.808 4.556 0.000 0.000 0.357 367 H C 0.577 175.925 175.328 0.032 0.000 1.121 367 H CA -0.656 55.426 56.048 0.058 0.000 1.406 367 H CB 0.541 30.337 29.762 0.056 0.000 1.456 367 H HN 0.351 nan 8.280 nan 0.000 0.579 368 N N 1.593 120.378 118.700 0.141 0.000 2.008 368 N HA 0.084 4.824 4.740 0.000 0.000 0.228 368 N C -0.704 174.851 175.510 0.074 0.000 1.375 368 N CA -0.160 52.935 53.050 0.075 0.000 0.856 368 N CB 0.556 39.059 38.487 0.025 0.000 1.096 368 N HN 0.559 nan 8.380 nan 0.000 0.489 369 M N -0.053 119.594 119.600 0.077 0.000 2.253 369 M HA 0.601 5.081 4.480 0.000 0.000 0.314 369 M C 0.416 176.726 176.300 0.017 0.000 1.019 369 M CA -0.190 55.127 55.300 0.028 0.000 0.932 369 M CB 2.507 35.099 32.600 -0.014 0.000 1.606 369 M HN 0.288 nan 8.290 nan 0.000 0.430 370 G N 1.441 110.241 108.800 -0.000 0.000 2.376 370 G HA2 0.050 4.010 3.960 0.000 0.000 0.208 370 G HA3 0.050 4.010 3.960 0.000 0.000 0.208 370 G C 0.375 175.256 174.900 -0.031 0.000 1.032 370 G CA -0.220 44.863 45.100 -0.028 0.000 0.641 370 G HN 1.514 nan 8.290 nan 0.000 0.503 371 G N 0.113 108.910 108.800 -0.006 0.000 2.460 371 G HA2 0.286 4.246 3.960 0.000 0.000 0.207 371 G HA3 0.286 4.246 3.960 0.000 0.000 0.207 371 G C -1.039 173.822 174.900 -0.065 0.000 1.170 371 G CA 0.743 45.842 45.100 -0.002 0.000 1.151 371 G HN 1.370 nan 8.290 nan 0.000 0.575 372 D N 1.831 122.184 120.400 -0.079 0.000 2.339 372 D HA 0.592 5.232 4.640 0.000 0.000 0.241 372 D C -0.935 175.246 176.300 -0.200 0.000 1.183 372 D CA -1.985 51.935 54.000 -0.133 0.000 0.859 372 D CB 1.518 42.291 40.800 -0.046 0.000 1.067 372 D HN 0.013 nan 8.370 nan 0.000 0.484 373 P HA -0.039 nan 4.420 nan 0.000 0.222 373 P C 1.516 178.719 177.300 -0.162 0.000 1.147 373 P CA 0.643 63.591 63.100 -0.253 0.000 0.790 373 P CB 0.229 31.745 31.700 -0.307 0.000 0.780 374 I N -0.239 120.254 120.570 -0.129 0.000 2.264 374 I HA -0.277 3.893 4.170 0.000 0.000 0.248 374 I C 2.319 178.382 176.117 -0.089 0.000 1.111 374 I CA 2.134 63.382 61.300 -0.087 0.000 1.382 374 I CB -1.512 36.453 38.000 -0.059 0.000 1.060 374 I HN 0.125 nan 8.210 nan 0.000 0.418 375 T N -1.033 113.463 114.554 -0.096 0.000 2.778 375 T HA -0.145 4.205 4.350 0.000 0.000 0.269 375 T C 1.752 176.381 174.700 -0.119 0.000 1.050 375 T CA 1.506 63.548 62.100 -0.097 0.000 1.137 375 T CB -0.955 67.854 68.868 -0.097 0.000 0.860 375 T HN 0.200 nan 8.240 nan 0.000 0.468 376 V N 1.579 121.413 119.914 -0.133 0.000 2.379 376 V HA -0.048 4.072 4.120 0.000 0.000 0.245 376 V C 2.766 178.795 176.094 -0.110 0.000 1.044 376 V CA 0.964 63.172 62.300 -0.154 0.000 1.036 376 V CB -0.626 31.104 31.823 -0.156 0.000 0.664 376 V HN 0.417 nan 8.190 nan 0.000 0.453 377 I N 0.739 121.256 120.570 -0.089 0.000 2.208 377 I HA -0.232 3.938 4.170 0.000 0.000 0.245 377 I C 2.277 178.361 176.117 -0.054 0.000 1.097 377 I CA 1.756 63.017 61.300 -0.066 0.000 1.363 377 I CB -1.303 36.658 38.000 -0.065 0.000 1.051 377 I HN 0.348 nan 8.210 nan 0.000 0.413 378 D N 0.834 121.197 120.400 -0.062 0.000 2.144 378 D HA -0.175 4.465 4.640 0.000 0.000 0.199 378 D C 2.137 178.411 176.300 -0.043 0.000 0.984 378 D CA 1.062 55.030 54.000 -0.052 0.000 0.834 378 D CB -0.188 40.577 40.800 -0.057 0.000 0.955 378 D HN 0.474 nan 8.370 nan 0.000 0.465 379 E N 0.162 120.323 120.200 -0.064 0.000 2.110 379 E HA -0.098 4.252 4.350 0.000 0.000 0.193 379 E C 2.328 178.984 176.600 0.094 0.000 0.988 379 E CA 0.413 56.783 56.400 -0.049 0.000 0.804 379 E CB -0.015 29.541 29.700 -0.241 0.000 0.745 379 E HN 0.333 nan 8.360 nan 0.000 0.458 380 I N 0.914 121.531 120.570 0.079 0.000 2.226 380 I HA -0.283 3.887 4.170 0.000 0.000 0.245 380 I C 2.476 178.593 176.117 -0.000 0.000 1.100 380 I CA 1.193 62.524 61.300 0.052 0.000 1.374 380 I CB -0.280 37.706 38.000 -0.023 0.000 1.057 380 I HN 0.041 nan 8.210 nan 0.000 0.413 381 R N 0.710 121.211 120.500 0.001 0.000 2.081 381 R HA -0.173 4.167 4.340 0.000 0.000 0.235 381 R C 1.865 178.183 176.300 0.030 0.000 1.131 381 R CA 1.698 57.804 56.100 0.010 0.000 0.960 381 R CB -0.402 29.890 30.300 -0.012 0.000 0.856 381 R HN 0.352 nan 8.270 nan 0.000 0.436 382 D N 0.618 121.031 120.400 0.022 0.000 2.178 382 D HA -0.133 4.507 4.640 0.000 0.000 0.202 382 D C 1.730 178.090 176.300 0.100 0.000 0.974 382 D CA 0.737 54.759 54.000 0.037 0.000 0.841 382 D CB -0.112 40.701 40.800 0.021 0.000 0.953 382 D HN 0.060 nan 8.370 nan 0.000 0.478 383 L N 0.030 121.288 121.223 0.059 0.000 2.156 383 L HA 0.017 4.357 4.340 0.000 0.000 0.208 383 L C 1.649 178.600 176.870 0.136 0.000 1.095 383 L CA 1.344 56.156 54.840 -0.047 0.000 0.770 383 L CB -0.123 41.748 42.059 -0.313 0.000 0.914 383 L HN -0.013 nan 8.230 nan 0.000 0.439 384 L N -1.937 119.403 121.223 0.194 0.000 2.607 384 L HA 0.077 4.417 4.340 0.000 0.000 0.228 384 L C 0.074 177.252 176.870 0.513 0.000 1.123 384 L CA -0.301 54.770 54.840 0.385 0.000 0.890 384 L CB -0.360 41.809 42.059 0.184 0.000 1.103 384 L HN 0.186 nan 8.230 nan 0.000 0.468 385 Y N 1.376 121.844 120.300 0.280 0.000 3.018 385 Y HA -0.253 4.297 4.550 0.000 0.000 0.181 385 Y C -0.332 175.645 175.900 0.128 0.000 1.542 385 Y CA -0.108 58.128 58.100 0.226 0.000 0.975 385 Y CB -1.261 37.414 38.460 0.360 0.000 1.379 385 Y HN 0.115 nan 8.280 nan 0.000 0.423 386 I N 1.287 121.882 120.570 0.041 0.000 2.474 386 I HA 0.504 4.674 4.170 0.000 0.000 0.294 386 I C 1.272 177.355 176.117 -0.057 0.000 1.005 386 I CA -0.299 61.018 61.300 0.029 0.000 1.113 386 I CB 1.712 39.755 38.000 0.072 0.000 1.289 386 I HN 0.484 nan 8.210 nan 0.000 0.436 387 G N 4.401 113.176 108.800 -0.042 0.000 2.168 387 G HA2 -0.304 3.656 3.960 0.000 0.000 0.257 387 G HA3 -0.304 3.656 3.960 0.000 0.000 0.257 387 G C 0.533 175.361 174.900 -0.120 0.000 0.997 387 G CA 0.224 45.290 45.100 -0.057 0.000 0.708 387 G HN 0.732 nan 8.290 nan 0.000 0.520 388 K N -0.258 119.998 120.400 -0.240 0.000 2.455 388 K HA 0.269 4.589 4.320 0.000 0.000 0.206 388 K C -0.375 176.072 176.600 -0.255 0.000 1.027 388 K CA -0.095 55.978 56.287 -0.357 0.000 1.113 388 K CB 0.756 32.821 32.500 -0.724 0.000 0.850 388 K HN 0.242 nan 8.250 nan 0.000 0.503 389 D N 0.748 121.097 120.400 -0.085 0.000 2.763 389 D HA 0.069 4.709 4.640 0.000 0.000 0.235 389 D C 0.772 177.091 176.300 0.031 0.000 1.334 389 D CA -0.501 53.525 54.000 0.043 0.000 0.950 389 D CB 1.125 42.040 40.800 0.191 0.000 1.433 389 D HN 0.067 nan 8.370 nan 0.000 0.580 390 R N 3.210 123.723 120.500 0.022 0.000 2.120 390 R HA -0.094 4.246 4.340 0.000 0.000 0.234 390 R C 1.413 177.722 176.300 0.016 0.000 1.123 390 R CA 0.956 57.062 56.100 0.009 0.000 0.975 390 R CB 0.079 30.379 30.300 -0.000 0.000 0.866 390 R HN 0.235 nan 8.270 nan 0.000 0.446 391 K N 0.380 120.798 120.400 0.030 0.000 2.284 391 K HA -0.011 4.309 4.320 0.000 0.000 0.198 391 K C 0.005 176.631 176.600 0.043 0.000 1.048 391 K CA 0.465 56.768 56.287 0.027 0.000 0.987 391 K CB 0.342 32.857 32.500 0.024 0.000 0.800 391 K HN 0.054 nan 8.250 nan 0.000 0.486 392 N N 0.739 119.479 118.700 0.067 0.000 2.716 392 N HA 0.221 4.961 4.740 0.000 0.000 0.253 392 N C -2.477 173.093 175.510 0.101 0.000 1.170 392 N CA -2.140 50.962 53.050 0.087 0.000 0.807 392 N CB 1.637 40.180 38.487 0.093 0.000 1.183 392 N HN -0.132 nan 8.380 nan 0.000 0.524 393 P HA -0.066 nan 4.420 nan 0.000 0.215 393 P C -0.381 176.985 177.300 0.110 0.000 1.157 393 P CA 1.043 64.186 63.100 0.071 0.000 0.868 393 P CB 0.196 31.930 31.700 0.057 0.000 0.788 394 R N -1.843 118.756 120.500 0.166 0.000 3.656 394 R HA -0.162 4.178 4.340 0.000 0.000 0.297 394 R C 0.622 177.094 176.300 0.287 0.000 1.166 394 R CA 0.233 56.510 56.100 0.294 0.000 0.799 394 R CB -1.961 28.446 30.300 0.178 0.000 1.285 394 R HN 0.303 nan 8.270 nan 0.000 0.477 395 E N 0.336 120.630 120.200 0.158 0.000 2.347 395 E HA -0.124 4.226 4.350 0.000 0.000 0.196 395 E C 1.140 177.781 176.600 0.069 0.000 1.008 395 E CA 0.835 57.291 56.400 0.092 0.000 0.852 395 E CB 0.001 29.724 29.700 0.038 0.000 0.783 395 E HN 0.341 nan 8.360 nan 0.000 0.505 396 D N -0.731 119.693 120.400 0.041 0.000 2.349 396 D HA -0.100 4.540 4.640 0.000 0.000 0.224 396 D C 0.220 176.392 176.300 -0.214 0.000 1.029 396 D CA 0.283 54.213 54.000 -0.117 0.000 0.879 396 D CB -0.065 40.601 40.800 -0.224 0.000 0.906 396 D HN 0.157 nan 8.370 nan 0.000 0.528 397 Y N -0.296 120.039 120.300 0.058 0.000 2.625 397 Y HA 0.377 4.927 4.550 0.000 0.000 0.285 397 Y C -0.211 175.788 175.900 0.165 0.000 1.168 397 Y CA -0.494 57.668 58.100 0.103 0.000 1.250 397 Y CB 0.638 39.166 38.460 0.113 0.000 1.130 397 Y HN -0.123 nan 8.280 nan 0.000 0.526 398 L N 0.713 122.051 121.223 0.192 0.000 2.795 398 L HA 0.459 4.799 4.340 0.000 0.000 0.260 398 L C -2.187 174.704 176.870 0.036 0.000 0.935 398 L CA -0.527 54.407 54.840 0.156 0.000 0.985 398 L CB 1.437 43.569 42.059 0.123 0.000 1.433 398 L HN -0.159 nan 8.230 nan 0.000 0.447 399 D N 3.767 124.193 120.400 0.043 0.000 2.649 399 D HA 0.648 5.288 4.640 0.000 0.000 0.249 399 D C -0.991 175.239 176.300 -0.117 0.000 1.112 399 D CA 0.020 53.949 54.000 -0.119 0.000 0.850 399 D CB 2.954 43.738 40.800 -0.028 0.000 1.399 399 D HN 0.236 nan 8.370 nan 0.000 0.503 400 V N 3.577 123.311 119.914 -0.300 0.000 2.305 400 V HA 0.261 4.381 4.120 0.000 0.000 0.275 400 V C -0.903 175.129 176.094 -0.103 0.000 1.020 400 V CA -0.726 61.509 62.300 -0.109 0.000 0.811 400 V CB -0.070 31.702 31.823 -0.084 0.000 1.031 400 V HN 0.390 nan 8.190 nan 0.000 0.439 401 Y N 3.006 123.487 120.300 0.300 0.000 2.313 401 Y HA 0.571 5.121 4.550 0.000 0.000 0.332 401 Y C 0.270 176.297 175.900 0.212 0.000 1.071 401 Y CA -0.693 57.610 58.100 0.338 0.000 1.169 401 Y CB 1.614 40.404 38.460 0.549 0.000 1.192 401 Y HN 0.330 nan 8.280 nan 0.000 0.487 402 V N 5.324 125.350 119.914 0.187 0.000 2.376 402 V HA 0.323 4.443 4.120 0.000 0.000 0.287 402 V C -0.939 175.172 176.094 0.028 0.000 1.015 402 V CA -1.061 61.328 62.300 0.148 0.000 0.834 402 V CB 0.447 32.340 31.823 0.117 0.000 1.001 402 V HN 0.478 nan 8.190 nan 0.000 0.428 403 F N 2.586 122.723 119.950 0.312 0.000 2.385 403 F HA 0.668 5.195 4.527 0.000 0.000 0.360 403 F C 0.995 176.905 175.800 0.184 0.000 1.122 403 F CA -0.544 57.611 58.000 0.259 0.000 1.090 403 F CB 1.732 40.837 39.000 0.175 0.000 1.150 403 F HN 0.523 nan 8.300 nan 0.000 0.472 404 G N 3.270 112.251 108.800 0.303 0.000 2.547 404 G HA2 0.536 4.496 3.960 0.000 0.000 0.327 404 G HA3 0.536 4.496 3.960 0.000 0.000 0.327 404 G C -1.327 173.687 174.900 0.191 0.000 1.118 404 G CA -0.475 44.755 45.100 0.216 0.000 1.022 404 G HN 0.456 nan 8.290 nan 0.000 0.464 405 V N 1.659 121.672 119.914 0.165 0.000 2.443 405 V HA 0.877 4.997 4.120 0.000 0.000 0.293 405 V C 0.517 176.669 176.094 0.097 0.000 1.021 405 V CA 0.034 62.407 62.300 0.122 0.000 0.848 405 V CB 1.264 33.143 31.823 0.094 0.000 0.998 405 V HN 1.278 nan 8.190 nan 0.000 0.424 406 G N 5.983 114.835 108.800 0.086 0.000 2.423 406 G HA2 0.029 3.989 3.960 0.000 0.000 0.234 406 G HA3 0.029 3.989 3.960 0.000 0.000 0.234 406 G C -2.790 172.153 174.900 0.072 0.000 2.480 406 G CA -0.990 44.154 45.100 0.073 0.000 0.953 406 G HN 0.563 nan 8.290 nan 0.000 0.575 407 P HA 0.128 nan 4.420 nan 0.000 0.253 407 P C 0.376 177.709 177.300 0.055 0.000 1.170 407 P CA 0.140 63.282 63.100 0.070 0.000 0.806 407 P CB 0.447 32.191 31.700 0.074 0.000 0.775 408 L N 4.799 126.051 121.223 0.049 0.000 2.265 408 L HA 0.356 4.696 4.340 0.000 0.000 0.288 408 L C 0.372 177.276 176.870 0.056 0.000 1.058 408 L CA -0.427 54.442 54.840 0.049 0.000 0.809 408 L CB 1.537 43.614 42.059 0.031 0.000 1.179 408 L HN 0.126 nan 8.230 nan 0.000 0.429 409 V N 5.582 125.535 119.914 0.065 0.000 2.384 409 V HA 0.356 4.476 4.120 0.000 0.000 0.287 409 V C 0.064 176.191 176.094 0.055 0.000 1.020 409 V CA -0.672 61.671 62.300 0.072 0.000 0.850 409 V CB 1.745 33.624 31.823 0.093 0.000 0.987 409 V HN 0.799 nan 8.190 nan 0.000 0.436 410 N N 5.162 123.889 118.700 0.045 0.000 2.555 410 N HA 0.222 4.962 4.740 0.000 0.000 0.244 410 N C 1.019 176.551 175.510 0.037 0.000 1.114 410 N CA 0.217 53.283 53.050 0.028 0.000 0.963 410 N CB 1.019 39.508 38.487 0.003 0.000 1.276 410 N HN 0.782 nan 8.380 nan 0.000 0.510 411 Q N 1.429 121.246 119.800 0.029 0.000 2.234 411 Q HA -0.117 4.223 4.340 0.000 0.000 0.206 411 Q C 1.445 177.454 176.000 0.014 0.000 0.980 411 Q CA 1.102 56.918 55.803 0.021 0.000 0.869 411 Q CB 0.207 28.947 28.738 0.004 0.000 0.912 411 Q HN 0.457 nan 8.270 nan 0.000 0.436 412 V N 1.560 121.484 119.914 0.016 0.000 2.343 412 V HA -0.261 3.859 4.120 0.000 0.000 0.247 412 V C 1.594 177.707 176.094 0.032 0.000 1.051 412 V CA 1.916 64.226 62.300 0.016 0.000 1.036 412 V CB -0.474 31.359 31.823 0.016 0.000 0.654 412 V HN 0.401 nan 8.190 nan 0.000 0.451 413 N N 0.590 119.322 118.700 0.053 0.000 2.173 413 N HA -0.015 4.725 4.740 0.000 0.000 0.184 413 N C 1.856 177.416 175.510 0.084 0.000 1.025 413 N CA 1.675 54.783 53.050 0.097 0.000 0.852 413 N CB -0.486 38.096 38.487 0.159 0.000 0.998 413 N HN 0.668 nan 8.380 nan 0.000 0.427 414 I N -1.089 119.527 120.570 0.078 0.000 2.567 414 I HA -0.117 4.053 4.170 0.000 0.000 0.257 414 I C 1.765 177.902 176.117 0.034 0.000 1.184 414 I CA 1.505 62.849 61.300 0.074 0.000 1.451 414 I CB -0.243 37.807 38.000 0.084 0.000 1.089 414 I HN -0.073 nan 8.210 nan 0.000 0.441 415 N N 2.088 120.796 118.700 0.013 0.000 2.336 415 N HA 0.029 4.769 4.740 0.000 0.000 0.177 415 N C 1.887 177.383 175.510 -0.022 0.000 1.018 415 N CA 1.534 54.573 53.050 -0.019 0.000 0.878 415 N CB -0.096 38.373 38.487 -0.029 0.000 0.997 415 N HN 0.428 nan 8.380 nan 0.000 0.433 416 A N 0.439 123.256 122.820 -0.004 0.000 2.019 416 A HA 0.006 4.326 4.320 0.000 0.000 0.219 416 A C 2.181 179.751 177.584 -0.025 0.000 1.164 416 A CA 0.882 52.912 52.037 -0.011 0.000 0.644 416 A CB -0.508 18.497 19.000 0.008 0.000 0.805 416 A HN 0.362 nan 8.150 nan 0.000 0.449 417 L N -1.034 120.180 121.223 -0.014 0.000 2.168 417 L HA 0.156 4.496 4.340 0.000 0.000 0.203 417 L C 1.691 178.532 176.870 -0.048 0.000 1.078 417 L CA 0.231 55.057 54.840 -0.024 0.000 0.780 417 L CB -0.611 41.450 42.059 0.003 0.000 0.939 417 L HN 0.351 nan 8.230 nan 0.000 0.451 418 A N 0.390 123.185 122.820 -0.042 0.000 2.520 418 A HA 0.209 4.529 4.320 0.000 0.000 0.235 418 A C 0.608 178.080 177.584 -0.186 0.000 1.065 418 A CA -0.068 51.917 52.037 -0.085 0.000 0.764 418 A CB 0.094 19.072 19.000 -0.036 0.000 1.002 418 A HN 0.248 nan 8.150 nan 0.000 0.502 419 S N 0.512 115.974 115.700 -0.397 0.000 2.589 419 S HA 0.338 4.808 4.470 0.000 0.000 0.265 419 S C -0.093 174.265 174.600 -0.403 0.000 1.342 419 S CA 0.035 57.928 58.200 -0.510 0.000 1.005 419 S CB 0.405 63.104 63.200 -0.835 0.000 0.909 419 S HN 0.522 nan 8.310 nan 0.000 0.555 420 K N 1.768 122.020 120.400 -0.248 0.000 2.579 420 K HA 0.354 4.674 4.320 0.000 0.000 0.225 420 K C -0.897 175.672 176.600 -0.052 0.000 0.992 420 K CA -0.121 56.105 56.287 -0.101 0.000 1.018 420 K CB 1.082 33.537 32.500 -0.075 0.000 1.249 420 K HN 0.314 nan 8.250 nan 0.000 0.489 421 K N 0.997 121.415 120.400 0.029 0.000 2.203 421 K HA 0.242 4.562 4.320 0.000 0.000 0.251 421 K C -0.754 175.869 176.600 0.038 0.000 0.944 421 K CA -1.172 55.145 56.287 0.049 0.000 0.829 421 K CB 1.599 34.167 32.500 0.113 0.000 1.125 421 K HN 0.395 nan 8.250 nan 0.000 0.430 422 D N 1.986 122.398 120.400 0.020 0.000 2.493 422 D HA -0.087 4.553 4.640 0.000 0.000 0.240 422 D C 0.484 176.777 176.300 -0.011 0.000 1.142 422 D CA 1.089 55.093 54.000 0.006 0.000 0.872 422 D CB 0.251 41.063 40.800 0.020 0.000 1.173 422 D HN 0.588 nan 8.370 nan 0.000 0.467 423 N N 2.011 120.693 118.700 -0.029 0.000 2.714 423 N HA -0.240 4.500 4.740 0.000 0.000 0.250 423 N C -1.241 174.245 175.510 -0.039 0.000 1.117 423 N CA 1.101 54.128 53.050 -0.039 0.000 0.719 423 N CB -0.718 37.745 38.487 -0.039 0.000 1.081 423 N HN 0.685 nan 8.380 nan 0.000 0.557 424 E N -0.013 120.165 120.200 -0.037 0.000 2.293 424 E HA 0.313 4.663 4.350 0.000 0.000 0.270 424 E C -0.764 175.767 176.600 -0.114 0.000 0.879 424 E CA -0.648 55.710 56.400 -0.069 0.000 0.756 424 E CB 1.947 31.621 29.700 -0.045 0.000 1.208 424 E HN 0.223 nan 8.360 nan 0.000 0.428 425 Q N 2.021 121.705 119.800 -0.195 0.000 2.316 425 Q HA 0.276 4.616 4.340 0.000 0.000 0.264 425 Q C -0.290 175.429 176.000 -0.468 0.000 0.987 425 Q CA -0.365 55.263 55.803 -0.291 0.000 0.852 425 Q CB 0.872 29.433 28.738 -0.294 0.000 1.287 425 Q HN 0.700 nan 8.270 nan 0.000 0.448 426 H N 1.640 120.513 119.070 -0.329 0.000 3.255 426 H HA 0.203 4.759 4.556 0.000 0.000 0.256 426 H C -0.303 174.803 175.328 -0.369 0.000 1.049 426 H CA 0.257 56.212 56.048 -0.155 0.000 1.202 426 H CB 1.324 30.960 29.762 -0.211 0.000 1.497 426 H HN 0.271 nan 8.280 nan 0.000 0.503 427 V N 2.570 122.190 119.914 -0.489 0.000 2.407 427 V HA 0.173 4.293 4.120 0.000 0.000 0.278 427 V C -0.710 174.977 176.094 -0.679 0.000 1.037 427 V CA -0.083 61.982 62.300 -0.392 0.000 0.900 427 V CB 0.593 32.294 31.823 -0.203 0.000 0.983 427 V HN 0.082 nan 8.190 nan 0.000 0.459 428 F N 3.738 123.636 119.950 -0.086 0.000 2.513 428 F HA 0.433 4.960 4.527 0.000 0.000 0.358 428 F C 0.224 176.079 175.800 0.091 0.000 1.118 428 F CA -0.752 57.245 58.000 -0.004 0.000 1.037 428 F CB 1.491 40.469 39.000 -0.036 0.000 1.276 428 F HN 0.328 nan 8.300 nan 0.000 0.446 429 K N 4.512 125.042 120.400 0.216 0.000 2.257 429 K HA 0.492 4.812 4.320 0.000 0.000 0.270 429 K C -0.565 176.187 176.600 0.253 0.000 1.098 429 K CA -0.426 55.983 56.287 0.203 0.000 0.943 429 K CB 0.794 33.370 32.500 0.128 0.000 1.316 429 K HN 0.574 nan 8.250 nan 0.000 0.447 430 V N 2.849 122.917 119.914 0.257 0.000 2.785 430 V HA 0.187 4.307 4.120 0.000 0.000 0.300 430 V C 1.252 177.443 176.094 0.160 0.000 1.062 430 V CA -0.204 62.232 62.300 0.226 0.000 1.029 430 V CB 1.634 33.576 31.823 0.198 0.000 1.024 430 V HN 0.941 nan 8.190 nan 0.000 0.477 431 K N 2.362 122.807 120.400 0.076 0.000 1.965 431 K HA -0.073 4.247 4.320 0.000 0.000 0.214 431 K C 0.368 176.955 176.600 -0.021 0.000 1.046 431 K CA 2.001 58.239 56.287 -0.082 0.000 0.944 431 K CB -0.060 32.218 32.500 -0.370 0.000 0.726 431 K HN 1.056 nan 8.250 nan 0.000 0.441 432 D N -1.717 118.670 120.400 -0.021 0.000 2.559 432 D HA 0.030 4.670 4.640 0.000 0.000 0.250 432 D C 0.652 176.958 176.300 0.010 0.000 1.135 432 D CA -0.637 53.362 54.000 -0.002 0.000 0.955 432 D CB 0.733 41.521 40.800 -0.020 0.000 1.442 432 D HN 0.061 nan 8.370 nan 0.000 0.471 433 M N 0.494 120.097 119.600 0.005 0.000 2.106 433 M HA -0.147 4.333 4.480 0.000 0.000 0.259 433 M C 1.666 177.965 176.300 -0.002 0.000 1.068 433 M CA 2.028 57.325 55.300 -0.006 0.000 1.100 433 M CB -0.744 31.844 32.600 -0.021 0.000 1.351 433 M HN 0.687 nan 8.290 nan 0.000 0.404 434 E N -0.594 119.607 120.200 0.002 0.000 2.085 434 E HA -0.255 4.095 4.350 0.000 0.000 0.194 434 E C 1.565 178.187 176.600 0.038 0.000 0.994 434 E CA 1.641 58.050 56.400 0.015 0.000 0.801 434 E CB -0.092 29.606 29.700 -0.003 0.000 0.743 434 E HN 0.593 nan 8.360 nan 0.000 0.453 435 N N 0.623 119.339 118.700 0.027 0.000 2.142 435 N HA -0.148 4.592 4.740 0.000 0.000 0.186 435 N C 1.822 177.373 175.510 0.069 0.000 1.023 435 N CA 0.680 53.756 53.050 0.044 0.000 0.852 435 N CB -0.453 38.049 38.487 0.024 0.000 0.998 435 N HN 0.183 nan 8.380 nan 0.000 0.424 436 L N 1.868 123.124 121.223 0.055 0.000 2.079 436 L HA -0.143 4.197 4.340 0.000 0.000 0.210 436 L C 1.781 178.678 176.870 0.045 0.000 1.081 436 L CA 1.710 56.580 54.840 0.049 0.000 0.752 436 L CB -0.472 41.587 42.059 -0.000 0.000 0.896 436 L HN 0.174 nan 8.230 nan 0.000 0.433 437 E N -0.617 119.606 120.200 0.037 0.000 2.028 437 E HA -0.218 4.132 4.350 0.000 0.000 0.191 437 E C 1.759 178.503 176.600 0.239 0.000 0.988 437 E CA 1.298 57.732 56.400 0.057 0.000 0.799 437 E CB -0.251 29.581 29.700 0.218 0.000 0.755 437 E HN 0.530 nan 8.360 nan 0.000 0.447 438 D N 0.515 121.105 120.400 0.316 0.000 2.271 438 D HA -0.139 4.501 4.640 0.000 0.000 0.207 438 D C 1.935 178.345 176.300 0.184 0.000 0.983 438 D CA 0.585 54.775 54.000 0.317 0.000 0.878 438 D CB -0.204 40.679 40.800 0.138 0.000 0.920 438 D HN 0.027 nan 8.370 nan 0.000 0.479 439 V N 0.037 120.013 119.914 0.103 0.000 2.343 439 V HA -0.219 3.901 4.120 0.000 0.000 0.247 439 V C 1.780 177.750 176.094 -0.206 0.000 1.051 439 V CA 1.324 63.591 62.300 -0.056 0.000 1.036 439 V CB -0.446 31.311 31.823 -0.111 0.000 0.654 439 V HN 0.117 nan 8.190 nan 0.000 0.451 440 F N -2.168 117.624 119.950 -0.264 0.000 2.776 440 F HA 0.180 4.707 4.527 0.000 0.000 0.300 440 F C 1.894 177.517 175.800 -0.295 0.000 1.116 440 F CA -0.041 57.760 58.000 -0.331 0.000 1.375 440 F CB -0.445 38.275 39.000 -0.466 0.000 1.109 440 F HN 0.114 nan 8.300 nan 0.000 0.585 441 Y N -0.115 120.214 120.300 0.048 0.000 2.243 441 Y HA -0.141 4.409 4.550 0.000 0.000 0.293 441 Y C 2.574 178.464 175.900 -0.018 0.000 1.124 441 Y CA 1.257 59.361 58.100 0.005 0.000 1.159 441 Y CB -0.827 37.629 38.460 -0.006 0.000 1.008 441 Y HN 0.058 nan 8.280 nan 0.000 0.527 442 Q N 0.002 119.877 119.800 0.124 0.000 2.291 442 Q HA -0.194 4.146 4.340 0.000 0.000 0.206 442 Q C 1.825 177.830 176.000 0.009 0.000 0.976 442 Q CA 1.338 57.170 55.803 0.050 0.000 0.875 442 Q CB -0.096 28.657 28.738 0.025 0.000 0.927 442 Q HN 0.515 nan 8.270 nan 0.000 0.450 443 M N -0.382 119.204 119.600 -0.024 0.000 2.123 443 M HA -0.109 4.371 4.480 0.000 0.000 0.263 443 M C 2.050 178.328 176.300 -0.037 0.000 1.069 443 M CA 1.143 56.418 55.300 -0.042 0.000 1.133 443 M CB -0.147 32.400 32.600 -0.089 0.000 1.356 443 M HN 0.225 nan 8.290 nan 0.000 0.415 444 I N 0.538 121.094 120.570 -0.023 0.000 2.264 444 I HA -0.311 3.859 4.170 0.000 0.000 0.248 444 I C 1.610 177.709 176.117 -0.030 0.000 1.111 444 I CA 1.141 62.422 61.300 -0.032 0.000 1.382 444 I CB -0.649 37.353 38.000 0.004 0.000 1.060 444 I HN 0.308 nan 8.210 nan 0.000 0.418 445 D N 0.249 120.648 120.400 -0.002 0.000 2.149 445 D HA -0.055 4.585 4.640 0.000 0.000 0.206 445 D C 1.116 177.408 176.300 -0.013 0.000 0.967 445 D CA 0.497 54.495 54.000 -0.003 0.000 0.848 445 D CB -0.186 40.622 40.800 0.013 0.000 0.998 445 D HN 0.338 nan 8.370 nan 0.000 0.474 446 E N 0.884 121.079 120.200 -0.008 0.000 2.373 446 E HA 0.155 4.505 4.350 0.000 0.000 0.267 446 E C -0.618 175.975 176.600 -0.011 0.000 1.032 446 E CA -0.097 56.302 56.400 -0.002 0.000 0.889 446 E CB 0.504 30.209 29.700 0.008 0.000 0.984 446 E HN -0.032 nan 8.360 nan 0.000 0.425 447 S N 3.980 119.684 115.700 0.005 0.000 2.252 447 S HA 0.209 4.679 4.470 0.000 0.000 0.187 447 S C -0.382 174.255 174.600 0.060 0.000 1.587 447 S CA -0.918 57.293 58.200 0.019 0.000 1.215 447 S CB 0.733 63.933 63.200 0.000 0.000 1.085 447 S HN 0.528 nan 8.310 nan 0.000 0.466 448 Q N 2.321 122.177 119.800 0.093 0.000 2.349 448 Q HA 0.131 4.471 4.340 0.000 0.000 0.287 448 Q C 0.315 176.359 176.000 0.075 0.000 1.044 448 Q CA 0.217 56.065 55.803 0.075 0.000 0.918 448 Q CB 0.406 29.188 28.738 0.073 0.000 1.242 448 Q HN 0.873 nan 8.270 nan 0.000 0.405 449 S N 2.684 118.404 115.700 0.033 0.000 2.515 449 S HA 0.137 4.607 4.470 0.000 0.000 0.285 449 S C -0.067 174.536 174.600 0.005 0.000 1.265 449 S CA -0.380 57.831 58.200 0.018 0.000 1.079 449 S CB 0.152 63.347 63.200 -0.008 0.000 0.877 449 S HN 0.481 nan 8.310 nan 0.000 0.493 450 L N 3.756 124.988 121.223 0.015 0.000 2.360 450 L HA 0.340 4.680 4.340 0.000 0.000 0.265 450 L C -0.060 176.795 176.870 -0.026 0.000 1.066 450 L CA -0.298 54.531 54.840 -0.017 0.000 0.929 450 L CB 0.519 42.572 42.059 -0.010 0.000 1.306 450 L HN 0.668 nan 8.230 nan 0.000 0.434 451 S N 3.000 118.672 115.700 -0.047 0.000 2.537 451 S HA 0.571 5.041 4.470 0.000 0.000 0.301 451 S C 0.140 174.694 174.600 -0.077 0.000 1.092 451 S CA -0.558 57.605 58.200 -0.062 0.000 1.048 451 S CB 2.125 65.282 63.200 -0.072 0.000 1.053 451 S HN 0.419 nan 8.310 nan 0.000 0.501 452 L N 2.407 123.574 121.223 -0.093 0.000 2.828 452 L HA 0.292 4.632 4.340 0.000 0.000 0.233 452 L C -0.061 176.754 176.870 -0.093 0.000 1.250 452 L CA -0.607 54.184 54.840 -0.082 0.000 1.125 452 L CB -0.303 41.714 42.059 -0.070 0.000 1.432 452 L HN 0.738 nan 8.230 nan 0.000 0.444 453 c N -1.206 117.338 118.600 -0.093 0.000 2.527 453 c HA 0.700 5.270 4.570 0.000 0.000 0.396 453 c C 1.558 175.616 174.090 -0.053 0.000 1.289 453 c CA -0.180 56.094 56.329 -0.091 0.000 2.047 453 c CB 0.038 42.479 42.510 -0.115 0.000 2.568 453 c HN 0.979 nan 8.230 nan 0.000 0.573 454 G N 3.828 112.604 108.800 -0.040 0.000 2.273 454 G HA2 -0.169 3.791 3.960 0.000 0.000 0.280 454 G HA3 -0.169 3.791 3.960 0.000 0.000 0.280 454 G C -0.095 174.955 174.900 0.249 0.000 1.047 454 G CA 0.620 45.703 45.100 -0.028 0.000 0.869 454 G HN 0.813 nan 8.290 nan 0.000 0.502 455 M N -1.662 118.077 119.600 0.231 0.000 2.799 455 M HA 0.710 5.190 4.480 0.000 0.000 0.274 455 M C 1.255 177.725 176.300 0.282 0.000 1.137 455 M CA -0.678 54.763 55.300 0.235 0.000 0.897 455 M CB 1.144 33.801 32.600 0.095 0.000 1.567 455 M HN 0.019 nan 8.290 nan 0.000 0.536 456 V N -2.603 117.430 119.914 0.198 0.000 6.981 456 V HA 0.872 4.992 4.120 0.000 0.000 0.267 456 V C 0.005 176.154 176.094 0.091 0.000 1.691 456 V CA 0.371 62.758 62.300 0.145 0.000 0.587 456 V CB 0.462 32.383 31.823 0.164 0.000 1.625 456 V HN 0.960 nan 8.190 nan 0.000 0.354 457 W N -2.183 119.169 121.300 0.086 0.000 2.860 457 W HA 0.634 5.294 4.660 0.000 0.000 0.431 457 W C -0.129 176.431 176.519 0.068 0.000 0.747 457 W CA 0.112 57.500 57.345 0.072 0.000 1.096 457 W CB -0.516 28.992 29.460 0.080 0.000 1.425 457 W HN 0.835 nan 8.180 nan 0.000 0.590 463 T N 1.111 115.552 114.554 -0.187 0.000 2.899 463 T HA 0.443 4.793 4.350 0.000 0.000 0.284 463 T C 0.183 174.987 174.700 0.173 0.000 1.004 463 T CA -0.399 61.684 62.100 -0.029 0.000 1.043 463 T CB 1.387 70.227 68.868 -0.048 0.000 1.013 463 T HN 0.195 nan 8.240 nan 0.000 0.518 464 D N -0.174 120.322 120.400 0.161 0.000 2.362 464 D HA 0.094 4.734 4.640 0.000 0.000 0.238 464 D C 0.545 176.976 176.300 0.219 0.000 1.212 464 D CA 0.336 54.399 54.000 0.106 0.000 0.902 464 D CB -0.012 40.838 40.800 0.083 0.000 1.180 464 D HN 0.747 nan 8.370 nan 0.000 0.445 465 Y N -1.766 118.448 120.300 -0.143 0.000 4.893 465 Y HA -0.343 4.207 4.550 0.000 0.000 0.257 465 Y C 1.486 177.169 175.900 -0.362 0.000 0.958 465 Y CA 1.493 59.426 58.100 -0.279 0.000 1.897 465 Y CB -1.783 36.523 38.460 -0.256 0.000 1.352 465 Y HN 0.595 nan 8.280 nan 0.000 0.499 466 H N -1.008 118.011 119.070 -0.084 0.000 2.465 466 H HA 0.093 4.649 4.556 0.000 0.000 0.289 466 H C 1.774 176.994 175.328 -0.181 0.000 1.022 466 H CA 1.407 57.395 56.048 -0.099 0.000 1.340 466 H CB 0.051 29.782 29.762 -0.051 0.000 1.437 466 H HN 0.323 nan 8.280 nan 0.000 0.539 467 K N 0.130 120.456 120.400 -0.122 0.000 2.305 467 K HA 0.016 4.336 4.320 0.000 0.000 0.199 467 K C -0.091 176.154 176.600 -0.591 0.000 1.047 467 K CA 0.715 56.866 56.287 -0.226 0.000 0.976 467 K CB 0.471 32.874 32.500 -0.160 0.000 0.765 467 K HN 0.185 nan 8.250 nan 0.000 0.474 468 Q N -0.646 118.676 119.800 -0.796 0.000 3.300 468 Q HA 0.160 4.500 4.340 0.000 0.000 0.271 468 Q C -2.378 172.876 176.000 -1.243 0.000 0.926 468 Q CA -1.408 53.458 55.803 -1.561 0.000 0.788 468 Q CB 1.495 29.543 28.738 -1.151 0.000 1.385 468 Q HN -0.086 nan 8.270 nan 0.000 0.424 469 P HA -0.177 nan 4.420 nan 0.000 0.216 469 P C 0.653 177.818 177.300 -0.226 0.000 1.153 469 P CA 1.048 63.928 63.100 -0.366 0.000 0.848 469 P CB -0.039 31.571 31.700 -0.151 0.000 0.787 470 W N -0.064 121.211 121.300 -0.043 0.000 2.392 470 W HA -0.027 4.633 4.660 0.000 0.000 0.279 470 W C 0.696 177.228 176.519 0.022 0.000 1.225 470 W CA -0.052 57.287 57.345 -0.010 0.000 1.233 470 W CB -2.060 27.378 29.460 -0.037 0.000 1.122 470 W HN -0.119 nan 8.180 nan 0.000 0.561 471 Q N 2.208 121.785 119.800 -0.371 0.000 2.269 471 Q HA 0.314 4.654 4.340 0.000 0.000 0.300 471 Q C -0.452 175.589 176.000 0.068 0.000 1.070 471 Q CA 0.822 56.540 55.803 -0.142 0.000 0.957 471 Q CB 0.583 29.069 28.738 -0.421 0.000 1.131 471 Q HN 0.311 nan 8.270 nan 0.000 0.377 472 A N 4.703 127.602 122.820 0.132 0.000 2.365 472 A HA 0.642 4.962 4.320 0.000 0.000 0.318 472 A C -1.125 176.546 177.584 0.145 0.000 1.091 472 A CA -0.798 51.331 52.037 0.154 0.000 0.763 472 A CB 1.273 20.360 19.000 0.145 0.000 1.248 472 A HN 0.680 nan 8.150 nan 0.000 0.442 473 K N 2.813 123.301 120.400 0.146 0.000 2.394 473 K HA 0.641 4.961 4.320 0.000 0.000 0.260 473 K C -1.382 175.283 176.600 0.107 0.000 0.967 473 K CA -0.318 56.044 56.287 0.125 0.000 0.855 473 K CB 0.669 33.252 32.500 0.138 0.000 1.101 473 K HN 0.687 nan 8.250 nan 0.000 0.433 474 I N 2.199 122.834 120.570 0.108 0.000 2.460 474 I HA 0.303 4.473 4.170 0.000 0.000 0.298 474 I C -0.393 175.775 176.117 0.086 0.000 0.989 474 I CA -0.773 60.599 61.300 0.119 0.000 1.173 474 I CB 2.118 40.223 38.000 0.176 0.000 1.338 474 I HN 0.509 nan 8.210 nan 0.000 0.456 475 S N 4.046 119.803 115.700 0.096 0.000 2.571 475 S HA 0.581 5.051 4.470 0.000 0.000 0.284 475 S C -0.760 173.897 174.600 0.095 0.000 1.128 475 S CA -0.616 57.634 58.200 0.084 0.000 0.970 475 S CB 2.311 65.552 63.200 0.069 0.000 1.039 475 S HN 0.281 nan 8.310 nan 0.000 0.485 476 V N 3.831 123.794 119.914 0.082 0.000 2.444 476 V HA 0.499 4.619 4.120 0.000 0.000 0.294 476 V C -0.278 175.874 176.094 0.096 0.000 1.022 476 V CA -0.679 61.674 62.300 0.088 0.000 0.850 476 V CB 1.586 33.442 31.823 0.055 0.000 0.992 476 V HN 0.899 nan 8.190 nan 0.000 0.426 477 I N 5.759 126.381 120.570 0.086 0.000 2.365 477 I HA 0.577 4.747 4.170 0.000 0.000 0.291 477 I C -0.116 176.046 176.117 0.075 0.000 1.004 477 I CA -0.241 61.113 61.300 0.090 0.000 1.311 477 I CB 0.546 38.591 38.000 0.076 0.000 1.401 477 I HN 0.643 nan 8.210 nan 0.000 0.491 478 R N 6.396 126.944 120.500 0.080 0.000 2.744 478 R HA 0.442 4.782 4.340 0.000 0.000 0.279 478 R C -2.581 173.758 176.300 0.065 0.000 0.977 478 R CA -1.821 54.318 56.100 0.066 0.000 0.906 478 R CB 1.342 31.676 30.300 0.056 0.000 1.197 478 R HN 0.395 nan 8.270 nan 0.000 0.463 479 P HA 0.017 nan 4.420 nan 0.000 0.257 479 P C -0.381 176.948 177.300 0.048 0.000 1.269 479 P CA 0.715 63.848 63.100 0.055 0.000 1.122 479 P CB 0.298 32.030 31.700 0.052 0.000 1.285 480 S N 0.834 116.564 115.700 0.051 0.000 2.829 480 S HA -0.258 4.212 4.470 0.000 0.000 0.267 480 S C 1.499 176.124 174.600 0.042 0.000 1.293 480 S CA 1.917 60.144 58.200 0.046 0.000 1.375 480 S CB -1.220 62.003 63.200 0.037 0.000 1.700 480 S HN 0.472 nan 8.310 nan 0.000 0.668 481 K N 1.964 122.389 120.400 0.041 0.000 2.296 481 K HA 0.336 4.656 4.320 0.000 0.000 0.200 481 K C 1.177 177.791 176.600 0.023 0.000 1.048 481 K CA 1.623 57.929 56.287 0.031 0.000 0.966 481 K CB -0.316 32.203 32.500 0.031 0.000 0.754 481 K HN 0.853 nan 8.250 nan 0.000 0.466 482 G N -0.703 108.123 108.800 0.043 0.000 2.265 482 G HA2 -0.025 3.935 3.960 0.000 0.000 0.246 482 G HA3 -0.025 3.935 3.960 0.000 0.000 0.246 482 G C -1.674 173.280 174.900 0.091 0.000 1.299 482 G CA -0.353 44.770 45.100 0.037 0.000 1.117 482 G HN 0.584 nan 8.290 nan 0.000 0.485 483 H N -1.039 118.046 119.070 0.026 0.000 2.840 483 H HA 0.764 5.320 4.556 0.000 0.000 0.340 483 H C -0.661 174.675 175.328 0.013 0.000 1.004 483 H CA -0.502 55.559 56.048 0.021 0.000 1.288 483 H CB 1.942 31.718 29.762 0.024 0.000 1.607 483 H HN 0.586 nan 8.280 nan 0.000 0.522 484 E N 2.517 122.739 120.200 0.038 0.000 2.257 484 E HA 0.196 4.546 4.350 0.000 0.000 0.278 484 E C -0.594 176.021 176.600 0.024 0.000 1.049 484 E CA -0.227 56.159 56.400 -0.023 0.000 0.876 484 E CB 0.814 30.469 29.700 -0.075 0.000 1.035 484 E HN 0.573 nan 8.360 nan 0.000 0.419 485 S N 4.722 120.438 115.700 0.026 0.000 2.474 485 S HA 0.457 4.927 4.470 0.000 0.000 0.320 485 S C -0.836 173.775 174.600 0.019 0.000 1.067 485 S CA -0.689 57.551 58.200 0.067 0.000 1.127 485 S CB -0.365 62.909 63.200 0.123 0.000 0.971 485 S HN 0.615 nan 8.310 nan 0.000 0.472 486 c N 4.525 123.120 118.600 -0.010 0.000 3.119 486 c HA 0.734 5.304 4.570 0.000 0.000 0.359 486 c C -0.304 173.811 174.090 0.042 0.000 1.486 486 c CA -0.853 55.465 56.329 -0.019 0.000 1.556 486 c CB 1.627 44.051 42.510 -0.143 0.000 2.063 486 c HN 0.807 nan 8.230 nan 0.000 0.454 487 M N 0.343 119.983 119.600 0.066 0.000 2.550 487 M HA 0.615 5.095 4.480 0.000 0.000 0.292 487 M C -0.009 176.371 176.300 0.132 0.000 1.221 487 M CA -0.038 55.325 55.300 0.105 0.000 0.873 487 M CB 2.359 35.025 32.600 0.109 0.000 1.727 487 M HN 0.930 nan 8.290 nan 0.000 0.459 488 G N 0.574 109.465 108.800 0.152 0.000 3.222 488 G HA2 0.943 4.903 3.960 0.000 0.000 0.263 488 G HA3 0.943 4.903 3.960 0.000 0.000 0.263 488 G C -2.035 172.979 174.900 0.190 0.000 1.312 488 G CA -0.688 44.514 45.100 0.171 0.000 0.934 488 G HN 0.868 nan 8.290 nan 0.000 0.577 489 A N -0.810 122.127 122.820 0.196 0.000 2.480 489 A HA 0.575 4.895 4.320 0.000 0.000 0.289 489 A C -0.790 176.918 177.584 0.208 0.000 1.044 489 A CA -0.409 51.770 52.037 0.237 0.000 0.761 489 A CB 1.391 20.527 19.000 0.227 0.000 1.289 489 A HN 1.189 nan 8.150 nan 0.000 0.401 490 V N 3.560 123.610 119.914 0.227 0.000 2.493 490 V HA 0.138 4.258 4.120 0.000 0.000 0.292 490 V C 1.453 177.658 176.094 0.185 0.000 1.016 490 V CA 1.052 63.474 62.300 0.204 0.000 1.097 490 V CB 0.734 32.686 31.823 0.215 0.000 0.947 490 V HN 1.287 nan 8.190 nan 0.000 0.479 491 V N 1.734 121.753 119.914 0.176 0.000 3.604 491 V HA 0.414 4.534 4.120 0.000 0.000 0.277 491 V C 0.582 176.771 176.094 0.159 0.000 1.399 491 V CA 0.805 63.185 62.300 0.134 0.000 1.034 491 V CB 0.092 31.986 31.823 0.120 0.000 0.824 491 V HN 0.870 nan 8.190 nan 0.000 0.439 492 S N -0.617 115.225 115.700 0.236 0.000 2.800 492 S HA 0.419 4.889 4.470 0.000 0.000 0.293 492 S C 0.050 174.835 174.600 0.309 0.000 1.209 492 S CA -0.113 58.262 58.200 0.292 0.000 0.884 492 S CB 1.308 64.710 63.200 0.338 0.000 1.244 492 S HN 0.143 nan 8.310 nan 0.000 0.540 493 E N -0.475 119.877 120.200 0.253 0.000 2.502 493 E HA 0.183 4.533 4.350 0.000 0.000 0.194 493 E C -0.170 176.199 176.600 -0.384 0.000 1.062 493 E CA 0.599 56.946 56.400 -0.087 0.000 0.867 493 E CB -0.075 29.538 29.700 -0.145 0.000 0.888 493 E HN 0.596 nan 8.360 nan 0.000 0.510 494 Y N -2.113 118.197 120.300 0.016 0.000 2.713 494 Y HA 0.167 4.717 4.550 0.000 0.000 0.265 494 Y C 0.331 176.090 175.900 -0.235 0.000 1.177 494 Y CA -0.527 57.472 58.100 -0.168 0.000 1.144 494 Y CB 0.543 38.814 38.460 -0.314 0.000 1.360 494 Y HN -0.138 nan 8.280 nan 0.000 0.491 495 F N 0.815 120.860 119.950 0.158 0.000 2.375 495 F HA 0.516 5.043 4.527 0.000 0.000 0.333 495 F C -0.103 175.739 175.800 0.070 0.000 1.104 495 F CA -0.881 57.164 58.000 0.075 0.000 1.149 495 F CB 1.050 40.069 39.000 0.031 0.000 1.190 495 F HN -0.461 nan 8.300 nan 0.000 0.533 496 V N 4.634 124.686 119.914 0.229 0.000 2.445 496 V HA 0.189 4.309 4.120 0.000 0.000 0.283 496 V C -0.599 175.598 176.094 0.172 0.000 1.014 496 V CA -0.782 61.623 62.300 0.175 0.000 0.852 496 V CB 1.359 33.258 31.823 0.127 0.000 1.021 496 V HN 0.537 nan 8.190 nan 0.000 0.435 497 L N 4.820 126.148 121.223 0.174 0.000 2.490 497 L HA 0.632 4.972 4.340 0.000 0.000 0.274 497 L C 0.289 177.266 176.870 0.177 0.000 1.201 497 L CA 1.735 56.680 54.840 0.175 0.000 0.869 497 L CB 1.037 43.189 42.059 0.156 0.000 1.123 497 L HN 0.879 nan 8.230 nan 0.000 0.484 498 T N 3.024 117.692 114.554 0.190 0.000 2.693 498 T HA 0.710 5.060 4.350 0.000 0.000 0.304 498 T C -0.773 174.043 174.700 0.194 0.000 1.471 498 T CA -0.133 62.084 62.100 0.194 0.000 0.993 498 T CB 0.486 69.494 68.868 0.232 0.000 1.554 498 T HN 1.009 nan 8.240 nan 0.000 0.496 499 A N 0.314 123.236 122.820 0.170 0.000 2.346 499 A HA 0.700 5.020 4.320 0.000 0.000 0.255 499 A C 1.327 179.013 177.584 0.171 0.000 1.113 499 A CA 0.597 52.725 52.037 0.152 0.000 0.798 499 A CB -0.399 18.625 19.000 0.040 0.000 1.073 499 A HN 1.397 nan 8.150 nan 0.000 0.502 500 A N -1.235 121.680 122.820 0.159 0.000 2.192 500 A HA 0.146 4.466 4.320 0.000 0.000 0.208 500 A C 1.571 179.268 177.584 0.187 0.000 1.220 500 A CA 0.784 52.891 52.037 0.117 0.000 0.900 500 A CB -0.532 18.263 19.000 -0.342 0.000 0.937 500 A HN 1.014 nan 8.150 nan 0.000 0.487 501 H N -1.418 117.807 119.070 0.259 0.000 2.547 501 H HA 0.002 4.558 4.556 0.000 0.000 0.272 501 H C 1.362 176.795 175.328 0.175 0.000 0.989 501 H CA 1.212 57.461 56.048 0.335 0.000 1.214 501 H CB -0.715 29.346 29.762 0.498 0.000 1.389 501 H HN 0.360 nan 8.280 nan 0.000 0.577 502 c N 0.780 119.119 118.600 -0.436 0.000 2.491 502 c HA 0.168 4.738 4.570 0.000 0.000 0.277 502 c C 0.411 174.071 174.090 -0.716 0.000 1.455 502 c CA 0.009 55.954 56.329 -0.640 0.000 1.758 502 c CB -1.607 40.362 42.510 -0.901 0.000 1.745 502 c HN 0.303 nan 8.230 nan 0.000 0.558 503 F N -1.167 118.871 119.950 0.146 0.000 2.640 503 F HA 0.596 5.123 4.527 0.000 0.000 0.324 503 F C 0.193 176.114 175.800 0.200 0.000 1.077 503 F CA -0.616 57.520 58.000 0.227 0.000 0.965 503 F CB 1.035 40.258 39.000 0.371 0.000 1.351 503 F HN -0.315 nan 8.300 nan 0.000 0.487 504 T N -0.865 113.894 114.554 0.341 0.000 2.864 504 T HA 0.400 4.750 4.350 0.000 0.000 0.299 504 T C 0.403 175.139 174.700 0.061 0.000 1.166 504 T CA -0.508 61.660 62.100 0.113 0.000 1.007 504 T CB 1.556 70.480 68.868 0.093 0.000 1.219 504 T HN 0.315 nan 8.240 nan 0.000 0.506 505 V N 2.108 121.995 119.914 -0.045 0.000 2.594 505 V HA -0.077 4.043 4.120 0.000 0.000 0.253 505 V C 1.986 178.104 176.094 0.040 0.000 1.069 505 V CA 2.003 64.289 62.300 -0.023 0.000 1.082 505 V CB -0.537 31.259 31.823 -0.045 0.000 0.680 505 V HN 0.766 nan 8.190 nan 0.000 0.469 506 D N -0.464 119.964 120.400 0.046 0.000 2.149 506 D HA -0.048 4.592 4.640 0.000 0.000 0.201 506 D C 0.679 177.016 176.300 0.062 0.000 0.972 506 D CA 0.694 54.725 54.000 0.052 0.000 0.835 506 D CB -0.351 40.477 40.800 0.046 0.000 0.966 506 D HN 0.404 nan 8.370 nan 0.000 0.476 507 D N 2.053 122.504 120.400 0.086 0.000 2.434 507 D HA 0.021 4.661 4.640 0.000 0.000 0.252 507 D C 0.914 177.242 176.300 0.047 0.000 1.185 507 D CA 0.397 54.444 54.000 0.079 0.000 0.886 507 D CB 0.865 41.763 40.800 0.164 0.000 1.148 507 D HN -0.071 nan 8.370 nan 0.000 0.483 508 K N 2.303 122.664 120.400 -0.065 0.000 2.488 508 K HA 0.155 4.475 4.320 0.000 0.000 0.255 508 K C 1.021 177.553 176.600 -0.113 0.000 1.036 508 K CA -0.404 55.828 56.287 -0.092 0.000 0.990 508 K CB 0.403 32.806 32.500 -0.161 0.000 1.304 508 K HN 0.175 nan 8.250 nan 0.000 0.505 509 E N 0.035 120.201 120.200 -0.056 0.000 2.318 509 E HA -0.069 4.281 4.350 0.000 0.000 0.193 509 E C 1.481 178.078 176.600 -0.006 0.000 0.998 509 E CA 0.807 57.196 56.400 -0.018 0.000 0.859 509 E CB -0.238 29.475 29.700 0.023 0.000 0.812 509 E HN 0.590 nan 8.360 nan 0.000 0.492 510 H N -1.408 117.686 119.070 0.041 0.000 2.547 510 H HA 0.162 4.718 4.556 0.000 0.000 0.272 510 H C 1.341 176.699 175.328 0.049 0.000 0.989 510 H CA 1.140 57.210 56.048 0.037 0.000 1.214 510 H CB -0.014 29.767 29.762 0.031 0.000 1.389 510 H HN 0.066 nan 8.280 nan 0.000 0.577 511 S N 0.169 115.676 115.700 -0.322 0.000 2.540 511 S HA 0.262 4.732 4.470 0.000 0.000 0.218 511 S C 0.288 174.886 174.600 -0.003 0.000 0.977 511 S CA -0.618 57.499 58.200 -0.139 0.000 0.918 511 S CB -0.167 62.902 63.200 -0.218 0.000 0.806 511 S HN 0.319 nan 8.310 nan 0.000 0.496 512 I N 2.342 122.925 120.570 0.021 0.000 2.382 512 I HA 0.481 4.651 4.170 0.000 0.000 0.286 512 I C -0.738 175.428 176.117 0.082 0.000 1.002 512 I CA -0.664 60.697 61.300 0.102 0.000 1.135 512 I CB 1.554 39.638 38.000 0.140 0.000 1.288 512 I HN -0.089 nan 8.210 nan 0.000 0.448 513 K N 5.945 126.400 120.400 0.092 0.000 2.270 513 K HA 0.687 5.007 4.320 0.000 0.000 0.255 513 K C -0.984 175.663 176.600 0.077 0.000 0.936 513 K CA -0.790 55.536 56.287 0.066 0.000 0.809 513 K CB 3.049 35.577 32.500 0.048 0.000 1.131 513 K HN 0.247 nan 8.250 nan 0.000 0.427 514 V N 0.994 120.941 119.914 0.055 0.000 2.487 514 V HA 0.393 4.513 4.120 0.000 0.000 0.298 514 V C -0.286 175.824 176.094 0.028 0.000 1.028 514 V CA -0.756 61.580 62.300 0.060 0.000 0.860 514 V CB 1.888 33.748 31.823 0.062 0.000 0.991 514 V HN 0.772 nan 8.190 nan 0.000 0.427 515 S N 3.905 119.623 115.700 0.030 0.000 2.502 515 S HA 0.854 5.324 4.470 0.000 0.000 0.304 515 S C -0.749 173.846 174.600 -0.008 0.000 1.097 515 S CA -0.468 57.726 58.200 -0.009 0.000 1.045 515 S CB 1.420 64.606 63.200 -0.022 0.000 1.019 515 S HN 1.039 nan 8.310 nan 0.000 0.481 516 V N 1.714 121.591 119.914 -0.062 0.000 3.040 516 V HA 0.948 5.068 4.120 0.000 0.000 0.312 516 V C 0.974 176.929 176.094 -0.232 0.000 1.115 516 V CA -0.137 62.126 62.300 -0.062 0.000 0.998 516 V CB 0.701 32.526 31.823 0.003 0.000 1.042 516 V HN 1.561 nan 8.190 nan 0.000 0.433 517 G N 0.459 109.083 108.800 -0.293 0.000 2.166 517 G HA2 0.070 4.030 3.960 0.000 0.000 0.260 517 G HA3 0.070 4.030 3.960 0.000 0.000 0.260 517 G C 1.592 175.978 174.900 -0.856 0.000 0.986 517 G CA 1.001 45.843 45.100 -0.429 0.000 0.683 517 G HN 2.910 nan 8.290 nan 0.000 0.527 518 G N -1.019 106.923 108.800 -1.431 0.000 2.155 518 G HA2 -0.258 3.702 3.960 0.000 0.000 0.257 518 G HA3 -0.258 3.702 3.960 0.000 0.000 0.257 518 G C 0.156 174.785 174.900 -0.452 0.000 0.983 518 G CA 0.964 45.387 45.100 -1.127 0.000 0.676 518 G HN 1.078 nan 8.290 nan 0.000 0.528 519 E N -0.159 119.833 120.200 -0.346 0.000 2.392 519 E HA 0.227 4.577 4.350 0.000 0.000 0.264 519 E C 1.319 177.836 176.600 -0.139 0.000 1.024 519 E CA 0.221 56.505 56.400 -0.194 0.000 0.903 519 E CB 0.847 30.455 29.700 -0.153 0.000 0.963 519 E HN 0.353 nan 8.360 nan 0.000 0.432 520 K N 3.591 123.933 120.400 -0.097 0.000 2.155 520 K HA -0.111 4.209 4.320 0.000 0.000 0.203 520 K C 0.853 177.421 176.600 -0.053 0.000 1.052 520 K CA 0.655 56.902 56.287 -0.066 0.000 0.948 520 K CB 0.178 32.648 32.500 -0.050 0.000 0.728 520 K HN 0.435 nan 8.250 nan 0.000 0.448 521 R N 0.654 121.121 120.500 -0.055 0.000 2.649 521 R HA 0.126 4.466 4.340 0.000 0.000 0.270 521 R C -0.969 175.308 176.300 -0.039 0.000 1.105 521 R CA -0.379 55.696 56.100 -0.042 0.000 1.193 521 R CB 0.359 30.634 30.300 -0.041 0.000 1.120 521 R HN -0.137 nan 8.270 nan 0.000 0.561 522 D N 1.032 121.417 120.400 -0.025 0.000 2.375 522 D HA 0.303 4.943 4.640 0.000 0.000 0.247 522 D C -0.435 175.856 176.300 -0.015 0.000 1.061 522 D CA -0.490 53.501 54.000 -0.015 0.000 0.834 522 D CB 1.608 42.409 40.800 0.001 0.000 1.247 522 D HN 0.364 nan 8.370 nan 0.000 0.489 523 L N 1.624 122.837 121.223 -0.017 0.000 2.349 523 L HA 0.231 4.572 4.340 0.000 0.000 0.275 523 L C 0.867 177.731 176.870 -0.010 0.000 1.115 523 L CA -0.399 54.427 54.840 -0.023 0.000 0.820 523 L CB 0.575 42.613 42.059 -0.035 0.000 1.135 523 L HN 0.152 nan 8.230 nan 0.000 0.445 524 E N 3.961 124.154 120.200 -0.011 0.000 2.259 524 E HA 0.264 4.614 4.350 0.000 0.000 0.281 524 E C -0.216 176.376 176.600 -0.014 0.000 1.037 524 E CA -0.353 56.045 56.400 -0.002 0.000 0.854 524 E CB 1.342 31.044 29.700 0.003 0.000 1.051 524 E HN 0.438 nan 8.360 nan 0.000 0.409 525 I N -0.680 119.881 120.570 -0.015 0.000 2.970 525 I HA 0.230 4.400 4.170 0.000 0.000 0.310 525 I C 0.866 176.960 176.117 -0.039 0.000 1.010 525 I CA -0.380 60.896 61.300 -0.040 0.000 1.228 525 I CB 1.254 39.219 38.000 -0.059 0.000 1.433 525 I HN 0.602 nan 8.210 nan 0.000 0.573 526 E N 1.850 122.011 120.200 -0.065 0.000 2.207 526 E HA 0.239 4.590 4.350 0.000 0.000 0.197 526 E C -0.441 176.127 176.600 -0.054 0.000 0.914 526 E CA 0.214 56.580 56.400 -0.057 0.000 0.914 526 E CB 1.329 30.982 29.700 -0.080 0.000 0.893 526 E HN 0.521 nan 8.360 nan 0.000 0.479 527 V N 1.175 121.039 119.914 -0.082 0.000 2.950 527 V HA 0.292 4.412 4.120 0.000 0.000 0.295 527 V C -1.681 174.344 176.094 -0.115 0.000 1.297 527 V CA -0.812 61.448 62.300 -0.066 0.000 0.962 527 V CB 2.050 33.858 31.823 -0.025 0.000 1.081 527 V HN -0.014 nan 8.190 nan 0.000 0.432 528 V N 7.638 127.452 119.914 -0.166 0.000 2.348 528 V HA 0.442 4.562 4.120 0.000 0.000 0.270 528 V C 0.134 176.039 176.094 -0.315 0.000 1.037 528 V CA -0.370 61.713 62.300 -0.361 0.000 0.872 528 V CB 1.212 32.632 31.823 -0.672 0.000 1.002 528 V HN 0.684 nan 8.190 nan 0.000 0.464 529 L N 6.254 127.372 121.223 -0.176 0.000 2.261 529 L HA 0.480 4.820 4.340 0.000 0.000 0.289 529 L C -0.337 176.567 176.870 0.056 0.000 1.059 529 L CA 0.005 54.879 54.840 0.057 0.000 0.816 529 L CB 0.285 42.470 42.059 0.211 0.000 1.191 529 L HN 0.440 nan 8.230 nan 0.000 0.431 530 F N 1.394 121.440 119.950 0.159 0.000 2.370 530 F HA 0.266 4.793 4.527 0.000 0.000 0.324 530 F C 1.063 176.806 175.800 -0.095 0.000 1.116 530 F CA -0.430 57.581 58.000 0.017 0.000 1.123 530 F CB 0.435 39.415 39.000 -0.033 0.000 1.238 530 F HN 0.397 nan 8.300 nan 0.000 0.536 531 H N 3.334 122.216 119.070 -0.313 0.000 2.803 531 H HA 0.087 4.643 4.556 0.000 0.000 0.330 531 H C -1.793 173.389 175.328 -0.245 0.000 1.057 531 H CA -1.399 54.211 56.048 -0.730 0.000 1.458 531 H CB 1.526 30.861 29.762 -0.712 0.000 1.470 531 H HN 0.263 nan 8.280 nan 0.000 0.560 532 P HA -0.103 nan 4.420 nan 0.000 0.221 532 P C 0.220 177.455 177.300 -0.107 0.000 1.145 532 P CA 1.102 64.055 63.100 -0.244 0.000 0.795 532 P CB 0.385 31.904 31.700 -0.302 0.000 0.775 533 N N -2.661 116.044 118.700 0.008 0.000 2.214 533 N HA 0.035 4.775 4.740 0.000 0.000 0.214 533 N C -0.353 175.268 175.510 0.184 0.000 1.132 533 N CA -0.299 52.769 53.050 0.030 0.000 0.856 533 N CB -0.460 37.823 38.487 -0.340 0.000 1.020 533 N HN 0.209 nan 8.380 nan 0.000 0.509 534 Y N 1.714 122.092 120.300 0.131 0.000 2.436 534 Y HA 0.367 4.917 4.550 0.000 0.000 0.343 534 Y C -0.317 175.642 175.900 0.099 0.000 1.008 534 Y CA -0.373 57.809 58.100 0.137 0.000 1.241 534 Y CB 0.298 38.844 38.460 0.143 0.000 1.153 534 Y HN -0.097 nan 8.280 nan 0.000 0.521 535 N N 7.194 125.659 118.700 -0.391 0.000 2.685 535 N HA 0.071 4.811 4.740 0.000 0.000 0.252 535 N C 0.015 175.332 175.510 -0.322 0.000 1.261 535 N CA -0.296 52.570 53.050 -0.306 0.000 0.768 535 N CB 0.275 38.718 38.487 -0.075 0.000 1.304 535 N HN 0.932 nan 8.380 nan 0.000 0.536 536 I N 1.305 121.533 120.570 -0.571 0.000 2.614 536 I HA -0.035 4.135 4.170 0.000 0.000 0.258 536 I C -0.116 175.877 176.117 -0.207 0.000 1.189 536 I CA 0.958 62.028 61.300 -0.384 0.000 1.462 536 I CB 0.322 38.110 38.000 -0.354 0.000 1.092 536 I HN 0.266 nan 8.210 nan 0.000 0.442 537 N N 1.049 119.643 118.700 -0.176 0.000 2.380 537 N HA 0.207 4.947 4.740 0.000 0.000 0.255 537 N C 0.585 176.003 175.510 -0.153 0.000 1.158 537 N CA 0.209 53.171 53.050 -0.147 0.000 0.878 537 N CB 0.853 39.273 38.487 -0.113 0.000 1.138 537 N HN 0.288 nan 8.380 nan 0.000 0.509 538 G N -0.265 108.425 108.800 -0.182 0.000 3.707 538 G HA2 0.076 4.036 3.960 0.000 0.000 0.286 538 G HA3 0.076 4.036 3.960 0.000 0.000 0.286 538 G C 0.896 175.583 174.900 -0.355 0.000 1.112 538 G CA -0.161 44.806 45.100 -0.222 0.000 0.861 538 G HN -0.054 nan 8.290 nan 0.000 0.534 539 K N -0.040 120.161 120.400 -0.332 0.000 2.603 539 K HA 0.157 4.477 4.320 0.000 0.000 0.202 539 K C 1.446 177.899 176.600 -0.245 0.000 1.279 539 K CA -0.218 55.851 56.287 -0.364 0.000 1.056 539 K CB 0.551 32.748 32.500 -0.506 0.000 1.062 539 K HN 0.188 nan 8.250 nan 0.000 0.606 540 K N 1.159 121.440 120.400 -0.198 0.000 2.209 540 K HA -0.138 4.182 4.320 0.000 0.000 0.204 540 K C 1.694 178.211 176.600 -0.138 0.000 1.048 540 K CA 1.113 57.304 56.287 -0.160 0.000 0.940 540 K CB 0.257 32.678 32.500 -0.132 0.000 0.729 540 K HN 0.233 nan 8.250 nan 0.000 0.451 541 E N 1.000 121.117 120.200 -0.137 0.000 2.077 541 E HA -0.152 4.198 4.350 0.000 0.000 0.193 541 E C 1.511 178.044 176.600 -0.112 0.000 0.989 541 E CA 1.003 57.336 56.400 -0.113 0.000 0.800 541 E CB 0.024 29.659 29.700 -0.108 0.000 0.746 541 E HN 0.301 nan 8.360 nan 0.000 0.452 542 A N -0.140 122.600 122.820 -0.134 0.000 2.238 542 A HA 0.274 4.594 4.320 0.000 0.000 0.208 542 A C 1.457 178.967 177.584 -0.124 0.000 1.177 542 A CA 0.803 52.767 52.037 -0.122 0.000 0.804 542 A CB -0.263 18.657 19.000 -0.133 0.000 0.823 542 A HN 0.452 nan 8.150 nan 0.000 0.482 543 G N -0.613 108.106 108.800 -0.135 0.000 2.149 543 G HA2 -0.198 3.762 3.960 0.000 0.000 0.235 543 G HA3 -0.198 3.762 3.960 0.000 0.000 0.235 543 G C -0.056 174.730 174.900 -0.190 0.000 1.018 543 G CA 0.217 45.233 45.100 -0.140 0.000 0.728 543 G HN 0.548 nan 8.290 nan 0.000 0.508 544 I N 0.341 120.779 120.570 -0.221 0.000 2.388 544 I HA 0.229 4.399 4.170 0.000 0.000 0.281 544 I C -1.167 174.769 176.117 -0.302 0.000 1.046 544 I CA -2.474 58.642 61.300 -0.306 0.000 1.187 544 I CB 1.727 39.569 38.000 -0.263 0.000 1.351 544 I HN -0.144 nan 8.210 nan 0.000 0.472 545 P HA -0.115 nan 4.420 nan 0.000 0.215 545 P C 0.015 177.156 177.300 -0.265 0.000 1.157 545 P CA 1.445 64.393 63.100 -0.254 0.000 0.868 545 P CB 0.243 31.803 31.700 -0.233 0.000 0.788 546 E N -0.968 119.025 120.200 -0.346 0.000 2.191 546 E HA 0.429 4.779 4.350 0.000 0.000 0.274 546 E C -0.993 175.472 176.600 -0.225 0.000 0.948 546 E CA -0.661 55.530 56.400 -0.349 0.000 0.802 546 E CB 1.420 30.967 29.700 -0.254 0.000 1.137 546 E HN -0.037 nan 8.360 nan 0.000 0.397 547 F N 2.326 121.942 119.950 -0.556 0.000 3.228 547 F HA 0.212 4.739 4.527 0.000 0.000 0.390 547 F C -1.089 174.517 175.800 -0.324 0.000 1.235 547 F CA -0.559 57.239 58.000 -0.338 0.000 1.236 547 F CB 0.295 39.153 39.000 -0.237 0.000 1.855 547 F HN 0.341 nan 8.300 nan 0.000 0.647 548 Y N 1.528 121.642 120.300 -0.310 0.000 2.627 548 Y HA 0.153 4.703 4.550 0.000 0.000 0.339 548 Y C 0.748 176.675 175.900 0.044 0.000 1.137 548 Y CA -0.467 57.621 58.100 -0.020 0.000 1.361 548 Y CB -0.541 38.018 38.460 0.164 0.000 1.180 548 Y HN 0.370 nan 8.280 nan 0.000 0.512 549 D N -0.280 119.907 120.400 -0.355 0.000 2.390 549 D HA -0.055 4.585 4.640 0.000 0.000 0.249 549 D C -0.278 175.971 176.300 -0.084 0.000 1.144 549 D CA 0.177 53.960 54.000 -0.361 0.000 0.880 549 D CB 0.235 40.646 40.800 -0.648 0.000 1.182 549 D HN 0.270 nan 8.370 nan 0.000 0.451 550 Y N 1.049 121.188 120.300 -0.268 0.000 3.078 550 Y HA -0.244 4.306 4.550 0.000 0.000 0.202 550 Y C 0.314 176.177 175.900 -0.061 0.000 1.322 550 Y CA 0.540 58.437 58.100 -0.338 0.000 1.118 550 Y CB -1.451 36.687 38.460 -0.537 0.000 1.343 550 Y HN 0.421 nan 8.280 nan 0.000 0.499 551 D N 1.446 121.920 120.400 0.123 0.000 2.713 551 D HA 0.395 5.035 4.640 0.000 0.000 0.229 551 D C -0.262 176.133 176.300 0.159 0.000 1.136 551 D CA 0.197 54.389 54.000 0.321 0.000 1.010 551 D CB -0.370 40.716 40.800 0.476 0.000 1.084 551 D HN 0.211 nan 8.370 nan 0.000 0.495 552 V N -1.176 118.759 119.914 0.036 0.000 3.007 552 V HA 1.026 5.146 4.120 0.000 0.000 0.311 552 V C -0.726 175.351 176.094 -0.028 0.000 1.120 552 V CA -1.100 61.223 62.300 0.037 0.000 0.980 552 V CB 1.563 33.422 31.823 0.060 0.000 1.033 552 V HN 0.276 nan 8.190 nan 0.000 0.429 553 A N 3.086 125.998 122.820 0.154 0.000 2.577 553 A HA 0.797 5.117 4.320 0.000 0.000 0.297 553 A C -1.455 176.279 177.584 0.250 0.000 1.060 553 A CA -0.614 51.520 52.037 0.161 0.000 0.697 553 A CB 1.378 20.244 19.000 -0.224 0.000 1.281 553 A HN 1.059 nan 8.150 nan 0.000 0.402 554 L N 1.631 123.023 121.223 0.283 0.000 2.344 554 L HA 0.650 4.990 4.340 0.000 0.000 0.272 554 L C -0.589 176.313 176.870 0.053 0.000 1.035 554 L CA -0.669 54.279 54.840 0.179 0.000 0.807 554 L CB 1.734 43.883 42.059 0.150 0.000 1.237 554 L HN 0.622 nan 8.230 nan 0.000 0.442 555 I N 2.379 122.993 120.570 0.073 0.000 2.495 555 I HA 0.220 4.390 4.170 0.000 0.000 0.277 555 I C -0.218 175.833 176.117 -0.110 0.000 1.045 555 I CA -0.494 60.766 61.300 -0.068 0.000 1.135 555 I CB 1.426 39.368 38.000 -0.096 0.000 1.241 555 I HN 0.514 nan 8.210 nan 0.000 0.469 556 K N 7.322 127.565 120.400 -0.262 0.000 2.338 556 K HA 0.399 4.719 4.320 0.000 0.000 0.290 556 K C -0.361 176.079 176.600 -0.267 0.000 1.069 556 K CA -0.380 55.559 56.287 -0.581 0.000 0.941 556 K CB 0.607 32.621 32.500 -0.810 0.000 1.023 556 K HN 0.561 nan 8.250 nan 0.000 0.477 557 L N 3.868 124.993 121.223 -0.162 0.000 2.472 557 L HA 0.088 4.428 4.340 0.000 0.000 0.260 557 L C 1.648 178.521 176.870 0.005 0.000 1.209 557 L CA 0.031 54.831 54.840 -0.067 0.000 0.817 557 L CB 0.470 42.483 42.059 -0.076 0.000 1.106 557 L HN 0.719 nan 8.230 nan 0.000 0.479 558 K N 0.327 120.725 120.400 -0.004 0.000 2.262 558 K HA 0.046 4.366 4.320 0.000 0.000 0.200 558 K C 0.025 176.661 176.600 0.059 0.000 1.049 558 K CA 0.453 56.752 56.287 0.020 0.000 0.979 558 K CB 0.331 32.829 32.500 -0.003 0.000 0.773 558 K HN 0.542 nan 8.250 nan 0.000 0.474 559 N N 1.047 119.748 118.700 0.002 0.000 2.335 559 N HA 0.111 4.851 4.740 0.000 0.000 0.304 559 N C -1.442 173.916 175.510 -0.253 0.000 1.135 559 N CA -0.542 52.476 53.050 -0.052 0.000 0.817 559 N CB 1.764 40.206 38.487 -0.076 0.000 1.294 559 N HN -0.018 nan 8.380 nan 0.000 0.497 560 K N 1.282 121.482 120.400 -0.334 0.000 2.298 560 K HA 0.279 4.599 4.320 0.000 0.000 0.280 560 K C -0.627 175.692 176.600 -0.468 0.000 1.032 560 K CA -0.306 55.576 56.287 -0.674 0.000 0.958 560 K CB 0.432 32.681 32.500 -0.418 0.000 0.978 560 K HN 0.446 nan 8.250 nan 0.000 0.472 561 L N 4.599 125.494 121.223 -0.547 0.000 2.281 561 L HA 0.219 4.559 4.340 0.000 0.000 0.285 561 L C -0.193 176.352 176.870 -0.542 0.000 1.074 561 L CA -0.670 53.908 54.840 -0.437 0.000 0.817 561 L CB 0.926 42.764 42.059 -0.370 0.000 1.168 561 L HN 0.470 nan 8.230 nan 0.000 0.434 562 K N 3.692 123.882 120.400 -0.350 0.000 2.273 562 K HA 0.264 4.584 4.320 0.000 0.000 0.287 562 K C -0.885 175.593 176.600 -0.203 0.000 1.089 562 K CA -0.226 55.888 56.287 -0.287 0.000 0.909 562 K CB 0.044 32.453 32.500 -0.152 0.000 1.123 562 K HN 0.124 nan 8.250 nan 0.000 0.473 563 Y N 0.951 121.226 120.300 -0.042 0.000 2.610 563 Y HA 0.298 4.848 4.550 0.000 0.000 0.332 563 Y C 1.450 177.334 175.900 -0.027 0.000 1.201 563 Y CA 0.377 58.460 58.100 -0.029 0.000 1.465 563 Y CB 0.331 38.784 38.460 -0.011 0.000 1.283 563 Y HN 0.697 nan 8.280 nan 0.000 0.563 564 G N 1.175 110.058 108.800 0.138 0.000 3.166 564 G HA2 0.247 4.207 3.960 0.000 0.000 0.267 564 G HA3 0.247 4.207 3.960 0.000 0.000 0.267 564 G C -0.295 174.626 174.900 0.035 0.000 1.256 564 G CA -0.757 44.378 45.100 0.059 0.000 0.859 564 G HN 0.502 nan 8.290 nan 0.000 0.590 565 Q N -0.505 119.302 119.800 0.012 0.000 2.444 565 Q HA 0.077 4.417 4.340 0.000 0.000 0.206 565 Q C 1.720 177.628 176.000 -0.153 0.000 0.948 565 Q CA 1.243 57.055 55.803 0.015 0.000 0.946 565 Q CB 0.309 29.118 28.738 0.119 0.000 1.027 565 Q HN 0.598 nan 8.270 nan 0.000 0.513 566 T N -3.693 110.744 114.554 -0.196 0.000 2.958 566 T HA 0.320 4.670 4.350 0.000 0.000 0.256 566 T C 0.505 175.123 174.700 -0.137 0.000 0.983 566 T CA -0.228 61.686 62.100 -0.310 0.000 0.924 566 T CB 0.424 69.082 68.868 -0.349 0.000 1.136 566 T HN -0.030 nan 8.240 nan 0.000 0.506 567 I N 1.422 121.968 120.570 -0.040 0.000 2.447 567 I HA 0.665 4.835 4.170 0.000 0.000 0.287 567 I C -0.606 175.599 176.117 0.147 0.000 1.023 567 I CA -1.025 60.310 61.300 0.058 0.000 1.083 567 I CB 2.075 40.120 38.000 0.076 0.000 1.245 567 I HN 0.098 nan 8.210 nan 0.000 0.434 568 R N 6.917 127.488 120.500 0.117 0.000 2.633 568 R HA 0.437 4.777 4.340 0.000 0.000 0.255 568 R C -3.019 173.304 176.300 0.040 0.000 1.106 568 R CA -1.158 54.931 56.100 -0.018 0.000 0.959 568 R CB 2.634 32.925 30.300 -0.016 0.000 1.259 568 R HN 0.180 nan 8.270 nan 0.000 0.453 569 P HA 0.157 nan 4.420 nan 0.000 0.272 569 P C -0.853 176.463 177.300 0.026 0.000 1.254 569 P CA -0.277 62.814 63.100 -0.014 0.000 0.795 569 P CB 0.554 32.175 31.700 -0.131 0.000 1.022 570 I N -0.472 120.088 120.570 -0.016 0.000 2.647 570 I HA 0.291 4.461 4.170 0.000 0.000 0.295 570 I C -0.827 175.203 176.117 -0.144 0.000 1.078 570 I CA -1.148 60.062 61.300 -0.151 0.000 1.048 570 I CB 1.320 39.121 38.000 -0.331 0.000 1.239 570 I HN 0.292 nan 8.210 nan 0.000 0.421 571 c N 7.086 125.585 118.600 -0.169 0.000 2.596 571 c HA 0.232 4.802 4.570 0.000 0.000 0.414 571 c C 0.330 174.331 174.090 -0.148 0.000 1.396 571 c CA -0.252 55.986 56.329 -0.153 0.000 1.698 571 c CB -1.181 41.242 42.510 -0.145 0.000 2.572 571 c HN 0.448 nan 8.230 nan 0.000 0.604 572 L N 5.520 126.650 121.223 -0.155 0.000 2.331 572 L HA 0.420 4.760 4.340 0.000 0.000 0.275 572 L C -2.128 174.634 176.870 -0.179 0.000 1.022 572 L CA -1.843 52.915 54.840 -0.136 0.000 0.812 572 L CB 1.187 43.213 42.059 -0.056 0.000 1.257 572 L HN 0.317 nan 8.230 nan 0.000 0.435 573 P HA -0.040 nan 4.420 nan 0.000 0.266 573 P C -0.353 176.836 177.300 -0.184 0.000 1.193 573 P CA -0.163 62.718 63.100 -0.364 0.000 0.770 573 P CB 0.260 31.307 31.700 -1.088 0.000 0.836 574 c N 0.891 119.449 118.600 -0.070 0.000 4.067 574 c HA -0.068 4.502 4.570 0.000 0.000 0.305 574 c C 0.588 174.643 174.090 -0.058 0.000 1.305 574 c CA 1.073 57.415 56.329 0.022 0.000 2.111 574 c CB -3.120 39.454 42.510 0.107 0.000 1.339 574 c HN 0.840 nan 8.230 nan 0.000 0.668 575 T N -3.850 110.609 114.554 -0.158 0.000 2.909 575 T HA 0.544 4.894 4.350 0.000 0.000 0.299 575 T C 0.640 175.239 174.700 -0.169 0.000 1.073 575 T CA -0.579 61.349 62.100 -0.287 0.000 0.999 575 T CB 1.528 70.106 68.868 -0.485 0.000 1.098 575 T HN 0.381 nan 8.240 nan 0.000 0.477 576 E N 1.259 121.368 120.200 -0.151 0.000 2.265 576 E HA -0.048 4.302 4.350 0.000 0.000 0.196 576 E C 2.074 178.617 176.600 -0.096 0.000 0.996 576 E CA 1.094 57.438 56.400 -0.093 0.000 0.832 576 E CB -0.334 29.324 29.700 -0.069 0.000 0.756 576 E HN 0.877 nan 8.360 nan 0.000 0.491 577 G N 0.526 109.247 108.800 -0.132 0.000 2.408 577 G HA2 -0.182 3.778 3.960 0.000 0.000 0.215 577 G HA3 -0.182 3.778 3.960 0.000 0.000 0.215 577 G C 1.609 176.443 174.900 -0.111 0.000 1.156 577 G CA 0.831 45.861 45.100 -0.118 0.000 0.793 577 G HN 0.155 nan 8.290 nan 0.000 0.535 578 T N 1.015 115.495 114.554 -0.123 0.000 2.904 578 T HA -0.056 4.294 4.350 0.000 0.000 0.267 578 T C 2.653 177.309 174.700 -0.074 0.000 1.059 578 T CA 1.567 63.606 62.100 -0.102 0.000 1.137 578 T CB -0.338 68.468 68.868 -0.104 0.000 0.879 578 T HN 0.251 nan 8.240 nan 0.000 0.467 579 T N 2.121 116.636 114.554 -0.064 0.000 2.720 579 T HA -0.104 4.246 4.350 0.000 0.000 0.268 579 T C 2.111 176.782 174.700 -0.048 0.000 1.037 579 T CA 1.090 63.164 62.100 -0.043 0.000 1.144 579 T CB -0.153 68.695 68.868 -0.034 0.000 0.864 579 T HN 0.399 nan 8.240 nan 0.000 0.444 580 R N 0.854 121.320 120.500 -0.057 0.000 2.115 580 R HA 0.175 4.515 4.340 0.000 0.000 0.226 580 R C 2.837 179.095 176.300 -0.071 0.000 1.100 580 R CA 0.985 57.050 56.100 -0.059 0.000 0.980 580 R CB -0.379 29.884 30.300 -0.061 0.000 0.875 580 R HN 0.348 nan 8.270 nan 0.000 0.445 581 A N 1.276 124.048 122.820 -0.081 0.000 1.933 581 A HA -0.093 4.228 4.320 0.000 0.000 0.218 581 A C 1.976 179.502 177.584 -0.097 0.000 1.175 581 A CA 1.121 53.100 52.037 -0.096 0.000 0.628 581 A CB -0.369 18.567 19.000 -0.108 0.000 0.814 581 A HN 0.188 nan 8.150 nan 0.000 0.444 582 L N -1.773 119.403 121.223 -0.079 0.000 2.591 582 L HA 0.088 4.428 4.340 0.000 0.000 0.228 582 L C 0.600 177.434 176.870 -0.059 0.000 1.133 582 L CA 0.138 54.936 54.840 -0.070 0.000 0.880 582 L CB -0.200 41.829 42.059 -0.051 0.000 1.033 582 L HN 0.410 nan 8.230 nan 0.000 0.450 583 R N -0.530 119.935 120.500 -0.058 0.000 3.770 583 R HA -0.165 4.175 4.340 0.000 0.000 0.305 583 R C -0.309 175.968 176.300 -0.038 0.000 1.184 583 R CA 0.406 56.477 56.100 -0.049 0.000 0.823 583 R CB -2.485 27.784 30.300 -0.051 0.000 1.285 583 R HN 0.311 nan 8.270 nan 0.000 0.499 584 L N 0.793 121.996 121.223 -0.034 0.000 2.379 584 L HA 0.450 4.790 4.340 0.000 0.000 0.269 584 L C -1.673 175.186 176.870 -0.017 0.000 1.084 584 L CA -2.364 52.461 54.840 -0.025 0.000 0.802 584 L CB 0.510 42.556 42.059 -0.021 0.000 1.175 584 L HN -0.268 nan 8.230 nan 0.000 0.448 585 P HA 0.034 nan 4.420 nan 0.000 0.266 585 P C -2.130 175.170 177.300 -0.001 0.000 1.193 585 P CA -0.848 62.251 63.100 -0.003 0.000 0.770 585 P CB 0.001 31.702 31.700 0.001 0.000 0.836 586 P HA -0.126 nan 4.420 nan 0.000 0.221 586 P C 0.883 178.187 177.300 0.007 0.000 1.145 586 P CA 1.519 64.620 63.100 0.002 0.000 0.795 586 P CB -0.479 31.224 31.700 0.005 0.000 0.775 587 T N -5.014 109.545 114.554 0.009 0.000 3.380 587 T HA 0.087 4.437 4.350 0.000 0.000 0.250 587 T C 0.476 175.184 174.700 0.014 0.000 1.082 587 T CA -0.124 61.984 62.100 0.013 0.000 0.968 587 T CB -1.330 67.546 68.868 0.014 0.000 1.027 587 T HN -0.092 nan 8.240 nan 0.000 0.575 588 T N 4.008 118.569 114.554 0.011 0.000 2.761 588 T HA 0.381 4.731 4.350 0.000 0.000 0.296 588 T C 0.797 175.512 174.700 0.025 0.000 0.934 588 T CA -0.400 61.709 62.100 0.014 0.000 1.091 588 T CB 0.909 69.782 68.868 0.009 0.000 0.896 588 T HN 0.654 nan 8.240 nan 0.000 0.515 589 T N -0.085 114.487 114.554 0.031 0.000 2.849 589 T HA 0.103 4.453 4.350 0.000 0.000 0.284 589 T C 1.845 176.583 174.700 0.064 0.000 1.004 589 T CA -0.879 61.248 62.100 0.045 0.000 1.021 589 T CB 0.684 69.577 68.868 0.042 0.000 1.013 589 T HN 0.709 nan 8.240 nan 0.000 0.527 590 c N 0.999 119.651 118.600 0.086 0.000 2.413 590 c HA -0.085 4.485 4.570 0.000 0.000 0.277 590 c C 2.780 176.956 174.090 0.144 0.000 1.265 590 c CA 1.617 58.027 56.329 0.135 0.000 1.752 590 c CB -1.619 40.981 42.510 0.149 0.000 1.998 590 c HN 1.072 nan 8.230 nan 0.000 0.489 591 Q N 0.536 120.389 119.800 0.089 0.000 2.170 591 Q HA -0.171 4.169 4.340 0.000 0.000 0.203 591 Q C 2.224 178.231 176.000 0.013 0.000 0.976 591 Q CA 1.920 57.752 55.803 0.047 0.000 0.858 591 Q CB -0.441 28.318 28.738 0.036 0.000 0.907 591 Q HN 0.787 nan 8.270 nan 0.000 0.433 592 Q N -0.596 119.219 119.800 0.025 0.000 2.119 592 Q HA -0.171 4.169 4.340 0.000 0.000 0.201 592 Q C 2.169 178.171 176.000 0.003 0.000 0.972 592 Q CA 1.446 57.252 55.803 0.006 0.000 0.847 592 Q CB -0.041 28.703 28.738 0.010 0.000 0.903 592 Q HN 0.549 nan 8.270 nan 0.000 0.433 593 Q N 0.695 120.525 119.800 0.050 0.000 2.119 593 Q HA -0.153 4.187 4.340 0.000 0.000 0.201 593 Q C 1.955 177.966 176.000 0.018 0.000 0.972 593 Q CA 0.969 56.825 55.803 0.088 0.000 0.847 593 Q CB -0.093 28.761 28.738 0.193 0.000 0.903 593 Q HN 0.204 nan 8.270 nan 0.000 0.433 594 K N 1.159 121.478 120.400 -0.135 0.000 2.211 594 K HA -0.166 4.154 4.320 0.000 0.000 0.203 594 K C 1.455 177.839 176.600 -0.361 0.000 1.050 594 K CA 1.128 57.018 56.287 -0.661 0.000 0.945 594 K CB 0.197 32.239 32.500 -0.763 0.000 0.732 594 K HN 0.207 nan 8.250 nan 0.000 0.451 595 E N -0.204 119.888 120.200 -0.179 0.000 2.285 595 E HA -0.158 4.192 4.350 0.000 0.000 0.194 595 E C 1.617 178.162 176.600 -0.091 0.000 0.997 595 E CA 0.729 57.058 56.400 -0.118 0.000 0.845 595 E CB 0.231 29.888 29.700 -0.073 0.000 0.782 595 E HN 0.282 nan 8.360 nan 0.000 0.491 596 E N 0.975 121.129 120.200 -0.076 0.000 2.075 596 E HA -0.027 4.323 4.350 0.000 0.000 0.190 596 E C 1.825 178.395 176.600 -0.050 0.000 0.969 596 E CA 0.663 57.032 56.400 -0.051 0.000 0.815 596 E CB 0.008 29.689 29.700 -0.031 0.000 0.776 596 E HN 0.139 nan 8.360 nan 0.000 0.457 597 L N -0.269 120.928 121.223 -0.042 0.000 2.162 597 L HA 0.135 4.475 4.340 0.000 0.000 0.205 597 L C 0.681 177.521 176.870 -0.050 0.000 1.086 597 L CA 0.537 55.370 54.840 -0.012 0.000 0.778 597 L CB 0.091 42.217 42.059 0.111 0.000 0.928 597 L HN 0.080 nan 8.230 nan 0.000 0.446 598 L N 0.623 121.768 121.223 -0.130 0.000 2.556 598 L HA 0.366 4.706 4.340 0.000 0.000 0.243 598 L C -2.394 174.405 176.870 -0.119 0.000 1.331 598 L CA -1.665 53.099 54.840 -0.127 0.000 0.927 598 L CB 0.559 42.504 42.059 -0.191 0.000 1.219 598 L HN -0.114 nan 8.230 nan 0.000 0.490 599 P HA 0.080 nan 4.420 nan 0.000 0.274 599 P C 0.115 177.389 177.300 -0.043 0.000 1.260 599 P CA -0.379 62.685 63.100 -0.059 0.000 0.793 599 P CB 0.811 32.486 31.700 -0.043 0.000 1.048 600 A N 0.567 123.367 122.820 -0.033 0.000 3.135 600 A HA 0.217 4.538 4.320 0.000 0.000 0.253 600 A C 0.434 178.008 177.584 -0.018 0.000 1.638 600 A CA 0.148 52.171 52.037 -0.023 0.000 1.295 600 A CB -1.316 17.672 19.000 -0.019 0.000 1.106 600 A HN 0.545 nan 8.150 nan 0.000 0.648 601 Q N -1.255 118.538 119.800 -0.011 0.000 2.943 601 Q HA 0.394 4.734 4.340 0.000 0.000 0.341 601 Q C -1.701 174.309 176.000 0.017 0.000 0.858 601 Q CA -1.053 54.748 55.803 -0.003 0.000 0.804 601 Q CB 0.496 29.233 28.738 -0.002 0.000 1.399 601 Q HN 0.069 nan 8.270 nan 0.000 0.511 602 D N 1.550 121.970 120.400 0.033 0.000 2.483 602 D HA 0.334 4.974 4.640 0.000 0.000 0.220 602 D C -0.225 176.169 176.300 0.157 0.000 1.173 602 D CA 0.020 54.070 54.000 0.084 0.000 0.964 602 D CB -0.190 40.636 40.800 0.044 0.000 1.046 602 D HN 0.327 nan 8.370 nan 0.000 0.517 603 I N 0.869 121.500 120.570 0.101 0.000 2.752 603 I HA -0.059 4.111 4.170 0.000 0.000 0.287 603 I C 1.149 177.286 176.117 0.033 0.000 1.188 603 I CA 0.257 61.586 61.300 0.048 0.000 1.427 603 I CB 0.540 38.542 38.000 0.003 0.000 1.365 603 I HN -0.040 nan 8.210 nan 0.000 0.585 604 K N 5.777 126.113 120.400 -0.108 0.000 2.299 604 K HA 0.645 4.965 4.320 0.000 0.000 0.268 604 K C -0.728 175.711 176.600 -0.270 0.000 1.075 604 K CA -0.292 55.768 56.287 -0.379 0.000 0.936 604 K CB 0.854 33.110 32.500 -0.406 0.000 1.228 604 K HN 0.797 nan 8.250 nan 0.000 0.454 605 A N 3.370 126.038 122.820 -0.254 0.000 2.578 605 A HA 0.862 5.182 4.320 0.000 0.000 0.255 605 A C -1.424 176.097 177.584 -0.105 0.000 1.251 605 A CA -0.753 51.206 52.037 -0.130 0.000 0.882 605 A CB 0.652 19.604 19.000 -0.080 0.000 1.416 605 A HN 0.603 nan 8.150 nan 0.000 0.462 606 L N -3.437 117.782 121.223 -0.007 0.000 2.869 606 L HA 0.879 5.219 4.340 0.000 0.000 0.265 606 L C -0.834 176.125 176.870 0.149 0.000 1.011 606 L CA -0.766 54.089 54.840 0.024 0.000 0.913 606 L CB 0.845 42.879 42.059 -0.041 0.000 1.490 606 L HN 1.098 nan 8.230 nan 0.000 0.410 607 F N -1.355 118.598 119.950 0.004 0.000 2.643 607 F HA 0.960 5.487 4.527 0.000 0.000 0.314 607 F C -1.100 174.728 175.800 0.047 0.000 1.096 607 F CA -1.500 56.520 58.000 0.033 0.000 0.953 607 F CB 1.504 40.517 39.000 0.023 0.000 1.345 607 F HN 0.315 nan 8.300 nan 0.000 0.468 608 V N 2.012 122.037 119.914 0.184 0.000 2.407 608 V HA 0.552 4.672 4.120 0.000 0.000 0.278 608 V C -0.133 176.024 176.094 0.105 0.000 1.037 608 V CA -0.243 62.077 62.300 0.032 0.000 0.900 608 V CB 0.762 32.605 31.823 0.033 0.000 0.983 608 V HN 0.919 nan 8.190 nan 0.000 0.459 609 S N 3.495 119.176 115.700 -0.031 0.000 2.568 609 S HA 0.542 5.012 4.470 0.000 0.000 0.302 609 S C -0.680 173.916 174.600 -0.006 0.000 1.082 609 S CA -0.685 57.549 58.200 0.056 0.000 1.009 609 S CB 1.709 64.938 63.200 0.049 0.000 1.069 609 S HN 0.866 nan 8.310 nan 0.000 0.500 610 E N 1.948 122.164 120.200 0.027 0.000 2.114 610 E HA 0.348 4.699 4.350 0.000 0.000 0.266 610 E C -1.334 175.274 176.600 0.014 0.000 0.896 610 E CA -0.393 56.009 56.400 0.004 0.000 0.750 610 E CB 0.898 30.610 29.700 0.020 0.000 1.121 610 E HN 0.489 nan 8.360 nan 0.000 0.413 611 E N 4.097 124.294 120.200 -0.004 0.000 2.185 611 E HA 0.134 4.484 4.350 0.000 0.000 0.261 611 E C -1.141 175.461 176.600 0.002 0.000 0.879 611 E CA -0.343 56.059 56.400 0.003 0.000 0.756 611 E CB 0.720 30.416 29.700 -0.006 0.000 1.152 611 E HN 0.562 nan 8.360 nan 0.000 0.416 612 E N 4.068 124.275 120.200 0.012 0.000 2.271 612 E HA -0.290 4.060 4.350 0.000 0.000 0.223 612 E C -0.633 175.975 176.600 0.013 0.000 1.223 612 E CA 0.812 57.220 56.400 0.012 0.000 0.704 612 E CB -1.048 28.656 29.700 0.006 0.000 1.194 612 E HN 0.782 nan 8.360 nan 0.000 0.375 613 K N -1.245 119.167 120.400 0.020 0.000 3.088 613 K HA -0.255 4.065 4.320 0.000 0.000 0.273 613 K C -0.503 176.110 176.600 0.022 0.000 1.111 613 K CA 1.365 57.668 56.287 0.027 0.000 0.803 613 K CB -0.827 31.690 32.500 0.028 0.000 1.226 613 K HN 0.309 nan 8.250 nan 0.000 0.485 614 K N 0.786 121.187 120.400 0.000 0.000 2.507 614 K HA 0.378 4.698 4.320 0.000 0.000 0.251 614 K C -0.243 176.320 176.600 -0.060 0.000 0.943 614 K CA -0.739 55.535 56.287 -0.021 0.000 0.794 614 K CB 1.711 34.199 32.500 -0.019 0.000 1.188 614 K HN -0.025 nan 8.250 nan 0.000 0.428 615 L N 1.834 122.987 121.223 -0.117 0.000 2.416 615 L HA 0.258 4.598 4.340 0.000 0.000 0.272 615 L C 0.533 177.316 176.870 -0.145 0.000 1.161 615 L CA 0.302 55.037 54.840 -0.175 0.000 0.845 615 L CB 0.900 42.758 42.059 -0.335 0.000 1.119 615 L HN 0.641 nan 8.230 nan 0.000 0.464 616 T N 3.085 117.556 114.554 -0.137 0.000 2.923 616 T HA 0.432 4.782 4.350 0.000 0.000 0.311 616 T C -0.569 174.029 174.700 -0.170 0.000 1.183 616 T CA -0.797 61.223 62.100 -0.133 0.000 1.020 616 T CB 1.193 69.998 68.868 -0.105 0.000 1.165 616 T HN 0.559 nan 8.240 nan 0.000 0.482 617 R N 2.632 123.031 120.500 -0.168 0.000 2.459 617 R HA 0.560 4.900 4.340 0.000 0.000 0.281 617 R C -0.454 175.671 176.300 -0.292 0.000 1.050 617 R CA -0.946 55.029 56.100 -0.207 0.000 1.055 617 R CB 0.691 30.917 30.300 -0.124 0.000 1.045 617 R HN 0.299 nan 8.270 nan 0.000 0.495 618 K N 2.944 123.052 120.400 -0.486 0.000 2.572 618 K HA 0.177 4.497 4.320 0.000 0.000 0.244 618 K C -0.821 175.547 176.600 -0.386 0.000 0.965 618 K CA -0.368 55.595 56.287 -0.540 0.000 0.943 618 K CB 1.723 33.623 32.500 -1.001 0.000 1.154 618 K HN 0.587 nan 8.250 nan 0.000 0.447 619 E N 2.016 122.091 120.200 -0.209 0.000 2.324 619 E HA 0.173 4.523 4.350 0.000 0.000 0.271 619 E C 0.480 177.012 176.600 -0.112 0.000 1.028 619 E CA -0.276 56.023 56.400 -0.169 0.000 0.890 619 E CB 0.857 30.452 29.700 -0.175 0.000 1.004 619 E HN 0.361 nan 8.360 nan 0.000 0.431 620 V N 0.859 120.704 119.914 -0.116 0.000 3.119 620 V HA 0.581 4.701 4.120 0.000 0.000 0.311 620 V C -1.289 174.667 176.094 -0.230 0.000 1.259 620 V CA -1.008 61.284 62.300 -0.013 0.000 1.067 620 V CB 1.137 33.062 31.823 0.171 0.000 1.123 620 V HN 0.521 nan 8.190 nan 0.000 0.463 621 Y N -0.120 120.205 120.300 0.042 0.000 2.391 621 Y HA 0.682 5.232 4.550 0.000 0.000 0.341 621 Y C 0.021 175.924 175.900 0.005 0.000 0.965 621 Y CA -0.673 57.439 58.100 0.020 0.000 1.067 621 Y CB 1.971 40.457 38.460 0.043 0.000 1.199 621 Y HN 0.519 nan 8.280 nan 0.000 0.450 622 I N 5.047 125.687 120.570 0.117 0.000 2.337 622 I HA 0.160 4.330 4.170 0.000 0.000 0.291 622 I C -0.254 175.903 176.117 0.066 0.000 1.046 622 I CA -0.815 60.522 61.300 0.062 0.000 1.324 622 I CB 0.522 38.537 38.000 0.025 0.000 1.409 622 I HN 0.366 nan 8.210 nan 0.000 0.494 623 K N 5.606 126.027 120.400 0.035 0.000 2.083 623 K HA 0.050 4.370 4.320 0.000 0.000 0.246 623 K C 0.346 176.957 176.600 0.018 0.000 1.160 623 K CA 0.125 56.422 56.287 0.018 0.000 1.060 623 K CB -0.348 32.144 32.500 -0.014 0.000 1.417 623 K HN 0.448 nan 8.250 nan 0.000 0.329 624 N N 0.835 119.548 118.700 0.021 0.000 2.184 624 N HA 0.043 4.783 4.740 0.000 0.000 0.206 624 N C 0.679 176.192 175.510 0.006 0.000 1.151 624 N CA 0.001 53.060 53.050 0.015 0.000 0.878 624 N CB 0.693 39.184 38.487 0.007 0.000 1.014 624 N HN 0.469 nan 8.380 nan 0.000 0.512 625 G N 0.128 108.930 108.800 0.003 0.000 2.975 625 G HA2 0.007 3.967 3.960 0.000 0.000 0.159 625 G HA3 0.007 3.967 3.960 0.000 0.000 0.159 625 G C 0.467 175.363 174.900 -0.007 0.000 1.525 625 G CA 0.386 45.482 45.100 -0.007 0.000 1.075 625 G HN 0.349 nan 8.290 nan 0.000 0.574 626 D N -0.723 119.667 120.400 -0.017 0.000 2.355 626 D HA -0.010 4.630 4.640 0.000 0.000 0.218 626 D C 1.428 177.722 176.300 -0.010 0.000 1.004 626 D CA 0.521 54.513 54.000 -0.014 0.000 0.880 626 D CB 0.062 40.847 40.800 -0.025 0.000 0.911 626 D HN 0.397 nan 8.370 nan 0.000 0.528 627 K N 0.154 120.547 120.400 -0.012 0.000 2.437 627 K HA 0.087 4.407 4.320 0.000 0.000 0.198 627 K C 1.626 178.225 176.600 -0.003 0.000 1.024 627 K CA -0.165 56.114 56.287 -0.012 0.000 1.148 627 K CB 0.489 32.974 32.500 -0.026 0.000 0.860 627 K HN 0.065 nan 8.250 nan 0.000 0.515 628 K N 1.077 121.481 120.400 0.007 0.000 2.025 628 K HA -0.106 4.214 4.320 0.000 0.000 0.207 628 K C 2.032 178.652 176.600 0.034 0.000 1.049 628 K CA 1.509 57.808 56.287 0.020 0.000 0.933 628 K CB -0.171 32.346 32.500 0.029 0.000 0.714 628 K HN 0.227 nan 8.250 nan 0.000 0.438 629 G N 0.113 108.933 108.800 0.034 0.000 2.422 629 G HA2 -0.218 3.742 3.960 0.000 0.000 0.218 629 G HA3 -0.218 3.742 3.960 0.000 0.000 0.218 629 G C 1.448 176.377 174.900 0.047 0.000 1.146 629 G CA 1.037 46.163 45.100 0.044 0.000 0.769 629 G HN 0.340 nan 8.290 nan 0.000 0.547 630 S N -0.637 115.082 115.700 0.032 0.000 2.382 630 S HA -0.170 4.300 4.470 0.000 0.000 0.228 630 S C 2.240 176.864 174.600 0.039 0.000 1.027 630 S CA 1.087 59.307 58.200 0.034 0.000 0.991 630 S CB -0.472 62.736 63.200 0.013 0.000 0.823 630 S HN 0.528 nan 8.310 nan 0.000 0.469 631 c N 1.823 120.433 118.600 0.016 0.000 2.485 631 c HA 0.120 4.690 4.570 0.000 0.000 0.277 631 c C 2.406 176.516 174.090 0.033 0.000 1.376 631 c CA 0.239 56.552 56.329 -0.027 0.000 1.759 631 c CB -1.113 41.341 42.510 -0.094 0.000 1.970 631 c HN 0.565 nan 8.230 nan 0.000 0.509 632 E N 0.110 120.380 120.200 0.118 0.000 2.051 632 E HA -0.082 4.268 4.350 0.000 0.000 0.189 632 E C 2.266 178.994 176.600 0.212 0.000 0.979 632 E CA 0.703 57.254 56.400 0.252 0.000 0.803 632 E CB -0.174 29.635 29.700 0.182 0.000 0.761 632 E HN 0.569 nan 8.360 nan 0.000 0.451 633 R N 1.053 121.636 120.500 0.137 0.000 2.293 633 R HA -0.102 4.238 4.340 0.000 0.000 0.219 633 R C 0.764 177.161 176.300 0.162 0.000 1.091 633 R CA 0.813 56.981 56.100 0.112 0.000 1.004 633 R CB -0.045 30.305 30.300 0.082 0.000 0.865 633 R HN 0.111 nan 8.270 nan 0.000 0.469 634 D N 0.294 120.833 120.400 0.230 0.000 2.352 634 D HA 0.004 4.644 4.640 0.000 0.000 0.232 634 D C 1.094 177.629 176.300 0.392 0.000 1.055 634 D CA 0.357 54.570 54.000 0.354 0.000 0.891 634 D CB 0.265 41.217 40.800 0.254 0.000 0.897 634 D HN 0.202 nan 8.370 nan 0.000 0.529 635 A N 0.697 123.690 122.820 0.288 0.000 2.238 635 A HA -0.102 4.218 4.320 0.000 0.000 0.208 635 A C 1.989 179.623 177.584 0.083 0.000 1.177 635 A CA 0.290 52.451 52.037 0.206 0.000 0.804 635 A CB -0.372 18.628 19.000 -0.001 0.000 0.823 635 A HN 0.321 nan 8.150 nan 0.000 0.482 636 Q N -1.674 118.163 119.800 0.061 0.000 2.245 636 Q HA -0.111 4.229 4.340 0.000 0.000 0.201 636 Q C 1.029 176.964 176.000 -0.108 0.000 0.955 636 Q CA 1.214 56.974 55.803 -0.071 0.000 0.870 636 Q CB -0.599 27.998 28.738 -0.236 0.000 0.945 636 Q HN 0.682 nan 8.270 nan 0.000 0.461 637 Y N 1.549 121.872 120.300 0.039 0.000 2.583 637 Y HA 0.249 4.799 4.550 0.000 0.000 0.293 637 Y C 1.246 177.228 175.900 0.137 0.000 1.157 637 Y CA -0.009 58.100 58.100 0.015 0.000 1.315 637 Y CB -0.064 38.293 38.460 -0.172 0.000 1.021 637 Y HN 0.173 nan 8.280 nan 0.000 0.536 638 A N 1.391 124.398 122.820 0.312 0.000 2.445 638 A HA 0.237 4.557 4.320 0.000 0.000 0.242 638 A C -2.338 175.447 177.584 0.335 0.000 1.075 638 A CA -1.385 50.852 52.037 0.334 0.000 0.777 638 A CB -0.313 18.859 19.000 0.287 0.000 1.013 638 A HN -0.001 nan 8.150 nan 0.000 0.493 639 P HA 0.242 nan 4.420 nan 0.000 0.261 639 P C 1.051 178.411 177.300 0.099 0.000 1.203 639 P CA 1.862 65.062 63.100 0.166 0.000 0.767 639 P CB 0.525 32.308 31.700 0.138 0.000 0.785 640 G N 2.819 111.614 108.800 -0.009 0.000 2.284 640 G HA2 -0.329 3.631 3.960 0.000 0.000 0.230 640 G HA3 -0.329 3.631 3.960 0.000 0.000 0.230 640 G C 0.538 175.268 174.900 -0.283 0.000 1.021 640 G CA -0.311 44.672 45.100 -0.196 0.000 0.619 640 G HN 0.471 nan 8.290 nan 0.000 0.510 641 Y N 2.496 122.758 120.300 -0.064 0.000 2.470 641 Y HA 0.242 4.792 4.550 0.000 0.000 0.284 641 Y C 2.056 177.911 175.900 -0.075 0.000 1.188 641 Y CA 0.560 58.613 58.100 -0.078 0.000 1.269 641 Y CB 0.147 38.557 38.460 -0.082 0.000 1.094 641 Y HN 0.420 nan 8.280 nan 0.000 0.518 642 D N 0.609 121.028 120.400 0.032 0.000 2.347 642 D HA -0.137 4.503 4.640 0.000 0.000 0.215 642 D C 0.686 176.959 176.300 -0.046 0.000 0.976 642 D CA 0.633 54.620 54.000 -0.021 0.000 0.884 642 D CB -0.199 40.591 40.800 -0.018 0.000 0.915 642 D HN 0.490 nan 8.370 nan 0.000 0.526 643 K N 0.078 120.451 120.400 -0.046 0.000 2.792 643 K HA 0.318 4.638 4.320 0.000 0.000 0.207 643 K C -0.639 175.932 176.600 -0.049 0.000 1.103 643 K CA -0.543 55.712 56.287 -0.052 0.000 1.048 643 K CB 0.819 33.284 32.500 -0.058 0.000 0.777 643 K HN -0.138 nan 8.250 nan 0.000 0.468 644 V N 2.607 122.504 119.914 -0.030 0.000 2.488 644 V HA 0.093 4.213 4.120 0.000 0.000 0.277 644 V C 1.069 177.152 176.094 -0.018 0.000 1.046 644 V CA -0.338 61.952 62.300 -0.017 0.000 0.986 644 V CB 1.190 33.037 31.823 0.040 0.000 0.989 644 V HN 0.388 nan 8.190 nan 0.000 0.475 645 K N 2.245 122.631 120.400 -0.023 0.000 1.973 645 K HA -0.076 4.244 4.320 0.000 0.000 0.212 645 K C 0.490 177.084 176.600 -0.010 0.000 1.047 645 K CA 1.265 57.540 56.287 -0.020 0.000 0.937 645 K CB 0.037 32.524 32.500 -0.022 0.000 0.721 645 K HN 0.649 nan 8.250 nan 0.000 0.440 646 D N 0.099 120.498 120.400 -0.002 0.000 2.349 646 D HA 0.080 4.720 4.640 0.000 0.000 0.232 646 D C 0.181 176.492 176.300 0.019 0.000 1.071 646 D CA -0.371 53.633 54.000 0.008 0.000 0.832 646 D CB 1.414 42.221 40.800 0.012 0.000 1.086 646 D HN -0.078 nan 8.370 nan 0.000 0.504 647 I N 3.203 123.783 120.570 0.016 0.000 2.756 647 I HA -0.159 4.011 4.170 0.000 0.000 0.262 647 I C 1.787 177.914 176.117 0.016 0.000 1.225 647 I CA 1.161 62.471 61.300 0.016 0.000 1.472 647 I CB -0.131 37.875 38.000 0.011 0.000 1.094 647 I HN 0.413 nan 8.210 nan 0.000 0.454 648 S N -1.037 114.681 115.700 0.029 0.000 2.607 648 S HA -0.052 4.418 4.470 0.000 0.000 0.224 648 S C 1.767 176.404 174.600 0.061 0.000 0.969 648 S CA 0.683 58.907 58.200 0.041 0.000 0.927 648 S CB -0.245 62.983 63.200 0.046 0.000 0.772 648 S HN 0.526 nan 8.310 nan 0.000 0.533 649 E N 1.735 121.975 120.200 0.067 0.000 2.276 649 E HA 0.017 4.367 4.350 0.000 0.000 0.193 649 E C 1.755 178.472 176.600 0.195 0.000 0.983 649 E CA 0.952 57.418 56.400 0.111 0.000 0.861 649 E CB 0.031 29.770 29.700 0.066 0.000 0.817 649 E HN 0.497 nan 8.360 nan 0.000 0.485 650 V N -1.825 118.161 119.914 0.120 0.000 3.506 650 V HA 0.234 4.354 4.120 0.000 0.000 0.263 650 V C 0.700 176.685 176.094 -0.182 0.000 1.203 650 V CA 0.112 62.474 62.300 0.103 0.000 1.133 650 V CB 0.496 32.380 31.823 0.102 0.000 0.802 650 V HN -0.025 nan 8.190 nan 0.000 0.459 651 V N 3.217 123.033 119.914 -0.162 0.000 2.235 651 V HA 0.338 4.458 4.120 0.000 0.000 0.266 651 V C 0.747 176.862 176.094 0.034 0.000 1.055 651 V CA 0.246 62.364 62.300 -0.303 0.000 0.844 651 V CB 0.152 31.823 31.823 -0.254 0.000 1.097 651 V HN 0.651 nan 8.190 nan 0.000 0.453 652 T N 1.696 116.397 114.554 0.244 0.000 2.856 652 T HA 0.204 4.554 4.350 0.000 0.000 0.306 652 T C -1.442 173.429 174.700 0.284 0.000 1.062 652 T CA -1.268 60.994 62.100 0.271 0.000 1.083 652 T CB 0.955 69.939 68.868 0.193 0.000 0.984 652 T HN 0.313 nan 8.240 nan 0.000 0.542 653 P HA -0.005 nan 4.420 nan 0.000 0.226 653 P C 0.744 178.073 177.300 0.049 0.000 1.146 653 P CA 0.610 63.773 63.100 0.105 0.000 0.773 653 P CB 0.005 31.751 31.700 0.075 0.000 0.772 654 R N -1.258 119.196 120.500 -0.078 0.000 2.541 654 R HA 0.229 4.569 4.340 0.000 0.000 0.245 654 R C -0.291 175.750 176.300 -0.432 0.000 1.154 654 R CA 0.042 55.954 56.100 -0.313 0.000 1.179 654 R CB -1.156 28.723 30.300 -0.701 0.000 1.189 654 R HN 0.174 nan 8.270 nan 0.000 0.526 655 F N -0.462 119.491 119.950 0.006 0.000 2.540 655 F HA 0.448 4.975 4.527 0.000 0.000 0.317 655 F C -0.172 175.691 175.800 0.105 0.000 1.104 655 F CA -1.018 57.026 58.000 0.074 0.000 0.913 655 F CB 1.594 40.661 39.000 0.111 0.000 1.170 655 F HN -0.255 nan 8.300 nan 0.000 0.450 656 L N 3.647 125.049 121.223 0.298 0.000 2.298 656 L HA 0.400 4.740 4.340 0.000 0.000 0.284 656 L C -0.693 176.274 176.870 0.161 0.000 1.013 656 L CA -0.624 54.337 54.840 0.202 0.000 0.824 656 L CB 1.496 43.647 42.059 0.153 0.000 1.221 656 L HN 0.633 nan 8.230 nan 0.000 0.418 657 c N 3.525 122.145 118.600 0.033 0.000 2.435 657 c HA 0.724 5.294 4.570 0.000 0.000 0.375 657 c C 0.933 174.918 174.090 -0.174 0.000 1.281 657 c CA -0.044 56.126 56.329 -0.265 0.000 1.963 657 c CB 0.136 42.462 42.510 -0.308 0.000 2.490 657 c HN 0.942 nan 8.230 nan 0.000 0.557 658 T N 2.506 116.911 114.554 -0.249 0.000 2.742 658 T HA 0.874 5.224 4.350 0.000 0.000 0.282 658 T C 0.131 174.739 174.700 -0.155 0.000 1.025 658 T CA 0.331 62.376 62.100 -0.091 0.000 1.020 658 T CB 0.836 69.747 68.868 0.072 0.000 1.317 658 T HN 2.359 nan 8.240 nan 0.000 0.538 659 G N -1.381 107.399 108.800 -0.034 0.000 2.819 659 G HA2 0.434 4.394 3.960 0.000 0.000 0.682 659 G HA3 0.434 4.394 3.960 0.000 0.000 0.682 659 G C 0.223 175.091 174.900 -0.053 0.000 1.481 659 G CA 0.054 45.132 45.100 -0.036 0.000 0.904 659 G HN 2.636 nan 8.290 nan 0.000 0.563 660 G N -2.358 106.423 108.800 -0.033 0.000 2.278 660 G HA2 0.496 4.456 3.960 0.000 0.000 0.265 660 G HA3 0.496 4.456 3.960 0.000 0.000 0.265 660 G C 0.738 175.626 174.900 -0.020 0.000 1.329 660 G CA 1.377 46.450 45.100 -0.044 0.000 1.017 660 G HN 2.356 nan 8.290 nan 0.000 0.472 661 V N -3.429 116.465 119.914 -0.034 0.000 3.562 661 V HA 0.653 4.773 4.120 0.000 0.000 0.270 661 V C 0.822 176.877 176.094 -0.065 0.000 1.418 661 V CA 1.444 63.723 62.300 -0.034 0.000 1.033 661 V CB 0.646 32.441 31.823 -0.047 0.000 0.820 661 V HN 1.526 nan 8.190 nan 0.000 0.441 662 S N 0.920 116.572 115.700 -0.079 0.000 2.482 662 S HA 0.688 5.158 4.470 0.000 0.000 0.303 662 S C -1.981 172.537 174.600 -0.136 0.000 1.091 662 S CA -1.074 57.044 58.200 -0.137 0.000 1.057 662 S CB 1.934 65.063 63.200 -0.118 0.000 1.031 662 S HN 0.195 nan 8.310 nan 0.000 0.485 663 P HA 0.141 nan 4.420 nan 0.000 0.225 663 P C -0.849 176.077 177.300 -0.623 0.000 1.156 663 P CA 0.954 63.798 63.100 -0.426 0.000 0.787 663 P CB 0.048 31.460 31.700 -0.480 0.000 0.802 664 Y N -1.781 118.406 120.300 -0.187 0.000 2.634 664 Y HA 0.631 5.181 4.550 0.000 0.000 0.340 664 Y C 0.234 176.132 175.900 -0.004 0.000 1.058 664 Y CA -1.868 56.191 58.100 -0.068 0.000 1.081 664 Y CB 0.791 39.243 38.460 -0.013 0.000 1.295 664 Y HN -0.375 nan 8.280 nan 0.000 0.487 665 A N 1.648 124.585 122.820 0.195 0.000 2.671 665 A HA 0.280 4.600 4.320 0.000 0.000 0.306 665 A C -1.017 176.650 177.584 0.139 0.000 1.473 665 A CA -0.487 51.620 52.037 0.115 0.000 1.155 665 A CB -1.051 17.995 19.000 0.077 0.000 1.123 665 A HN 0.555 nan 8.150 nan 0.000 0.545 666 D N 3.644 124.130 120.400 0.144 0.000 2.308 666 D HA 0.376 5.016 4.640 0.000 0.000 0.251 666 D C -2.395 173.978 176.300 0.123 0.000 1.127 666 D CA -1.176 52.919 54.000 0.159 0.000 0.876 666 D CB 0.688 41.600 40.800 0.187 0.000 1.176 666 D HN 0.249 nan 8.370 nan 0.000 0.446 667 P HA 0.092 nan 4.420 nan 0.000 0.268 667 P C -0.404 177.042 177.300 0.243 0.000 1.205 667 P CA -0.199 62.993 63.100 0.153 0.000 0.771 667 P CB 0.601 32.368 31.700 0.112 0.000 0.858 668 N N 0.090 118.890 118.700 0.167 0.000 2.495 668 N HA 0.351 5.091 4.740 0.000 0.000 0.280 668 N C -0.202 175.386 175.510 0.131 0.000 1.168 668 N CA -0.360 52.745 53.050 0.091 0.000 0.978 668 N CB 0.215 38.708 38.487 0.009 0.000 1.191 668 N HN 0.363 nan 8.380 nan 0.000 0.497 669 T N -2.166 112.334 114.554 -0.091 0.000 2.889 669 T HA 0.520 4.870 4.350 0.000 0.000 0.291 669 T C 0.395 175.087 174.700 -0.014 0.000 0.995 669 T CA -0.657 61.359 62.100 -0.141 0.000 1.092 669 T CB 0.084 68.714 68.868 -0.396 0.000 0.954 669 T HN 0.371 nan 8.240 nan 0.000 0.506 670 c N 1.919 120.552 118.600 0.056 0.000 2.534 670 c HA 0.542 5.112 4.570 0.000 0.000 0.398 670 c C 2.320 176.443 174.090 0.055 0.000 1.609 670 c CA -0.883 55.482 56.329 0.060 0.000 1.916 670 c CB 0.786 43.345 42.510 0.082 0.000 1.954 670 c HN 1.169 nan 8.230 nan 0.000 0.508 671 R N 0.335 120.872 120.500 0.062 0.000 2.090 671 R HA -0.023 4.317 4.340 0.000 0.000 0.228 671 R C 1.915 178.260 176.300 0.076 0.000 1.110 671 R CA 1.730 57.873 56.100 0.072 0.000 0.973 671 R CB -0.810 29.528 30.300 0.063 0.000 0.869 671 R HN 0.927 nan 8.270 nan 0.000 0.440 672 G N -0.028 108.816 108.800 0.073 0.000 2.534 672 G HA2 -0.159 3.801 3.960 0.000 0.000 0.217 672 G HA3 -0.159 3.801 3.960 0.000 0.000 0.217 672 G C 0.581 175.532 174.900 0.086 0.000 1.128 672 G CA 0.484 45.630 45.100 0.076 0.000 0.784 672 G HN 0.322 nan 8.290 nan 0.000 0.542 673 D N 0.197 120.655 120.400 0.097 0.000 2.355 673 D HA 0.072 4.712 4.640 0.000 0.000 0.218 673 D C 1.438 177.798 176.300 0.099 0.000 1.004 673 D CA 0.096 54.169 54.000 0.121 0.000 0.880 673 D CB 0.118 41.018 40.800 0.167 0.000 0.911 673 D HN 0.173 nan 8.370 nan 0.000 0.528 674 S N -0.533 115.222 115.700 0.091 0.000 2.558 674 S HA 0.266 4.736 4.470 0.000 0.000 0.293 674 S C 1.497 176.160 174.600 0.105 0.000 1.292 674 S CA 0.924 59.194 58.200 0.118 0.000 1.063 674 S CB 0.291 63.602 63.200 0.185 0.000 0.831 674 S HN 0.483 nan 8.310 nan 0.000 0.499 675 G N 3.043 111.926 108.800 0.139 0.000 2.176 675 G HA2 -0.180 3.780 3.960 0.000 0.000 0.253 675 G HA3 -0.180 3.780 3.960 0.000 0.000 0.253 675 G C 0.530 175.517 174.900 0.146 0.000 0.979 675 G CA 0.134 45.314 45.100 0.133 0.000 0.641 675 G HN 1.310 nan 8.290 nan 0.000 0.530 676 G N 0.355 109.242 108.800 0.146 0.000 2.544 676 G HA2 0.509 4.469 3.960 0.000 0.000 0.242 676 G HA3 0.509 4.469 3.960 0.000 0.000 0.242 676 G C -2.132 172.868 174.900 0.166 0.000 1.247 676 G CA -0.432 44.770 45.100 0.170 0.000 0.840 676 G HN 0.248 nan 8.290 nan 0.000 0.578 677 P HA 0.158 nan 4.420 nan 0.000 0.281 677 P C -0.410 176.946 177.300 0.094 0.000 1.252 677 P CA -0.589 62.587 63.100 0.127 0.000 0.778 677 P CB 1.237 33.022 31.700 0.142 0.000 0.895 678 L N 5.663 126.885 121.223 -0.003 0.000 2.302 678 L HA 0.352 4.692 4.340 0.000 0.000 0.285 678 L C -0.675 176.171 176.870 -0.040 0.000 1.090 678 L CA -0.056 54.734 54.840 -0.083 0.000 0.866 678 L CB -0.916 40.969 42.059 -0.291 0.000 1.244 678 L HN 0.244 nan 8.230 nan 0.000 0.435 679 I N 4.521 125.098 120.570 0.011 0.000 2.488 679 I HA 0.379 4.549 4.170 0.000 0.000 0.299 679 I C -0.451 175.675 176.117 0.015 0.000 0.984 679 I CA -0.983 60.320 61.300 0.005 0.000 1.250 679 I CB 1.781 39.813 38.000 0.055 0.000 1.389 679 I HN 0.113 nan 8.210 nan 0.000 0.488 680 V N 4.276 124.180 119.914 -0.017 0.000 2.304 680 V HA 0.132 4.252 4.120 0.000 0.000 0.278 680 V C -0.270 175.771 176.094 -0.089 0.000 1.018 680 V CA -0.627 61.648 62.300 -0.042 0.000 0.814 680 V CB 0.691 32.483 31.823 -0.051 0.000 1.021 680 V HN 0.617 nan 8.190 nan 0.000 0.440 681 H N 5.393 124.349 119.070 -0.190 0.000 3.089 681 H HA 0.419 4.975 4.556 0.000 0.000 0.262 681 H C -0.147 175.008 175.328 -0.289 0.000 1.160 681 H CA 0.505 56.335 56.048 -0.364 0.000 1.482 681 H CB 0.133 29.673 29.762 -0.370 0.000 1.511 681 H HN 0.567 nan 8.280 nan 0.000 0.483 682 K N 3.794 123.864 120.400 -0.550 0.000 2.464 682 K HA 0.323 4.643 4.320 0.000 0.000 0.253 682 K C -0.196 176.150 176.600 -0.424 0.000 0.933 682 K CA -1.179 54.881 56.287 -0.378 0.000 0.801 682 K CB 1.933 34.307 32.500 -0.209 0.000 1.271 682 K HN 0.573 nan 8.250 nan 0.000 0.430 683 R N 0.409 120.729 120.500 -0.299 0.000 3.641 683 R HA -0.172 4.168 4.340 0.000 0.000 0.286 683 R C -0.674 175.450 176.300 -0.294 0.000 1.153 683 R CA 0.927 56.890 56.100 -0.229 0.000 0.775 683 R CB -3.154 27.043 30.300 -0.172 0.000 1.215 683 R HN 0.983 nan 8.270 nan 0.000 0.474 684 S N -1.503 113.926 115.700 -0.452 0.000 3.561 684 S HA -0.215 4.255 4.470 0.000 0.000 0.318 684 S C 0.232 174.543 174.600 -0.480 0.000 1.181 684 S CA 1.674 59.622 58.200 -0.419 0.000 0.916 684 S CB -0.511 62.609 63.200 -0.134 0.000 0.966 684 S HN 0.439 nan 8.310 nan 0.000 0.550 685 R N -0.656 119.424 120.500 -0.701 0.000 2.854 685 R HA 0.700 5.040 4.340 0.000 0.000 0.271 685 R C -0.914 174.963 176.300 -0.704 0.000 0.994 685 R CA -0.661 55.153 56.100 -0.478 0.000 0.945 685 R CB 0.569 30.705 30.300 -0.273 0.000 1.194 685 R HN 0.166 nan 8.270 nan 0.000 0.476 686 F N 2.027 121.831 119.950 -0.245 0.000 2.403 686 F HA 0.441 4.968 4.527 0.000 0.000 0.355 686 F C 0.144 175.731 175.800 -0.355 0.000 1.119 686 F CA -0.750 57.059 58.000 -0.318 0.000 1.007 686 F CB 1.220 39.888 39.000 -0.554 0.000 1.194 686 F HN 0.054 nan 8.300 nan 0.000 0.443 687 I N 3.204 123.691 120.570 -0.139 0.000 2.362 687 I HA 0.250 4.420 4.170 0.000 0.000 0.289 687 I C -0.171 175.874 176.117 -0.120 0.000 0.994 687 I CA -0.792 60.426 61.300 -0.136 0.000 1.158 687 I CB 1.459 39.399 38.000 -0.100 0.000 1.315 687 I HN 0.627 nan 8.210 nan 0.000 0.451 688 Q N 4.894 124.606 119.800 -0.146 0.000 2.288 688 Q HA 0.341 4.681 4.340 0.000 0.000 0.258 688 Q C 0.341 176.303 176.000 -0.064 0.000 0.957 688 Q CA -0.197 55.541 55.803 -0.108 0.000 0.919 688 Q CB 1.432 30.100 28.738 -0.116 0.000 1.185 688 Q HN 0.688 nan 8.270 nan 0.000 0.408 689 V N 0.466 120.368 119.914 -0.019 0.000 3.548 689 V HA 0.588 4.708 4.120 0.000 0.000 0.279 689 V C 0.344 176.469 176.094 0.052 0.000 1.446 689 V CA 0.517 62.846 62.300 0.047 0.000 1.023 689 V CB 0.641 32.555 31.823 0.151 0.000 0.820 689 V HN 0.621 nan 8.190 nan 0.000 0.438 690 G N -0.509 108.296 108.800 0.009 0.000 2.695 690 G HA2 0.630 4.590 3.960 0.000 0.000 0.290 690 G HA3 0.630 4.590 3.960 0.000 0.000 0.290 690 G C -1.920 173.002 174.900 0.037 0.000 1.410 690 G CA -0.515 44.598 45.100 0.022 0.000 0.844 690 G HN 0.321 nan 8.290 nan 0.000 0.478 691 V N 1.148 121.124 119.914 0.103 0.000 2.525 691 V HA 0.328 4.448 4.120 0.000 0.000 0.299 691 V C 0.223 176.463 176.094 0.244 0.000 1.034 691 V CA -0.603 61.785 62.300 0.148 0.000 0.863 691 V CB 1.551 33.458 31.823 0.140 0.000 0.999 691 V HN 0.701 nan 8.190 nan 0.000 0.423 692 I N 3.478 124.220 120.570 0.288 0.000 2.845 692 I HA -0.054 4.116 4.170 0.000 0.000 0.290 692 I C 1.332 177.543 176.117 0.157 0.000 1.202 692 I CA 0.877 62.337 61.300 0.267 0.000 1.406 692 I CB 0.632 38.709 38.000 0.129 0.000 1.383 692 I HN 0.812 nan 8.210 nan 0.000 0.549 693 S N 8.011 123.738 115.700 0.046 0.000 2.583 693 S HA 0.247 4.717 4.470 0.000 0.000 0.203 693 S C -0.275 174.282 174.600 -0.071 0.000 0.952 693 S CA -0.166 58.117 58.200 0.138 0.000 0.887 693 S CB 0.492 63.876 63.200 0.306 0.000 0.857 693 S HN 0.708 nan 8.310 nan 0.000 0.611 694 W N 0.372 121.448 121.300 -0.372 0.000 3.118 694 W HA 0.723 5.383 4.660 0.000 0.000 0.328 694 W C -0.550 175.833 176.519 -0.227 0.000 1.239 694 W CA -1.086 55.961 57.345 -0.497 0.000 1.176 694 W CB 0.428 29.294 29.460 -0.990 0.000 1.433 694 W HN 0.414 nan 8.180 nan 0.000 0.562 695 G N 0.268 109.067 108.800 -0.001 0.000 2.498 695 G HA2 0.482 4.442 3.960 0.000 0.000 0.312 695 G HA3 0.482 4.442 3.960 0.000 0.000 0.312 695 G C -0.256 174.751 174.900 0.177 0.000 1.230 695 G CA -0.673 44.388 45.100 -0.065 0.000 0.968 695 G HN 0.363 nan 8.290 nan 0.000 0.481 696 V N 0.217 120.202 119.914 0.120 0.000 2.283 696 V HA 0.003 4.123 4.120 0.000 0.000 0.243 696 V C 0.921 177.136 176.094 0.202 0.000 1.039 696 V CA 1.010 63.462 62.300 0.253 0.000 1.016 696 V CB -0.247 31.720 31.823 0.241 0.000 0.650 696 V HN 0.349 nan 8.190 nan 0.000 0.449 697 V N 1.209 121.183 119.914 0.100 0.000 2.407 697 V HA 0.349 4.469 4.120 0.000 0.000 0.291 697 V C -0.724 175.396 176.094 0.042 0.000 1.018 697 V CA -0.809 61.535 62.300 0.073 0.000 0.842 697 V CB 1.525 33.349 31.823 0.002 0.000 0.996 697 V HN 0.360 nan 8.190 nan 0.000 0.426 698 D N 3.857 124.294 120.400 0.061 0.000 2.363 698 D HA 0.102 4.742 4.640 0.000 0.000 0.263 698 D C 0.781 177.100 176.300 0.032 0.000 1.258 698 D CA 0.143 54.171 54.000 0.048 0.000 0.907 698 D CB 1.574 42.410 40.800 0.060 0.000 1.107 698 D HN 0.449 nan 8.370 nan 0.000 0.495 699 V N 1.427 121.355 119.914 0.023 0.000 3.483 699 V HA 0.326 4.446 4.120 0.000 0.000 0.301 699 V C 0.078 176.188 176.094 0.027 0.000 1.389 699 V CA -0.465 61.846 62.300 0.018 0.000 1.101 699 V CB -0.629 31.199 31.823 0.008 0.000 0.971 699 V HN 0.508 nan 8.190 nan 0.000 0.434 700 c N 1.145 119.766 118.600 0.035 0.000 2.364 700 c HA 0.630 5.200 4.570 0.000 0.000 0.324 700 c C 0.430 174.543 174.090 0.038 0.000 1.234 700 c CA -0.622 55.730 56.329 0.039 0.000 1.417 700 c CB 1.188 43.726 42.510 0.048 0.000 2.101 700 c HN 0.539 nan 8.230 nan 0.000 0.466 701 K N 2.046 122.467 120.400 0.035 0.000 2.972 701 K HA 0.167 4.487 4.320 0.000 0.000 0.209 701 K C 0.059 176.679 176.600 0.033 0.000 1.128 701 K CA -0.235 56.072 56.287 0.033 0.000 1.024 701 K CB 0.115 32.633 32.500 0.030 0.000 0.754 701 K HN 0.656 nan 8.250 nan 0.000 0.454 702 N N 1.431 120.153 118.700 0.037 0.000 2.713 702 N HA -0.272 4.468 4.740 0.000 0.000 0.251 702 N C 0.556 176.087 175.510 0.034 0.000 1.117 702 N CA 1.570 54.644 53.050 0.039 0.000 0.770 702 N CB -0.906 37.606 38.487 0.043 0.000 1.137 702 N HN 0.632 nan 8.380 nan 0.000 0.566 703 Q N -0.661 119.157 119.800 0.030 0.000 2.341 703 Q HA 0.244 4.584 4.340 0.000 0.000 0.173 703 Q C -0.501 175.513 176.000 0.023 0.000 0.659 703 Q CA 0.258 56.077 55.803 0.025 0.000 0.776 703 Q CB 0.782 29.534 28.738 0.023 0.000 1.108 703 Q HN 0.253 nan 8.270 nan 0.000 0.538 704 K N 0.083 120.496 120.400 0.022 0.000 2.439 704 K HA 0.483 4.803 4.320 0.000 0.000 0.260 704 K C -1.170 175.443 176.600 0.021 0.000 1.032 704 K CA -0.975 55.324 56.287 0.019 0.000 0.882 704 K CB 1.481 33.990 32.500 0.016 0.000 1.420 704 K HN 0.017 nan 8.250 nan 0.000 0.455 705 R N 1.706 122.218 120.500 0.019 0.000 2.490 705 R HA 0.029 4.369 4.340 0.000 0.000 0.280 705 R C 0.964 177.273 176.300 0.015 0.000 1.077 705 R CA 0.044 56.156 56.100 0.020 0.000 1.065 705 R CB 0.860 31.172 30.300 0.021 0.000 1.003 705 R HN 0.694 nan 8.270 nan 0.000 0.470 706 Q N 2.780 122.588 119.800 0.013 0.000 2.096 706 Q HA -0.271 4.069 4.340 0.000 0.000 0.208 706 Q C 0.137 176.139 176.000 0.002 0.000 0.993 706 Q CA 2.651 58.458 55.803 0.006 0.000 0.862 706 Q CB 0.073 28.810 28.738 -0.002 0.000 0.915 706 Q HN 0.722 nan 8.270 nan 0.000 0.416 707 K N -2.990 117.410 120.400 0.001 0.000 3.658 707 K HA -0.229 4.091 4.320 0.000 0.000 0.372 707 K C 0.094 176.689 176.600 -0.008 0.000 0.598 707 K CA 1.651 57.938 56.287 -0.001 0.000 1.635 707 K CB -1.228 31.274 32.500 0.002 0.000 1.178 707 K HN 0.291 nan 8.250 nan 0.000 0.470 708 Q N 1.361 121.154 119.800 -0.012 0.000 2.640 708 Q HA 0.177 4.517 4.340 0.000 0.000 0.389 708 Q C -0.243 175.734 176.000 -0.038 0.000 1.012 708 Q CA 0.123 55.914 55.803 -0.019 0.000 1.060 708 Q CB 0.524 29.255 28.738 -0.012 0.000 1.332 708 Q HN 0.382 nan 8.270 nan 0.000 0.418 709 V N -0.792 119.094 119.914 -0.048 0.000 2.655 709 V HA 0.329 4.449 4.120 0.000 0.000 0.300 709 V C -2.038 173.976 176.094 -0.133 0.000 1.044 709 V CA -1.491 60.759 62.300 -0.084 0.000 1.095 709 V CB -0.363 31.416 31.823 -0.072 0.000 0.952 709 V HN 0.139 nan 8.190 nan 0.000 0.485 710 P HA 0.345 nan 4.420 nan 0.000 0.271 710 P C 0.517 177.614 177.300 -0.338 0.000 1.233 710 P CA 0.043 62.929 63.100 -0.358 0.000 0.789 710 P CB 0.663 31.877 31.700 -0.810 0.000 0.951 711 A N 0.669 123.339 122.820 -0.251 0.000 2.238 711 A HA -0.060 4.260 4.320 0.000 0.000 0.208 711 A C 0.944 178.445 177.584 -0.139 0.000 1.177 711 A CA 0.927 52.876 52.037 -0.146 0.000 0.804 711 A CB -1.282 17.678 19.000 -0.067 0.000 0.823 711 A HN 0.816 nan 8.150 nan 0.000 0.482 712 H N -3.790 115.160 119.070 -0.199 0.000 2.784 712 H HA 0.633 5.189 4.556 0.000 0.000 0.273 712 H C 0.517 175.763 175.328 -0.137 0.000 1.112 712 H CA 0.102 56.016 56.048 -0.224 0.000 1.162 712 H CB -0.351 29.087 29.762 -0.541 0.000 1.586 712 H HN 0.179 nan 8.280 nan 0.000 0.548 713 A N 2.605 125.231 122.820 -0.323 0.000 2.785 713 A HA 0.227 4.547 4.320 0.000 0.000 0.294 713 A C 0.043 177.540 177.584 -0.144 0.000 1.597 713 A CA -0.571 51.348 52.037 -0.197 0.000 1.283 713 A CB -0.384 18.492 19.000 -0.207 0.000 1.088 713 A HN 0.294 nan 8.150 nan 0.000 0.568 714 R N 1.352 121.768 120.500 -0.140 0.000 2.596 714 R HA 0.536 4.876 4.340 0.000 0.000 0.267 714 R C -1.287 174.747 176.300 -0.442 0.000 1.026 714 R CA -0.678 55.236 56.100 -0.310 0.000 1.087 714 R CB 0.779 30.828 30.300 -0.419 0.000 1.132 714 R HN 0.495 nan 8.270 nan 0.000 0.531 715 D N 0.938 120.963 120.400 -0.626 0.000 2.649 715 D HA 0.376 5.016 4.640 0.000 0.000 0.249 715 D C -0.732 174.940 176.300 -1.047 0.000 1.112 715 D CA -0.252 53.329 54.000 -0.698 0.000 0.850 715 D CB 1.206 41.716 40.800 -0.483 0.000 1.399 715 D HN 0.151 nan 8.370 nan 0.000 0.503 716 F N 1.380 120.722 119.950 -1.013 0.000 2.458 716 F HA 0.431 4.958 4.527 0.000 0.000 0.330 716 F C 1.056 176.347 175.800 -0.849 0.000 1.082 716 F CA -0.493 56.979 58.000 -0.881 0.000 0.995 716 F CB 1.587 39.864 39.000 -1.204 0.000 1.170 716 F HN 0.181 nan 8.300 nan 0.000 0.478 717 H N 1.953 121.085 119.070 0.104 0.000 2.949 717 H HA 0.515 5.071 4.556 0.000 0.000 0.310 717 H C -1.029 174.314 175.328 0.025 0.000 1.405 717 H CA -0.783 55.296 56.048 0.051 0.000 1.253 717 H CB 2.239 31.993 29.762 -0.012 0.000 1.932 717 H HN 0.205 nan 8.280 nan 0.000 0.602 718 I N 2.370 122.993 120.570 0.087 0.000 2.354 718 I HA 0.035 4.205 4.170 0.000 0.000 0.286 718 I C 0.434 176.540 176.117 -0.019 0.000 1.007 718 I CA -0.742 60.491 61.300 -0.112 0.000 1.167 718 I CB 0.331 38.256 38.000 -0.126 0.000 1.320 718 I HN 0.406 nan 8.210 nan 0.000 0.458 719 N N 6.316 125.003 118.700 -0.022 0.000 2.434 719 N HA 0.054 4.794 4.740 0.000 0.000 0.268 719 N C 0.954 176.516 175.510 0.086 0.000 1.256 719 N CA 0.226 53.325 53.050 0.082 0.000 0.914 719 N CB 0.821 39.376 38.487 0.112 0.000 1.088 719 N HN 0.529 nan 8.380 nan 0.000 0.478 720 L N 3.019 124.292 121.223 0.083 0.000 2.201 720 L HA -0.102 4.238 4.340 0.000 0.000 0.212 720 L C 1.292 178.150 176.870 -0.019 0.000 1.105 720 L CA 0.775 55.617 54.840 0.004 0.000 0.775 720 L CB -0.332 41.668 42.059 -0.098 0.000 0.913 720 L HN 0.514 nan 8.230 nan 0.000 0.440 721 F N -0.202 119.784 119.950 0.061 0.000 2.546 721 F HA -0.145 4.382 4.527 0.000 0.000 0.298 721 F C 2.471 178.316 175.800 0.076 0.000 1.120 721 F CA 0.755 58.795 58.000 0.067 0.000 1.456 721 F CB -0.123 38.906 39.000 0.047 0.000 1.088 721 F HN 0.147 nan 8.300 nan 0.000 0.572 722 Q N -0.435 119.492 119.800 0.211 0.000 2.391 722 Q HA 0.101 4.441 4.340 0.000 0.000 0.211 722 Q C 1.722 177.848 176.000 0.212 0.000 0.908 722 Q CA 0.821 56.724 55.803 0.168 0.000 0.920 722 Q CB 0.257 29.035 28.738 0.066 0.000 1.056 722 Q HN 0.415 nan 8.270 nan 0.000 0.523 723 V N -2.261 117.773 119.914 0.200 0.000 3.099 723 V HA 0.209 4.329 4.120 0.000 0.000 0.356 723 V C 1.537 177.796 176.094 0.274 0.000 1.364 723 V CA 0.069 62.551 62.300 0.304 0.000 1.229 723 V CB -0.830 31.172 31.823 0.299 0.000 1.227 723 V HN 0.043 nan 8.190 nan 0.000 0.493 724 L N 0.158 121.480 121.223 0.166 0.000 2.017 724 L HA 0.004 4.344 4.340 0.000 0.000 0.208 724 L C 0.097 176.977 176.870 0.016 0.000 1.073 724 L CA 1.854 56.734 54.840 0.067 0.000 0.745 724 L CB -1.720 40.380 42.059 0.068 0.000 0.894 724 L HN 0.366 nan 8.230 nan 0.000 0.432 725 P HA -0.229 nan 4.420 nan 0.000 0.217 725 P C 1.105 178.425 177.300 0.033 0.000 1.148 725 P CA 1.417 64.540 63.100 0.039 0.000 0.828 725 P CB -0.092 31.662 31.700 0.091 0.000 0.783 726 W N -0.035 121.225 121.300 -0.067 0.000 2.453 726 W HA 0.003 4.663 4.660 0.000 0.000 0.289 726 W C 1.830 178.246 176.519 -0.172 0.000 1.215 726 W CA 0.981 58.263 57.345 -0.104 0.000 1.297 726 W CB -0.760 28.688 29.460 -0.020 0.000 1.113 726 W HN -0.228 nan 8.180 nan 0.000 0.551 727 L N 0.796 121.873 121.223 -0.242 0.000 2.072 727 L HA -0.154 4.186 4.340 0.000 0.000 0.205 727 L C 2.580 178.944 176.870 -0.843 0.000 1.079 727 L CA 1.667 56.174 54.840 -0.554 0.000 0.752 727 L CB -0.967 40.935 42.059 -0.261 0.000 0.906 727 L HN -0.100 nan 8.230 nan 0.000 0.436 728 K N 0.422 120.305 120.400 -0.862 0.000 2.147 728 K HA -0.236 4.084 4.320 0.000 0.000 0.205 728 K C 2.024 178.256 176.600 -0.613 0.000 1.049 728 K CA 1.478 57.125 56.287 -1.066 0.000 0.936 728 K CB 0.122 32.241 32.500 -0.634 0.000 0.722 728 K HN 0.309 nan 8.250 nan 0.000 0.446 729 E N 0.104 120.024 120.200 -0.467 0.000 2.086 729 E HA -0.108 4.242 4.350 0.000 0.000 0.190 729 E C 1.416 177.777 176.600 -0.400 0.000 0.975 729 E CA 0.661 56.858 56.400 -0.339 0.000 0.813 729 E CB 0.290 29.847 29.700 -0.239 0.000 0.768 729 E HN 0.074 nan 8.360 nan 0.000 0.457 730 K N 0.217 120.258 120.400 -0.598 0.000 2.296 730 K HA 0.025 4.345 4.320 0.000 0.000 0.200 730 K C 1.259 177.410 176.600 -0.747 0.000 1.048 730 K CA 0.544 56.426 56.287 -0.674 0.000 0.966 730 K CB 0.246 32.163 32.500 -0.971 0.000 0.754 730 K HN 0.273 nan 8.250 nan 0.000 0.466 731 L N 1.830 122.671 121.223 -0.636 0.000 3.141 731 L HA 0.158 4.498 4.340 0.000 0.000 0.267 731 L C 1.718 178.495 176.870 -0.155 0.000 1.281 731 L CA -0.190 54.389 54.840 -0.435 0.000 1.037 731 L CB 0.184 42.078 42.059 -0.276 0.000 1.407 731 L HN 0.104 nan 8.230 nan 0.000 0.566 732 Q N -1.187 118.504 119.800 -0.181 0.000 2.230 732 Q HA -0.085 4.255 4.340 0.000 0.000 0.202 732 Q C -0.184 175.815 176.000 -0.002 0.000 0.963 732 Q CA 1.003 56.764 55.803 -0.069 0.000 0.866 732 Q CB 0.044 28.724 28.738 -0.096 0.000 0.931 732 Q HN 0.282 nan 8.270 nan 0.000 0.452 733 D N 0.758 121.154 120.400 -0.007 0.000 3.058 733 D HA 0.130 4.770 4.640 0.000 0.000 0.272 733 D C -0.099 176.251 176.300 0.083 0.000 1.350 733 D CA 0.009 54.028 54.000 0.032 0.000 0.863 733 D CB 0.640 41.448 40.800 0.014 0.000 1.064 733 D HN 0.214 nan 8.370 nan 0.000 0.488 734 E N -0.020 120.241 120.200 0.102 0.000 2.676 734 E HA 0.001 4.351 4.350 0.000 0.000 0.225 734 E C -0.126 176.543 176.600 0.115 0.000 0.944 734 E CA -0.075 56.415 56.400 0.150 0.000 1.156 734 E CB 0.753 30.559 29.700 0.178 0.000 1.117 734 E HN 0.032 nan 8.360 nan 0.000 0.523 735 D N 0.779 121.230 120.400 0.084 0.000 2.723 735 D HA -0.194 4.446 4.640 0.000 0.000 0.236 735 D C 0.333 176.638 176.300 0.008 0.000 1.138 735 D CA 0.353 54.383 54.000 0.051 0.000 0.676 735 D CB -1.273 39.561 40.800 0.056 0.000 1.069 735 D HN 0.264 nan 8.370 nan 0.000 0.430 736 L N -0.407 120.805 121.223 -0.019 0.000 2.529 736 L HA 0.256 4.596 4.340 0.000 0.000 0.223 736 L C 1.787 178.467 176.870 -0.317 0.000 1.113 736 L CA 0.399 55.118 54.840 -0.201 0.000 0.861 736 L CB -0.116 41.747 42.059 -0.327 0.000 1.012 736 L HN 0.414 nan 8.230 nan 0.000 0.461 737 G N 1.226 109.944 108.800 -0.138 0.000 2.374 737 G HA2 -0.296 3.664 3.960 0.000 0.000 0.289 737 G HA3 -0.296 3.664 3.960 0.000 0.000 0.289 737 G C -0.211 174.596 174.900 -0.156 0.000 1.004 737 G CA -0.281 44.764 45.100 -0.092 0.000 1.292 737 G HN 0.094 nan 8.290 nan 0.000 0.502 738 F N -0.164 119.765 119.950 -0.036 0.000 2.429 738 F HA 0.473 5.000 4.527 0.000 0.000 0.348 738 F C 1.572 177.359 175.800 -0.021 0.000 1.109 738 F CA -0.567 57.410 58.000 -0.038 0.000 1.232 738 F CB 0.654 39.622 39.000 -0.053 0.000 1.157 738 F HN 0.175 nan 8.300 nan 0.000 0.564 739 L N 2.841 124.158 121.223 0.156 0.000 2.452 739 L HA 0.249 4.589 4.340 0.000 0.000 0.267 739 L C 1.207 178.140 176.870 0.105 0.000 1.188 739 L CA -0.351 54.548 54.840 0.100 0.000 0.821 739 L CB 0.546 42.651 42.059 0.077 0.000 1.102 739 L HN 0.886 nan 8.230 nan 0.000 0.470 740 A N 3.191 126.054 122.820 0.073 0.000 1.839 740 A HA 0.283 4.603 4.320 0.000 0.000 0.213 740 A C 1.138 178.758 177.584 0.061 0.000 1.274 740 A CA 1.106 53.179 52.037 0.059 0.000 0.608 740 A CB -0.780 18.247 19.000 0.045 0.000 0.920 740 A HN 1.245 nan 8.150 nan 0.000 0.465 741 A N 0.000 122.855 122.820 0.058 0.000 2.254 741 A HA 0.000 4.320 4.320 0.000 0.000 0.244 741 A CA 0.000 52.074 52.037 0.061 0.000 0.836 741 A CB 0.000 19.047 19.000 0.079 0.000 0.831 741 A HN 0.000 nan 8.150 nan 0.000 0.486