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 3mwt_1_A DATA FIRST_RESID 7 DATA SEQUENCE IKSFLWTQSL RRELSGYCSN IKLQVVKDAQ ALLHGLDFSE VSNVQRLMRK DATA SEQUENCE ERRDDNDLKR LRDLNQAVNN LVELKSTQQK SILRVGTLTS DDLLILAADL DATA SEQUENCE EKLKSKVIRT ERPLSAGVYM GNLSSQQLDQ RRALLNMIGM XXXXXXXXXX DATA SEQUENCE XDGVVRVWDV KNAELLNNQF GTMPSLTLAC LTKQGQVDLN DAVQALTDLG DATA SEQUENCE LIYTAKYPNT SDLDRLTQSH PILNMIDTKK SSLNISGYNF SLGAAVKAGA DATA SEQUENCE CMLDGGNMLE TIKVSPQTMD GILKSILKVK KALGMFISDT PGERNPYENI DATA SEQUENCE LYKICLSGDG WPYIASRTSI TGRAWENTVV DLXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXGLT YSQLMTLKDA MLQLDPNAKT WMDIEGRPED PVEIALYQPS DATA SEQUENCE SGCYIHFFRE PTDLKQFKQD AKYSHGIDVT DLFATQPGLT SAVIDALPRN DATA SEQUENCE MVITCQGSDD IRKLLESQGR KDIKLIDIAL SKTDSRKYEN AVWDQYKDLC DATA SEQUENCE HMHTGVVVEK XXXXXKEEIT PHCALMDCIM FDAAVSGGLX TSVLRAVLPR DATA SEQUENCE DMVFR 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 7 I HA 0.000 nan 4.170 nan 0.000 0.288 7 I C 0.000 176.117 176.117 0.000 0.000 1.063 7 I CA 0.000 61.308 61.300 0.014 0.000 1.566 7 I CB 0.000 37.995 38.000 -0.009 0.000 1.214 8 K N 1.919 122.267 120.400 -0.086 0.000 2.044 8 K HA -0.172 4.148 4.320 0.001 0.000 0.210 8 K C 1.563 177.905 176.600 -0.431 0.000 1.049 8 K CA 2.530 58.699 56.287 -0.197 0.000 0.927 8 K CB -0.118 32.230 32.500 -0.254 0.000 0.713 8 K HN 0.625 nan 8.250 nan 0.000 0.443 9 S N -0.422 115.024 115.700 -0.424 0.000 2.406 9 S HA -0.121 4.350 4.470 0.001 0.000 0.228 9 S C 1.769 176.325 174.600 -0.074 0.000 1.020 9 S CA 0.609 58.525 58.200 -0.474 0.000 0.965 9 S CB -0.429 62.577 63.200 -0.324 0.000 0.798 9 S HN 0.457 nan 8.310 nan 0.000 0.488 10 F N 1.611 121.527 119.950 -0.057 0.000 2.186 10 F HA 0.100 4.628 4.527 0.001 0.000 0.299 10 F C 1.800 177.652 175.800 0.086 0.000 1.090 10 F CA 0.899 58.933 58.000 0.057 0.000 1.307 10 F CB -0.483 38.561 39.000 0.074 0.000 1.019 10 F HN 0.279 nan 8.300 nan 0.000 0.489 11 L N -0.609 120.688 121.223 0.122 0.000 2.079 11 L HA -0.202 4.139 4.340 0.001 0.000 0.210 11 L C 1.867 178.861 176.870 0.206 0.000 1.081 11 L CA 1.820 56.739 54.840 0.131 0.000 0.752 11 L CB -1.240 40.938 42.059 0.199 0.000 0.896 11 L HN 0.205 nan 8.230 nan 0.000 0.433 12 W N -0.169 121.100 121.300 -0.051 0.000 2.355 12 W HA -0.124 4.536 4.660 0.000 0.000 0.309 12 W C 2.702 179.164 176.519 -0.095 0.000 1.206 12 W CA 1.684 58.995 57.345 -0.056 0.000 1.284 12 W CB -1.751 27.693 29.460 -0.026 0.000 1.145 12 W HN 0.081 nan 8.180 nan 0.000 0.502 13 T N 0.384 115.003 114.554 0.108 0.000 2.720 13 T HA -0.238 4.112 4.350 0.001 0.000 0.268 13 T C 1.770 176.333 174.700 -0.228 0.000 1.037 13 T CA 1.850 63.906 62.100 -0.074 0.000 1.144 13 T CB -0.352 68.423 68.868 -0.155 0.000 0.864 13 T HN 0.245 nan 8.240 nan 0.000 0.444 14 Q N 0.590 120.164 119.800 -0.376 0.000 2.084 14 Q HA -0.070 4.271 4.340 0.001 0.000 0.202 14 Q C 2.746 178.670 176.000 -0.127 0.000 0.978 14 Q CA 1.482 57.104 55.803 -0.302 0.000 0.844 14 Q CB -0.194 28.372 28.738 -0.288 0.000 0.898 14 Q HN 0.479 nan 8.270 nan 0.000 0.426 15 S N 1.209 116.869 115.700 -0.066 0.000 2.368 15 S HA -0.085 4.386 4.470 0.001 0.000 0.224 15 S C 2.053 176.634 174.600 -0.031 0.000 1.029 15 S CA 0.798 58.978 58.200 -0.033 0.000 0.988 15 S CB -0.254 62.934 63.200 -0.021 0.000 0.838 15 S HN 0.239 nan 8.310 nan 0.000 0.462 16 L N 1.173 122.384 121.223 -0.020 0.000 2.017 16 L HA -0.134 4.206 4.340 0.001 0.000 0.208 16 L C 2.812 179.683 176.870 0.002 0.000 1.073 16 L CA 1.327 56.171 54.840 0.006 0.000 0.745 16 L CB -0.474 41.616 42.059 0.051 0.000 0.894 16 L HN 0.228 nan 8.230 nan 0.000 0.432 17 R N -0.301 120.175 120.500 -0.040 0.000 2.112 17 R HA -0.215 4.126 4.340 0.001 0.000 0.242 17 R C 2.464 178.748 176.300 -0.026 0.000 1.137 17 R CA 1.770 57.840 56.100 -0.051 0.000 0.944 17 R CB -0.383 29.849 30.300 -0.114 0.000 0.857 17 R HN 0.352 nan 8.270 nan 0.000 0.435 18 R N 0.001 120.481 120.500 -0.032 0.000 2.075 18 R HA -0.147 4.194 4.340 0.001 0.000 0.232 18 R C 2.277 178.576 176.300 -0.002 0.000 1.126 18 R CA 1.412 57.501 56.100 -0.019 0.000 0.963 18 R CB -0.195 30.091 30.300 -0.022 0.000 0.858 18 R HN 0.139 nan 8.270 nan 0.000 0.435 19 E N 1.001 121.206 120.200 0.007 0.000 2.150 19 E HA -0.111 4.239 4.350 0.001 0.000 0.193 19 E C 1.225 177.867 176.600 0.070 0.000 0.985 19 E CA 1.175 57.591 56.400 0.027 0.000 0.814 19 E CB 0.039 29.752 29.700 0.022 0.000 0.752 19 E HN 0.268 nan 8.360 nan 0.000 0.466 20 L N 0.552 121.830 121.223 0.092 0.000 2.700 20 L HA 0.177 4.518 4.340 0.001 0.000 0.234 20 L C 1.837 178.796 176.870 0.148 0.000 1.156 20 L CA 0.438 55.396 54.840 0.197 0.000 0.946 20 L CB -0.030 42.144 42.059 0.191 0.000 1.216 20 L HN 0.101 nan 8.230 nan 0.000 0.493 21 S N -0.003 115.726 115.700 0.048 0.000 2.374 21 S HA -0.211 4.259 4.470 0.001 0.000 0.227 21 S C 2.114 176.699 174.600 -0.024 0.000 1.037 21 S CA 1.413 59.619 58.200 0.010 0.000 1.024 21 S CB -1.024 62.169 63.200 -0.013 0.000 0.861 21 S HN 0.465 nan 8.310 nan 0.000 0.456 22 G N -0.176 108.554 108.800 -0.116 0.000 2.499 22 G HA2 -0.140 3.820 3.960 0.001 0.000 0.221 22 G HA3 -0.140 3.820 3.960 0.001 0.000 0.221 22 G C 0.934 175.648 174.900 -0.310 0.000 1.109 22 G CA 0.898 45.841 45.100 -0.261 0.000 0.749 22 G HN 0.699 nan 8.290 nan 0.000 0.568 23 Y N -0.406 119.901 120.300 0.011 0.000 2.449 23 Y HA 0.311 4.861 4.550 0.001 0.000 0.254 23 Y C 1.713 177.633 175.900 0.033 0.000 1.140 23 Y CA -1.489 56.621 58.100 0.016 0.000 1.272 23 Y CB -0.287 38.182 38.460 0.016 0.000 1.114 23 Y HN 0.024 nan 8.280 nan 0.000 0.525 24 C N 1.274 120.663 119.300 0.148 0.000 2.604 24 C HA 0.592 5.052 4.460 0.001 0.000 0.396 24 C C 0.863 175.910 174.990 0.095 0.000 1.282 24 C CA -0.559 58.526 59.018 0.112 0.000 2.292 24 C CB 0.084 27.862 27.740 0.064 0.000 2.633 24 C HN 0.492 nan 8.230 nan 0.000 0.620 25 S N 1.214 116.980 115.700 0.109 0.000 2.685 25 S HA 0.469 4.940 4.470 0.001 0.000 0.282 25 S C -1.303 173.344 174.600 0.078 0.000 1.159 25 S CA -0.808 57.452 58.200 0.100 0.000 0.833 25 S CB 0.983 64.273 63.200 0.150 0.000 1.151 25 S HN 0.686 nan 8.310 nan 0.000 0.485 26 N N 1.495 120.233 118.700 0.063 0.000 2.602 26 N HA 0.300 5.041 4.740 0.001 0.000 0.238 26 N C -0.125 175.409 175.510 0.039 0.000 1.084 26 N CA -0.257 52.818 53.050 0.042 0.000 0.952 26 N CB 0.367 38.872 38.487 0.031 0.000 1.244 26 N HN 0.663 nan 8.380 nan 0.000 0.512 27 I N -1.038 119.548 120.570 0.028 0.000 3.927 27 I HA 0.190 4.360 4.170 0.001 0.000 0.332 27 I C 1.706 177.804 176.117 -0.032 0.000 1.485 27 I CA -0.436 60.858 61.300 -0.009 0.000 1.131 27 I CB 0.045 38.013 38.000 -0.053 0.000 1.092 27 I HN 0.142 nan 8.210 nan 0.000 0.410 28 K N 1.743 122.135 120.400 -0.013 0.000 2.077 28 K HA -0.242 4.078 4.320 0.001 0.000 0.213 28 K C 2.014 178.600 176.600 -0.023 0.000 1.051 28 K CA 2.429 58.707 56.287 -0.015 0.000 0.929 28 K CB -0.247 32.250 32.500 -0.004 0.000 0.715 28 K HN 0.580 nan 8.250 nan 0.000 0.451 29 L N 0.954 122.166 121.223 -0.019 0.000 1.989 29 L HA -0.266 4.074 4.340 0.001 0.000 0.211 29 L C 2.503 179.351 176.870 -0.036 0.000 1.071 29 L CA 1.683 56.511 54.840 -0.020 0.000 0.749 29 L CB -0.234 41.818 42.059 -0.011 0.000 0.890 29 L HN 0.362 nan 8.230 nan 0.000 0.431 30 Q N -1.166 118.600 119.800 -0.056 0.000 2.167 30 Q HA -0.156 4.184 4.340 0.001 0.000 0.202 30 Q C 2.179 178.112 176.000 -0.112 0.000 0.970 30 Q CA 1.487 57.234 55.803 -0.093 0.000 0.855 30 Q CB 0.051 28.705 28.738 -0.141 0.000 0.911 30 Q HN 0.480 nan 8.270 nan 0.000 0.438 31 V N -0.185 119.669 119.914 -0.101 0.000 2.323 31 V HA -0.206 3.914 4.120 0.001 0.000 0.244 31 V C 2.164 178.230 176.094 -0.047 0.000 1.041 31 V CA 1.269 63.516 62.300 -0.088 0.000 1.025 31 V CB -0.309 31.472 31.823 -0.071 0.000 0.656 31 V HN 0.167 nan 8.190 nan 0.000 0.451 32 V N 0.349 120.244 119.914 -0.032 0.000 2.332 32 V HA -0.312 3.808 4.120 0.001 0.000 0.248 32 V C 2.474 178.562 176.094 -0.010 0.000 1.055 32 V CA 2.442 64.734 62.300 -0.013 0.000 1.038 32 V CB -0.692 31.126 31.823 -0.009 0.000 0.651 32 V HN 0.597 nan 8.190 nan 0.000 0.450 33 K N -0.123 120.263 120.400 -0.023 0.000 2.057 33 K HA -0.249 4.071 4.320 0.001 0.000 0.207 33 K C 1.823 178.415 176.600 -0.013 0.000 1.049 33 K CA 2.101 58.377 56.287 -0.020 0.000 0.931 33 K CB -0.287 32.195 32.500 -0.029 0.000 0.714 33 K HN 0.407 nan 8.250 nan 0.000 0.440 34 D N 0.526 120.908 120.400 -0.029 0.000 2.117 34 D HA -0.117 4.524 4.640 0.001 0.000 0.197 34 D C 1.803 178.113 176.300 0.017 0.000 0.987 34 D CA 1.408 55.397 54.000 -0.019 0.000 0.829 34 D CB -0.244 40.524 40.800 -0.054 0.000 0.961 34 D HN 0.382 nan 8.370 nan 0.000 0.460 35 A N 0.593 123.426 122.820 0.021 0.000 1.940 35 A HA -0.252 4.069 4.320 0.001 0.000 0.219 35 A C 2.099 179.733 177.584 0.083 0.000 1.176 35 A CA 1.549 53.622 52.037 0.060 0.000 0.631 35 A CB -0.608 18.420 19.000 0.047 0.000 0.814 35 A HN 0.251 nan 8.150 nan 0.000 0.446 36 Q N -0.808 119.025 119.800 0.054 0.000 2.084 36 Q HA -0.083 4.258 4.340 0.001 0.000 0.202 36 Q C 2.396 178.452 176.000 0.093 0.000 0.978 36 Q CA 1.370 57.208 55.803 0.059 0.000 0.844 36 Q CB -0.360 28.391 28.738 0.021 0.000 0.898 36 Q HN 0.698 nan 8.270 nan 0.000 0.426 37 A N 0.542 123.409 122.820 0.077 0.000 1.969 37 A HA -0.114 4.206 4.320 0.001 0.000 0.218 37 A C 2.008 179.680 177.584 0.146 0.000 1.169 37 A CA 0.888 52.987 52.037 0.104 0.000 0.635 37 A CB -0.470 18.565 19.000 0.059 0.000 0.810 37 A HN 0.262 nan 8.150 nan 0.000 0.445 38 L N -0.798 120.509 121.223 0.140 0.000 2.027 38 L HA -0.136 4.205 4.340 0.001 0.000 0.206 38 L C 2.490 179.552 176.870 0.319 0.000 1.074 38 L CA 0.949 55.889 54.840 0.167 0.000 0.745 38 L CB -0.549 41.605 42.059 0.158 0.000 0.898 38 L HN 0.342 nan 8.230 nan 0.000 0.433 39 L N -0.710 120.721 121.223 0.346 0.000 2.129 39 L HA -0.300 4.041 4.340 0.001 0.000 0.212 39 L C 2.596 179.637 176.870 0.285 0.000 1.087 39 L CA 1.378 56.410 54.840 0.319 0.000 0.757 39 L CB -0.525 41.619 42.059 0.142 0.000 0.896 39 L HN 0.363 nan 8.230 nan 0.000 0.434 40 H N -1.210 117.943 119.070 0.138 0.000 2.482 40 H HA 0.022 4.579 4.556 0.001 0.000 0.286 40 H C 1.810 177.194 175.328 0.093 0.000 1.017 40 H CA 1.294 57.398 56.048 0.093 0.000 1.322 40 H CB 0.325 30.122 29.762 0.058 0.000 1.426 40 H HN 0.189 nan 8.280 nan 0.000 0.546 41 G N -0.687 108.159 108.800 0.077 0.000 2.727 41 G HA2 0.121 4.081 3.960 0.001 0.000 0.207 41 G HA3 0.121 4.081 3.960 0.001 0.000 0.207 41 G C -0.336 174.553 174.900 -0.018 0.000 1.060 41 G CA -0.178 44.920 45.100 -0.002 0.000 0.814 41 G HN 0.215 nan 8.290 nan 0.000 0.576 42 L N 1.648 122.864 121.223 -0.012 0.000 2.334 42 L HA 0.519 4.859 4.340 0.001 0.000 0.277 42 L C -0.932 175.832 176.870 -0.177 0.000 1.075 42 L CA -0.947 53.782 54.840 -0.186 0.000 0.804 42 L CB 1.690 43.478 42.059 -0.451 0.000 1.174 42 L HN -0.062 nan 8.230 nan 0.000 0.438 43 D N 3.180 123.467 120.400 -0.187 0.000 2.374 43 D HA 0.053 4.693 4.640 0.001 0.000 0.240 43 D C 0.682 176.888 176.300 -0.157 0.000 1.229 43 D CA 0.197 54.143 54.000 -0.090 0.000 0.895 43 D CB 0.133 40.891 40.800 -0.070 0.000 1.046 43 D HN 0.419 nan 8.370 nan 0.000 0.498 44 F N 1.492 121.440 119.950 -0.003 0.000 2.502 44 F HA -0.116 4.413 4.527 0.003 0.000 0.298 44 F C 2.666 178.465 175.800 -0.001 0.000 1.111 44 F CA 0.719 58.724 58.000 0.009 0.000 1.445 44 F CB -0.100 38.922 39.000 0.037 0.000 1.081 44 F HN 0.402 nan 8.300 nan 0.000 0.558 45 S N -0.350 115.425 115.700 0.125 0.000 2.402 45 S HA -0.212 4.259 4.470 0.001 0.000 0.229 45 S C 1.942 176.542 174.600 0.000 0.000 1.021 45 S CA 1.344 59.580 58.200 0.060 0.000 0.974 45 S CB -0.297 62.929 63.200 0.043 0.000 0.800 45 S HN 0.331 nan 8.310 nan 0.000 0.484 46 E N 1.220 121.390 120.200 -0.050 0.000 2.152 46 E HA 0.030 4.381 4.350 0.001 0.000 0.192 46 E C 1.853 178.341 176.600 -0.185 0.000 0.983 46 E CA 0.853 57.185 56.400 -0.112 0.000 0.818 46 E CB -0.570 29.047 29.700 -0.138 0.000 0.758 46 E HN 0.383 nan 8.360 nan 0.000 0.467 47 V N 0.142 119.940 119.914 -0.194 0.000 2.261 47 V HA -0.262 3.858 4.120 0.001 0.000 0.246 47 V C 2.416 178.457 176.094 -0.089 0.000 1.047 47 V CA 1.959 64.114 62.300 -0.241 0.000 1.015 47 V CB -0.860 30.922 31.823 -0.068 0.000 0.642 47 V HN 0.377 nan 8.190 nan 0.000 0.446 48 S N 0.330 116.047 115.700 0.028 0.000 2.387 48 S HA -0.310 4.160 4.470 0.001 0.000 0.230 48 S C 1.928 176.533 174.600 0.008 0.000 1.035 48 S CA 2.385 60.617 58.200 0.053 0.000 1.014 48 S CB -0.592 62.657 63.200 0.082 0.000 0.836 48 S HN 0.679 nan 8.310 nan 0.000 0.466 49 N N 0.403 119.084 118.700 -0.032 0.000 2.142 49 N HA -0.026 4.714 4.740 0.001 0.000 0.186 49 N C 1.574 177.056 175.510 -0.045 0.000 1.023 49 N CA 1.600 54.630 53.050 -0.033 0.000 0.852 49 N CB -0.485 37.977 38.487 -0.042 0.000 0.998 49 N HN 0.284 nan 8.380 nan 0.000 0.424 50 V N 0.831 120.677 119.914 -0.112 0.000 2.427 50 V HA -0.210 3.910 4.120 0.001 0.000 0.248 50 V C 2.155 178.243 176.094 -0.010 0.000 1.051 50 V CA 1.567 63.803 62.300 -0.108 0.000 1.048 50 V CB -0.606 31.032 31.823 -0.308 0.000 0.666 50 V HN 0.411 nan 8.190 nan 0.000 0.456 51 Q N -0.214 119.590 119.800 0.007 0.000 2.096 51 Q HA -0.251 4.089 4.340 0.001 0.000 0.204 51 Q C 2.434 178.473 176.000 0.065 0.000 0.982 51 Q CA 1.912 57.762 55.803 0.079 0.000 0.850 51 Q CB -0.371 28.441 28.738 0.122 0.000 0.901 51 Q HN 0.568 nan 8.270 nan 0.000 0.422 52 R N 0.905 121.430 120.500 0.040 0.000 2.105 52 R HA -0.157 4.184 4.340 0.001 0.000 0.239 52 R C 1.997 178.308 176.300 0.018 0.000 1.135 52 R CA 1.205 57.322 56.100 0.028 0.000 0.967 52 R CB -0.178 30.133 30.300 0.018 0.000 0.861 52 R HN 0.264 nan 8.270 nan 0.000 0.442 53 L N -0.064 121.172 121.223 0.021 0.000 2.109 53 L HA -0.102 4.238 4.340 0.001 0.000 0.207 53 L C 2.399 179.271 176.870 0.005 0.000 1.086 53 L CA 0.662 55.509 54.840 0.011 0.000 0.760 53 L CB -0.281 41.803 42.059 0.041 0.000 0.910 53 L HN 0.246 nan 8.230 nan 0.000 0.437 54 M N -0.583 119.055 119.600 0.063 0.000 2.557 54 M HA -0.079 4.402 4.480 0.001 0.000 0.259 54 M C 2.107 178.430 176.300 0.037 0.000 1.086 54 M CA 1.296 56.649 55.300 0.089 0.000 1.096 54 M CB -0.853 31.852 32.600 0.175 0.000 1.424 54 M HN 0.198 nan 8.290 nan 0.000 0.488 55 R N 0.219 120.732 120.500 0.023 0.000 2.161 55 R HA 0.050 4.391 4.340 0.001 0.000 0.213 55 R C 0.459 176.743 176.300 -0.026 0.000 1.055 55 R CA 0.312 56.417 56.100 0.009 0.000 0.996 55 R CB 0.175 30.488 30.300 0.021 0.000 0.901 55 R HN 0.354 nan 8.270 nan 0.000 0.456 56 K N 1.086 121.456 120.400 -0.050 0.000 2.469 56 K HA -0.077 4.244 4.320 0.001 0.000 0.274 56 K C 0.637 177.168 176.600 -0.115 0.000 0.983 56 K CA 0.370 56.609 56.287 -0.080 0.000 0.974 56 K CB 0.521 32.959 32.500 -0.103 0.000 0.913 56 K HN 0.153 nan 8.250 nan 0.000 0.493 57 E N 1.663 121.802 120.200 -0.101 0.000 2.230 57 E HA -0.062 4.289 4.350 0.001 0.000 0.192 57 E C -0.117 176.389 176.600 -0.156 0.000 0.987 57 E CA 0.736 57.070 56.400 -0.111 0.000 0.841 57 E CB 0.328 29.984 29.700 -0.073 0.000 0.783 57 E HN 0.310 nan 8.360 nan 0.000 0.481 58 R N 1.075 121.480 120.500 -0.158 0.000 2.439 58 R HA 0.480 4.821 4.340 0.001 0.000 0.310 58 R C -0.559 175.603 176.300 -0.230 0.000 0.955 58 R CA -0.451 55.547 56.100 -0.171 0.000 0.853 58 R CB 1.919 32.164 30.300 -0.092 0.000 1.171 58 R HN -0.113 nan 8.270 nan 0.000 0.449 59 R N 0.991 121.269 120.500 -0.370 0.000 2.778 59 R HA 0.322 4.663 4.340 0.001 0.000 0.277 59 R C -0.550 175.674 176.300 -0.127 0.000 0.977 59 R CA -0.770 55.077 56.100 -0.421 0.000 0.950 59 R CB 1.363 30.978 30.300 -1.141 0.000 1.165 59 R HN 0.669 nan 8.270 nan 0.000 0.474 60 D N -1.080 119.350 120.400 0.049 0.000 2.758 60 D HA 0.149 4.790 4.640 0.001 0.000 0.262 60 D C -0.081 176.378 176.300 0.265 0.000 1.113 60 D CA -0.586 53.514 54.000 0.165 0.000 1.114 60 D CB 0.268 41.122 40.800 0.089 0.000 1.363 60 D HN 0.213 nan 8.370 nan 0.000 0.617 61 D N -0.935 119.579 120.400 0.191 0.000 2.144 61 D HA -0.103 4.538 4.640 0.001 0.000 0.199 61 D C 1.268 177.649 176.300 0.135 0.000 0.984 61 D CA 0.899 54.997 54.000 0.164 0.000 0.834 61 D CB -0.030 40.836 40.800 0.111 0.000 0.955 61 D HN 0.296 nan 8.370 nan 0.000 0.465 62 N N 1.193 119.957 118.700 0.108 0.000 2.188 62 N HA -0.110 4.631 4.740 0.001 0.000 0.184 62 N C 1.262 176.832 175.510 0.101 0.000 1.018 62 N CA 0.705 53.803 53.050 0.080 0.000 0.858 62 N CB -0.236 38.284 38.487 0.055 0.000 0.989 62 N HN 0.268 nan 8.380 nan 0.000 0.426 63 D N 0.866 121.351 120.400 0.143 0.000 2.117 63 D HA -0.129 4.512 4.640 0.001 0.000 0.197 63 D C 2.060 178.533 176.300 0.289 0.000 0.987 63 D CA 0.514 54.630 54.000 0.193 0.000 0.829 63 D CB -0.266 40.644 40.800 0.183 0.000 0.961 63 D HN 0.134 nan 8.370 nan 0.000 0.460 64 L N 1.511 122.950 121.223 0.360 0.000 2.046 64 L HA -0.159 4.181 4.340 0.001 0.000 0.208 64 L C 2.211 179.110 176.870 0.048 0.000 1.077 64 L CA 1.772 56.721 54.840 0.182 0.000 0.747 64 L CB -0.513 41.587 42.059 0.067 0.000 0.896 64 L HN -0.108 nan 8.230 nan 0.000 0.432 65 K N -1.020 119.414 120.400 0.056 0.000 2.032 65 K HA -0.204 4.116 4.320 0.001 0.000 0.209 65 K C 2.232 178.831 176.600 -0.000 0.000 1.048 65 K CA 1.134 57.430 56.287 0.016 0.000 0.927 65 K CB -0.152 32.362 32.500 0.023 0.000 0.712 65 K HN 0.205 nan 8.250 nan 0.000 0.441 66 R N 0.817 121.326 120.500 0.015 0.000 2.094 66 R HA -0.189 4.152 4.340 0.001 0.000 0.239 66 R C 2.453 178.727 176.300 -0.043 0.000 1.137 66 R CA 1.558 57.649 56.100 -0.014 0.000 0.943 66 R CB -1.173 29.127 30.300 -0.001 0.000 0.850 66 R HN 0.330 nan 8.270 nan 0.000 0.433 67 L N 1.419 122.631 121.223 -0.018 0.000 1.989 67 L HA -0.186 4.155 4.340 0.001 0.000 0.211 67 L C 2.379 179.201 176.870 -0.079 0.000 1.071 67 L CA 1.837 56.646 54.840 -0.051 0.000 0.749 67 L CB -0.422 41.610 42.059 -0.045 0.000 0.890 67 L HN 0.030 nan 8.230 nan 0.000 0.431 68 R N -0.555 119.890 120.500 -0.093 0.000 2.096 68 R HA -0.136 4.205 4.340 0.001 0.000 0.235 68 R C 1.895 178.159 176.300 -0.060 0.000 1.127 68 R CA 1.382 57.426 56.100 -0.093 0.000 0.968 68 R CB -0.421 29.825 30.300 -0.091 0.000 0.861 68 R HN 0.458 nan 8.270 nan 0.000 0.440 69 D N 0.484 120.853 120.400 -0.052 0.000 2.149 69 D HA -0.119 4.521 4.640 0.001 0.000 0.201 69 D C 1.750 178.017 176.300 -0.055 0.000 0.972 69 D CA 0.738 54.710 54.000 -0.047 0.000 0.835 69 D CB -0.071 40.704 40.800 -0.041 0.000 0.966 69 D HN 0.044 nan 8.370 nan 0.000 0.476 70 L N 1.034 122.212 121.223 -0.075 0.000 2.093 70 L HA -0.071 4.270 4.340 0.001 0.000 0.208 70 L C 1.570 178.438 176.870 -0.004 0.000 1.085 70 L CA 1.445 56.228 54.840 -0.095 0.000 0.755 70 L CB -0.503 41.415 42.059 -0.235 0.000 0.904 70 L HN -0.120 nan 8.230 nan 0.000 0.435 71 N N -0.451 118.269 118.700 0.034 0.000 2.120 71 N HA -0.229 4.512 4.740 0.001 0.000 0.188 71 N C 1.847 177.356 175.510 -0.002 0.000 1.024 71 N CA 1.281 54.358 53.050 0.045 0.000 0.852 71 N CB -0.297 38.181 38.487 -0.015 0.000 1.003 71 N HN 0.396 nan 8.380 nan 0.000 0.424 72 Q N 0.878 120.666 119.800 -0.021 0.000 2.124 72 Q HA 0.068 4.408 4.340 0.001 0.000 0.202 72 Q C 1.811 177.799 176.000 -0.020 0.000 0.977 72 Q CA 1.662 57.452 55.803 -0.023 0.000 0.850 72 Q CB -0.537 28.185 28.738 -0.027 0.000 0.901 72 Q HN 0.353 nan 8.270 nan 0.000 0.429 73 A N -0.696 122.108 122.820 -0.027 0.000 1.902 73 A HA -0.146 4.174 4.320 0.001 0.000 0.217 73 A C 2.261 179.829 177.584 -0.026 0.000 1.181 73 A CA 1.758 53.775 52.037 -0.034 0.000 0.623 73 A CB -0.859 18.107 19.000 -0.058 0.000 0.818 73 A HN 0.265 nan 8.150 nan 0.000 0.443 74 V N 0.591 120.497 119.914 -0.012 0.000 2.343 74 V HA -0.268 3.852 4.120 0.001 0.000 0.247 74 V C 2.387 178.476 176.094 -0.009 0.000 1.051 74 V CA 2.335 64.632 62.300 -0.006 0.000 1.036 74 V CB -1.182 30.651 31.823 0.017 0.000 0.654 74 V HN 0.785 nan 8.190 nan 0.000 0.451 75 N N 0.809 119.503 118.700 -0.009 0.000 2.120 75 N HA -0.195 4.546 4.740 0.001 0.000 0.188 75 N C 1.629 177.138 175.510 -0.002 0.000 1.024 75 N CA 1.539 54.584 53.050 -0.007 0.000 0.852 75 N CB -0.231 38.251 38.487 -0.009 0.000 1.003 75 N HN 0.406 nan 8.380 nan 0.000 0.424 76 N N -0.024 118.674 118.700 -0.004 0.000 2.258 76 N HA -0.119 4.621 4.740 0.001 0.000 0.187 76 N C 1.089 176.603 175.510 0.006 0.000 1.012 76 N CA 0.839 53.889 53.050 0.000 0.000 0.870 76 N CB -0.110 38.375 38.487 -0.004 0.000 0.977 76 N HN 0.412 nan 8.380 nan 0.000 0.434 77 L N -0.110 121.116 121.223 0.005 0.000 2.590 77 L HA 0.160 4.501 4.340 0.001 0.000 0.227 77 L C 0.393 177.269 176.870 0.010 0.000 1.099 77 L CA -0.138 54.710 54.840 0.014 0.000 0.872 77 L CB 0.333 42.404 42.059 0.019 0.000 1.088 77 L HN -0.088 nan 8.230 nan 0.000 0.479 78 V N -4.178 115.735 119.914 -0.001 0.000 2.834 78 V HA 0.342 4.462 4.120 0.001 0.000 0.313 78 V C 0.635 176.716 176.094 -0.022 0.000 1.060 78 V CA -0.609 61.680 62.300 -0.017 0.000 0.989 78 V CB 1.834 33.639 31.823 -0.030 0.000 1.041 78 V HN 0.109 nan 8.190 nan 0.000 0.459 79 E N 1.415 121.585 120.200 -0.051 0.000 2.307 79 E HA 0.281 4.631 4.350 0.001 0.000 0.195 79 E C 0.117 176.656 176.600 -0.101 0.000 0.975 79 E CA 0.135 56.506 56.400 -0.049 0.000 0.878 79 E CB 0.379 30.049 29.700 -0.050 0.000 0.845 79 E HN 0.641 nan 8.360 nan 0.000 0.488 80 L N 2.859 123.952 121.223 -0.216 0.000 2.358 80 L HA 0.209 4.550 4.340 0.001 0.000 0.274 80 L C -0.259 176.565 176.870 -0.076 0.000 1.136 80 L CA 0.031 54.629 54.840 -0.404 0.000 0.970 80 L CB 0.123 41.817 42.059 -0.609 0.000 1.314 80 L HN -0.156 nan 8.230 nan 0.000 0.427 81 K N 1.285 121.761 120.400 0.128 0.000 2.328 81 K HA 0.608 4.928 4.320 0.001 0.000 0.246 81 K C -0.593 176.183 176.600 0.293 0.000 0.955 81 K CA -0.822 55.567 56.287 0.171 0.000 0.817 81 K CB 2.403 34.967 32.500 0.108 0.000 1.208 81 K HN 0.177 nan 8.250 nan 0.000 0.432 82 S N 0.681 116.491 115.700 0.183 0.000 2.616 82 S HA 0.387 4.858 4.470 0.001 0.000 0.277 82 S C -0.360 174.273 174.600 0.056 0.000 1.234 82 S CA -0.570 57.703 58.200 0.120 0.000 1.028 82 S CB 1.324 64.567 63.200 0.071 0.000 0.988 82 S HN 0.466 nan 8.310 nan 0.000 0.522 83 T N 2.182 116.744 114.554 0.014 0.000 2.918 83 T HA 0.341 4.692 4.350 0.001 0.000 0.286 83 T C -0.311 174.371 174.700 -0.029 0.000 1.026 83 T CA -0.618 61.480 62.100 -0.003 0.000 1.031 83 T CB 1.333 70.197 68.868 -0.007 0.000 1.046 83 T HN 0.484 nan 8.240 nan 0.000 0.479 84 Q N 2.040 121.822 119.800 -0.031 0.000 2.255 84 Q HA 0.261 4.602 4.340 0.001 0.000 0.280 84 Q C -0.803 175.167 176.000 -0.049 0.000 1.068 84 Q CA 0.475 56.251 55.803 -0.045 0.000 0.911 84 Q CB 0.305 29.019 28.738 -0.040 0.000 1.157 84 Q HN 0.500 nan 8.270 nan 0.000 0.380 85 Q N 2.599 122.361 119.800 -0.063 0.000 2.487 85 Q HA 0.246 4.586 4.340 0.001 0.000 0.234 85 Q C -1.911 174.044 176.000 -0.074 0.000 0.828 85 Q CA -0.285 55.479 55.803 -0.064 0.000 0.907 85 Q CB 0.900 29.597 28.738 -0.069 0.000 1.462 85 Q HN 0.629 nan 8.270 nan 0.000 0.442 86 K N 1.511 121.872 120.400 -0.065 0.000 2.185 86 K HA 0.691 5.012 4.320 0.001 0.000 0.271 86 K C -0.827 175.736 176.600 -0.061 0.000 1.013 86 K CA -0.122 56.125 56.287 -0.067 0.000 0.943 86 K CB 0.750 33.216 32.500 -0.056 0.000 0.998 86 K HN 0.633 nan 8.250 nan 0.000 0.468 87 S N 3.155 118.817 115.700 -0.063 0.000 2.521 87 S HA 0.501 4.972 4.470 0.001 0.000 0.295 87 S C -0.718 173.857 174.600 -0.041 0.000 1.098 87 S CA -0.757 57.411 58.200 -0.054 0.000 0.999 87 S CB 0.984 64.145 63.200 -0.065 0.000 1.034 87 S HN 0.498 nan 8.310 nan 0.000 0.483 88 I N 3.067 123.618 120.570 -0.032 0.000 2.382 88 I HA 0.334 4.505 4.170 0.001 0.000 0.285 88 I C -0.823 175.282 176.117 -0.019 0.000 1.007 88 I CA -0.424 60.863 61.300 -0.021 0.000 1.142 88 I CB 1.005 38.994 38.000 -0.017 0.000 1.289 88 I HN 0.352 nan 8.210 nan 0.000 0.453 89 L N 6.856 128.070 121.223 -0.015 0.000 2.290 89 L HA 0.544 4.884 4.340 0.001 0.000 0.284 89 L C 0.279 177.144 176.870 -0.007 0.000 1.078 89 L CA -0.334 54.498 54.840 -0.013 0.000 0.815 89 L CB 0.513 42.566 42.059 -0.011 0.000 1.162 89 L HN 0.589 nan 8.230 nan 0.000 0.435 90 R N 1.459 121.955 120.500 -0.008 0.000 2.888 90 R HA 0.578 4.919 4.340 0.001 0.000 0.266 90 R C -1.046 175.252 176.300 -0.004 0.000 1.020 90 R CA -1.040 55.057 56.100 -0.005 0.000 0.963 90 R CB 2.546 32.843 30.300 -0.006 0.000 1.197 90 R HN 0.280 nan 8.270 nan 0.000 0.481 91 V N 1.774 121.687 119.914 -0.002 0.000 2.599 91 V HA 0.285 4.406 4.120 0.001 0.000 0.300 91 V C 0.984 177.077 176.094 -0.002 0.000 1.034 91 V CA 1.217 63.516 62.300 -0.002 0.000 1.115 91 V CB 0.633 32.456 31.823 -0.001 0.000 0.934 91 V HN 1.115 nan 8.190 nan 0.000 0.485 92 G N 3.279 112.078 108.800 -0.001 0.000 2.687 92 G HA2 -0.008 3.953 3.960 0.001 0.000 0.106 92 G HA3 -0.008 3.953 3.960 0.001 0.000 0.106 92 G C 0.793 175.693 174.900 0.001 0.000 1.082 92 G CA 0.416 45.515 45.100 -0.001 0.000 1.394 92 G HN 0.424 nan 8.290 nan 0.000 0.627 93 T N 1.596 116.152 114.554 0.002 0.000 2.720 93 T HA 0.041 4.392 4.350 0.001 0.000 0.268 93 T C 1.264 175.966 174.700 0.005 0.000 1.037 93 T CA 0.920 63.023 62.100 0.006 0.000 1.144 93 T CB -0.357 68.516 68.868 0.009 0.000 0.864 93 T HN 0.147 nan 8.240 nan 0.000 0.444 94 L N 2.462 123.686 121.223 0.001 0.000 2.331 94 L HA 0.272 4.613 4.340 0.001 0.000 0.278 94 L C 1.165 178.036 176.870 0.001 0.000 1.106 94 L CA -0.764 54.077 54.840 0.001 0.000 0.824 94 L CB 0.853 42.911 42.059 -0.001 0.000 1.142 94 L HN 0.267 nan 8.230 nan 0.000 0.443 95 T N -1.194 113.361 114.554 0.001 0.000 2.788 95 T HA 0.067 4.418 4.350 0.001 0.000 0.280 95 T C 1.216 175.917 174.700 0.001 0.000 0.984 95 T CA -0.078 62.023 62.100 0.000 0.000 0.972 95 T CB 1.498 70.366 68.868 -0.001 0.000 1.039 95 T HN 0.547 nan 8.240 nan 0.000 0.530 96 S N -0.327 115.373 115.700 0.000 0.000 2.356 96 S HA -0.168 4.302 4.470 0.001 0.000 0.223 96 S C 1.724 176.325 174.600 0.002 0.000 1.032 96 S CA 1.954 60.155 58.200 0.001 0.000 1.005 96 S CB -1.047 62.153 63.200 -0.000 0.000 0.867 96 S HN 0.882 nan 8.310 nan 0.000 0.449 97 D N 0.709 121.110 120.400 0.000 0.000 2.144 97 D HA -0.110 4.530 4.640 0.001 0.000 0.199 97 D C 1.548 177.850 176.300 0.004 0.000 0.984 97 D CA 1.448 55.449 54.000 0.001 0.000 0.834 97 D CB -0.307 40.492 40.800 -0.002 0.000 0.955 97 D HN 0.365 nan 8.370 nan 0.000 0.465 98 D N -0.140 120.262 120.400 0.003 0.000 2.104 98 D HA -0.153 4.487 4.640 0.001 0.000 0.194 98 D C 2.269 178.577 176.300 0.013 0.000 0.994 98 D CA 0.673 54.677 54.000 0.007 0.000 0.830 98 D CB -0.345 40.458 40.800 0.004 0.000 0.959 98 D HN 0.326 nan 8.370 nan 0.000 0.452 99 L N 0.196 121.425 121.223 0.010 0.000 2.083 99 L HA -0.145 4.195 4.340 0.001 0.000 0.209 99 L C 2.604 179.485 176.870 0.017 0.000 1.083 99 L CA 0.593 55.440 54.840 0.012 0.000 0.752 99 L CB -0.365 41.698 42.059 0.008 0.000 0.899 99 L HN 0.053 nan 8.230 nan 0.000 0.433 100 L N -0.479 120.753 121.223 0.014 0.000 2.056 100 L HA -0.224 4.116 4.340 0.001 0.000 0.207 100 L C 2.467 179.352 176.870 0.024 0.000 1.078 100 L CA 1.285 56.134 54.840 0.016 0.000 0.749 100 L CB -0.309 41.756 42.059 0.010 0.000 0.901 100 L HN 0.193 nan 8.230 nan 0.000 0.433 101 I N -0.442 120.144 120.570 0.027 0.000 2.179 101 I HA -0.317 3.854 4.170 0.001 0.000 0.242 101 I C 2.389 178.542 176.117 0.061 0.000 1.088 101 I CA 1.355 62.680 61.300 0.041 0.000 1.357 101 I CB -0.242 37.778 38.000 0.033 0.000 1.051 101 I HN 0.194 nan 8.210 nan 0.000 0.409 102 L N 0.472 121.728 121.223 0.054 0.000 2.079 102 L HA -0.231 4.109 4.340 0.001 0.000 0.210 102 L C 2.841 179.741 176.870 0.049 0.000 1.081 102 L CA 1.309 56.184 54.840 0.060 0.000 0.752 102 L CB -0.783 41.301 42.059 0.041 0.000 0.896 102 L HN 0.268 nan 8.230 nan 0.000 0.433 103 A N 0.115 122.959 122.820 0.038 0.000 1.877 103 A HA -0.183 4.138 4.320 0.001 0.000 0.216 103 A C 2.550 180.154 177.584 0.034 0.000 1.186 103 A CA 1.818 53.875 52.037 0.033 0.000 0.620 103 A CB -0.737 18.278 19.000 0.025 0.000 0.822 103 A HN 0.398 nan 8.150 nan 0.000 0.443 104 A N -0.224 122.620 122.820 0.039 0.000 1.933 104 A HA -0.164 4.156 4.320 0.001 0.000 0.218 104 A C 1.762 179.381 177.584 0.058 0.000 1.175 104 A CA 1.929 53.992 52.037 0.044 0.000 0.628 104 A CB -0.535 18.493 19.000 0.047 0.000 0.814 104 A HN 0.455 nan 8.150 nan 0.000 0.444 105 D N -0.106 120.341 120.400 0.078 0.000 2.149 105 D HA -0.039 4.601 4.640 0.001 0.000 0.201 105 D C 1.881 178.205 176.300 0.041 0.000 0.972 105 D CA 0.760 54.815 54.000 0.091 0.000 0.835 105 D CB -0.274 40.621 40.800 0.158 0.000 0.966 105 D HN 0.436 nan 8.370 nan 0.000 0.476 106 L N 0.693 121.940 121.223 0.040 0.000 2.201 106 L HA -0.091 4.250 4.340 0.001 0.000 0.212 106 L C 2.381 179.248 176.870 -0.005 0.000 1.105 106 L CA 0.858 55.729 54.840 0.051 0.000 0.775 106 L CB -0.138 41.974 42.059 0.088 0.000 0.913 106 L HN -0.030 nan 8.230 nan 0.000 0.440 107 E N 0.525 120.710 120.200 -0.026 0.000 2.107 107 E HA -0.169 4.181 4.350 0.001 0.000 0.191 107 E C 2.055 178.598 176.600 -0.095 0.000 0.982 107 E CA 0.923 57.269 56.400 -0.089 0.000 0.809 107 E CB 0.213 29.886 29.700 -0.045 0.000 0.756 107 E HN 0.482 nan 8.360 nan 0.000 0.459 108 K N 0.374 120.762 120.400 -0.020 0.000 2.103 108 K HA -0.126 4.194 4.320 0.001 0.000 0.204 108 K C 2.236 178.822 176.600 -0.023 0.000 1.052 108 K CA 0.510 56.801 56.287 0.006 0.000 0.945 108 K CB -0.142 32.411 32.500 0.088 0.000 0.722 108 K HN 0.037 nan 8.250 nan 0.000 0.443 109 L N 2.366 123.580 121.223 -0.016 0.000 2.056 109 L HA -0.162 4.179 4.340 0.001 0.000 0.207 109 L C 2.391 179.236 176.870 -0.041 0.000 1.078 109 L CA 1.789 56.641 54.840 0.021 0.000 0.749 109 L CB -0.479 41.631 42.059 0.086 0.000 0.901 109 L HN 0.050 nan 8.230 nan 0.000 0.433 110 K N -1.161 119.073 120.400 -0.278 0.000 2.034 110 K HA -0.253 4.067 4.320 0.001 0.000 0.214 110 K C 2.332 178.609 176.600 -0.538 0.000 1.051 110 K CA 2.041 57.759 56.287 -0.947 0.000 0.931 110 K CB -0.489 31.188 32.500 -1.372 0.000 0.715 110 K HN 0.407 nan 8.250 nan 0.000 0.446 111 S N 0.337 115.843 115.700 -0.324 0.000 2.368 111 S HA -0.131 4.339 4.470 0.001 0.000 0.224 111 S C 2.031 176.559 174.600 -0.120 0.000 1.029 111 S CA 1.243 59.318 58.200 -0.209 0.000 0.988 111 S CB -0.287 62.808 63.200 -0.174 0.000 0.838 111 S HN 0.357 nan 8.310 nan 0.000 0.462 112 K N 0.838 121.195 120.400 -0.073 0.000 2.057 112 K HA -0.043 4.278 4.320 0.001 0.000 0.207 112 K C 1.994 178.581 176.600 -0.021 0.000 1.049 112 K CA 1.560 57.832 56.287 -0.025 0.000 0.931 112 K CB -0.552 31.957 32.500 0.015 0.000 0.714 112 K HN 0.387 nan 8.250 nan 0.000 0.440 113 V N 1.608 121.520 119.914 -0.004 0.000 2.323 113 V HA -0.219 3.902 4.120 0.001 0.000 0.244 113 V C 2.475 178.593 176.094 0.040 0.000 1.041 113 V CA 1.486 63.801 62.300 0.025 0.000 1.025 113 V CB -0.314 31.602 31.823 0.155 0.000 0.656 113 V HN 0.231 nan 8.190 nan 0.000 0.451 114 I N -0.286 120.307 120.570 0.038 0.000 2.163 114 I HA -0.254 3.916 4.170 0.001 0.000 0.243 114 I C 2.742 178.861 176.117 0.004 0.000 1.085 114 I CA 1.635 62.960 61.300 0.042 0.000 1.347 114 I CB -0.415 37.584 38.000 -0.002 0.000 1.044 114 I HN 0.196 nan 8.210 nan 0.000 0.408 115 R N -0.165 120.320 120.500 -0.025 0.000 2.193 115 R HA -0.108 4.233 4.340 0.001 0.000 0.229 115 R C 2.113 178.403 176.300 -0.017 0.000 1.110 115 R CA 1.630 57.714 56.100 -0.027 0.000 0.988 115 R CB -0.453 29.822 30.300 -0.043 0.000 0.871 115 R HN 0.403 nan 8.270 nan 0.000 0.458 116 T N 0.277 114.820 114.554 -0.018 0.000 2.939 116 T HA -0.008 4.342 4.350 0.001 0.000 0.254 116 T C 1.419 176.104 174.700 -0.025 0.000 1.041 116 T CA 0.898 62.983 62.100 -0.024 0.000 1.142 116 T CB 0.181 69.028 68.868 -0.035 0.000 0.874 116 T HN 0.351 nan 8.240 nan 0.000 0.452 117 E N 0.503 120.691 120.200 -0.019 0.000 2.244 117 E HA 0.169 4.520 4.350 0.001 0.000 0.196 117 E C 2.279 178.880 176.600 0.000 0.000 0.939 117 E CA -0.066 56.317 56.400 -0.028 0.000 0.884 117 E CB 0.122 29.798 29.700 -0.039 0.000 0.850 117 E HN 0.189 nan 8.360 nan 0.000 0.481 118 R N 1.243 121.755 120.500 0.021 0.000 2.091 118 R HA -0.102 4.238 4.340 0.001 0.000 0.238 118 R C -0.722 175.601 176.300 0.038 0.000 1.136 118 R CA 1.525 57.647 56.100 0.035 0.000 0.959 118 R CB -0.682 29.642 30.300 0.040 0.000 0.856 118 R HN 0.055 nan 8.270 nan 0.000 0.437 119 P HA -0.114 nan 4.420 nan 0.000 0.220 119 P C 0.877 178.208 177.300 0.051 0.000 1.148 119 P CA 1.037 64.157 63.100 0.032 0.000 0.803 119 P CB -0.044 31.667 31.700 0.017 0.000 0.782 120 L N -0.631 120.627 121.223 0.059 0.000 2.089 120 L HA -0.256 4.085 4.340 0.001 0.000 0.213 120 L C 2.280 179.263 176.870 0.188 0.000 1.079 120 L CA 2.310 57.218 54.840 0.114 0.000 0.758 120 L CB -1.180 40.961 42.059 0.136 0.000 0.891 120 L HN 0.188 nan 8.230 nan 0.000 0.433 121 S N -1.424 114.376 115.700 0.166 0.000 2.506 121 S HA 0.194 4.665 4.470 0.001 0.000 0.230 121 S C 2.043 176.715 174.600 0.119 0.000 1.066 121 S CA 0.242 58.552 58.200 0.185 0.000 0.940 121 S CB 0.048 63.345 63.200 0.162 0.000 0.818 121 S HN 0.262 nan 8.310 nan 0.000 0.518 122 A N 1.815 124.686 122.820 0.083 0.000 1.968 122 A HA 0.534 4.854 4.320 0.001 0.000 0.217 122 A C 1.465 179.083 177.584 0.057 0.000 1.169 122 A CA 0.817 52.890 52.037 0.060 0.000 0.638 122 A CB -1.214 17.808 19.000 0.038 0.000 0.812 122 A HN 1.660 nan 8.150 nan 0.000 0.446 123 G N -2.457 106.378 108.800 0.058 0.000 2.692 123 G HA2 0.134 4.094 3.960 0.001 0.000 0.686 123 G HA3 0.134 4.094 3.960 0.001 0.000 0.686 123 G C -0.798 174.134 174.900 0.053 0.000 1.243 123 G CA -0.439 44.694 45.100 0.055 0.000 0.782 123 G HN 1.035 nan 8.290 nan 0.000 0.625 124 V N 2.071 122.016 119.914 0.052 0.000 2.444 124 V HA 0.482 4.603 4.120 0.001 0.000 0.294 124 V C 0.091 176.236 176.094 0.086 0.000 1.022 124 V CA -0.928 61.408 62.300 0.060 0.000 0.850 124 V CB 1.571 33.411 31.823 0.028 0.000 0.992 124 V HN 0.973 nan 8.190 nan 0.000 0.426 125 Y N 6.080 126.377 120.300 -0.005 0.000 2.632 125 Y HA 0.210 4.760 4.550 0.001 0.000 0.329 125 Y C 0.757 176.652 175.900 -0.007 0.000 1.174 125 Y CA 0.253 58.350 58.100 -0.006 0.000 1.469 125 Y CB 0.707 39.163 38.460 -0.007 0.000 1.242 125 Y HN 0.551 nan 8.280 nan 0.000 0.540 126 M N 6.490 125.734 119.600 -0.593 0.000 3.017 126 M HA 0.238 4.718 4.480 0.001 0.000 0.423 126 M C 0.569 176.533 176.300 -0.559 0.000 1.395 126 M CA -0.014 55.029 55.300 -0.428 0.000 0.816 126 M CB 0.185 32.659 32.600 -0.209 0.000 1.440 126 M HN 0.840 nan 8.290 nan 0.000 0.506 127 G N 1.258 109.388 108.800 -1.117 0.000 3.329 127 G HA2 0.068 4.028 3.960 0.001 0.000 0.180 127 G HA3 0.068 4.028 3.960 0.001 0.000 0.180 127 G C 0.119 174.868 174.900 -0.252 0.000 1.640 127 G CA -0.142 44.552 45.100 -0.676 0.000 1.018 127 G HN 0.408 nan 8.290 nan 0.000 0.581 128 N N 0.545 119.251 118.700 0.010 0.000 2.466 128 N HA 0.302 5.042 4.740 0.001 0.000 0.263 128 N C -0.664 174.921 175.510 0.125 0.000 1.178 128 N CA 0.147 53.244 53.050 0.079 0.000 0.983 128 N CB -0.581 37.969 38.487 0.106 0.000 1.331 128 N HN 0.248 nan 8.380 nan 0.000 0.500 129 L N 0.503 121.758 121.223 0.054 0.000 2.341 129 L HA 0.503 4.844 4.340 0.001 0.000 0.254 129 L C 0.348 177.233 176.870 0.024 0.000 1.040 129 L CA -1.228 53.647 54.840 0.059 0.000 0.837 129 L CB 1.739 43.828 42.059 0.050 0.000 1.425 129 L HN 0.396 nan 8.230 nan 0.000 0.414 130 S N -0.825 114.888 115.700 0.022 0.000 2.576 130 S HA 0.017 4.488 4.470 0.001 0.000 0.272 130 S C 1.093 175.694 174.600 0.002 0.000 1.352 130 S CA 0.007 58.213 58.200 0.010 0.000 1.021 130 S CB 1.151 64.357 63.200 0.010 0.000 0.887 130 S HN 0.745 nan 8.310 nan 0.000 0.542 131 S N 0.862 116.560 115.700 -0.002 0.000 2.447 131 S HA -0.165 4.306 4.470 0.001 0.000 0.233 131 S C 1.768 176.365 174.600 -0.005 0.000 1.006 131 S CA 0.907 59.103 58.200 -0.007 0.000 0.957 131 S CB -0.612 62.583 63.200 -0.008 0.000 0.773 131 S HN 0.833 nan 8.310 nan 0.000 0.507 132 Q N 1.140 120.940 119.800 -0.001 0.000 2.046 132 Q HA -0.106 4.235 4.340 0.001 0.000 0.200 132 Q C 2.426 178.426 176.000 0.002 0.000 0.975 132 Q CA 1.530 57.333 55.803 0.000 0.000 0.836 132 Q CB -0.236 28.504 28.738 0.002 0.000 0.896 132 Q HN 0.708 nan 8.270 nan 0.000 0.428 133 Q N -0.018 119.785 119.800 0.005 0.000 2.061 133 Q HA -0.198 4.142 4.340 0.001 0.000 0.204 133 Q C 2.200 178.201 176.000 0.001 0.000 0.984 133 Q CA 1.585 57.394 55.803 0.010 0.000 0.846 133 Q CB -0.169 28.582 28.738 0.022 0.000 0.902 133 Q HN 0.404 nan 8.270 nan 0.000 0.421 134 L N 0.680 121.899 121.223 -0.008 0.000 2.042 134 L HA -0.249 4.091 4.340 0.001 0.000 0.210 134 L C 1.882 178.741 176.870 -0.018 0.000 1.076 134 L CA 1.035 55.862 54.840 -0.023 0.000 0.749 134 L CB -0.389 41.651 42.059 -0.031 0.000 0.893 134 L HN 0.224 nan 8.230 nan 0.000 0.432 135 D N -0.304 120.089 120.400 -0.012 0.000 2.092 135 D HA -0.219 4.422 4.640 0.001 0.000 0.193 135 D C 2.291 178.586 176.300 -0.007 0.000 0.994 135 D CA 1.271 55.265 54.000 -0.010 0.000 0.828 135 D CB -0.262 40.534 40.800 -0.006 0.000 0.963 135 D HN 0.377 nan 8.370 nan 0.000 0.450 136 Q N 0.066 119.864 119.800 -0.004 0.000 2.096 136 Q HA -0.128 4.212 4.340 0.001 0.000 0.204 136 Q C 2.329 178.327 176.000 -0.003 0.000 0.982 136 Q CA 1.202 57.004 55.803 -0.001 0.000 0.850 136 Q CB -0.075 28.664 28.738 0.002 0.000 0.901 136 Q HN 0.262 nan 8.270 nan 0.000 0.422 137 R N 0.112 120.609 120.500 -0.005 0.000 2.073 137 R HA -0.026 4.314 4.340 0.001 0.000 0.229 137 R C 2.290 178.583 176.300 -0.012 0.000 1.120 137 R CA 0.784 56.880 56.100 -0.006 0.000 0.967 137 R CB -0.142 30.155 30.300 -0.005 0.000 0.862 137 R HN 0.096 nan 8.270 nan 0.000 0.436 138 R N 0.507 120.997 120.500 -0.017 0.000 2.103 138 R HA -0.159 4.181 4.340 0.001 0.000 0.242 138 R C 2.212 178.504 176.300 -0.013 0.000 1.142 138 R CA 1.769 57.858 56.100 -0.019 0.000 0.960 138 R CB -0.262 30.026 30.300 -0.020 0.000 0.858 138 R HN 0.243 nan 8.270 nan 0.000 0.439 139 A N 0.416 123.230 122.820 -0.010 0.000 1.898 139 A HA -0.137 4.183 4.320 0.001 0.000 0.216 139 A C 2.009 179.589 177.584 -0.006 0.000 1.181 139 A CA 1.068 53.100 52.037 -0.007 0.000 0.620 139 A CB -0.519 18.479 19.000 -0.004 0.000 0.819 139 A HN 0.331 nan 8.150 nan 0.000 0.442 140 L N -0.096 121.123 121.223 -0.006 0.000 2.012 140 L HA -0.140 4.201 4.340 0.001 0.000 0.210 140 L C 2.274 179.139 176.870 -0.009 0.000 1.073 140 L CA 1.780 56.616 54.840 -0.006 0.000 0.748 140 L CB -0.380 41.676 42.059 -0.006 0.000 0.891 140 L HN 0.401 nan 8.230 nan 0.000 0.431 141 L N -0.403 120.814 121.223 -0.010 0.000 2.083 141 L HA -0.198 4.143 4.340 0.001 0.000 0.209 141 L C 2.330 179.192 176.870 -0.014 0.000 1.083 141 L CA 1.058 55.891 54.840 -0.013 0.000 0.752 141 L CB -0.881 41.168 42.059 -0.016 0.000 0.899 141 L HN 0.384 nan 8.230 nan 0.000 0.433 142 N N 0.028 118.721 118.700 -0.013 0.000 2.104 142 N HA -0.223 4.518 4.740 0.001 0.000 0.190 142 N C 1.837 177.341 175.510 -0.011 0.000 1.024 142 N CA 1.480 54.523 53.050 -0.012 0.000 0.853 142 N CB -0.245 38.236 38.487 -0.011 0.000 1.008 142 N HN 0.313 nan 8.380 nan 0.000 0.424 143 M N 0.501 120.095 119.600 -0.010 0.000 2.296 143 M HA 0.013 4.494 4.480 0.001 0.000 0.265 143 M C 1.344 177.636 176.300 -0.014 0.000 1.064 143 M CA 1.117 56.410 55.300 -0.010 0.000 1.109 143 M CB 0.100 32.696 32.600 -0.006 0.000 1.396 143 M HN 0.153 nan 8.290 nan 0.000 0.430 144 I N -4.260 116.301 120.570 -0.014 0.000 3.941 144 I HA 0.425 4.595 4.170 0.001 0.000 0.335 144 I C 0.875 176.979 176.117 -0.021 0.000 1.402 144 I CA 0.387 61.675 61.300 -0.019 0.000 1.112 144 I CB -0.352 37.637 38.000 -0.018 0.000 1.043 144 I HN 0.369 nan 8.210 nan 0.000 0.395 145 G N 1.774 110.564 108.800 -0.017 0.000 2.136 145 G HA2 -0.251 3.709 3.960 0.001 0.000 0.242 145 G HA3 -0.251 3.709 3.960 0.001 0.000 0.242 145 G C 0.059 174.947 174.900 -0.019 0.000 0.989 145 G CA 0.408 45.498 45.100 -0.017 0.000 0.682 145 G HN 0.437 nan 8.290 nan 0.000 0.522 159 G N 0.126 108.958 108.800 0.053 0.000 2.225 159 G HA2 -0.267 3.693 3.960 0.001 0.000 0.254 159 G HA3 -0.267 3.693 3.960 0.001 0.000 0.254 159 G C 0.261 175.108 174.900 -0.087 0.000 0.988 159 G CA 0.221 45.275 45.100 -0.077 0.000 0.625 159 G HN 0.562 nan 8.290 nan 0.000 0.527 160 V N 1.375 121.338 119.914 0.081 0.000 2.637 160 V HA 0.419 4.540 4.120 0.001 0.000 0.296 160 V C 0.905 177.008 176.094 0.015 0.000 1.046 160 V CA -0.130 62.219 62.300 0.082 0.000 1.066 160 V CB 1.685 33.580 31.823 0.120 0.000 0.968 160 V HN 0.312 nan 8.190 nan 0.000 0.483 161 V N 7.239 127.154 119.914 0.003 0.000 2.370 161 V HA 0.653 4.774 4.120 0.001 0.000 0.279 161 V C 0.136 176.237 176.094 0.012 0.000 1.029 161 V CA -0.502 61.793 62.300 -0.008 0.000 0.870 161 V CB 1.154 32.961 31.823 -0.026 0.000 0.984 161 V HN 1.061 nan 8.190 nan 0.000 0.451 162 R N 3.064 123.570 120.500 0.009 0.000 2.710 162 R HA 0.695 5.035 4.340 0.001 0.000 0.270 162 R C -0.966 175.324 176.300 -0.016 0.000 1.021 162 R CA -0.832 55.281 56.100 0.021 0.000 0.889 162 R CB 1.774 32.109 30.300 0.059 0.000 1.243 162 R HN 0.144 nan 8.270 nan 0.000 0.464 163 V N -0.588 119.313 119.914 -0.023 0.000 2.575 163 V HA 0.172 4.292 4.120 0.001 0.000 0.242 163 V C -0.161 175.740 176.094 -0.321 0.000 1.045 163 V CA 0.544 62.736 62.300 -0.180 0.000 1.065 163 V CB -0.156 31.553 31.823 -0.190 0.000 0.717 163 V HN 0.584 nan 8.190 nan 0.000 0.467 164 W N 0.751 122.069 121.300 0.030 0.000 2.318 164 W HA 0.498 5.158 4.660 0.001 0.000 0.315 164 W C -0.648 175.901 176.519 0.049 0.000 1.033 164 W CA -0.535 56.841 57.345 0.052 0.000 1.275 164 W CB 0.885 30.387 29.460 0.070 0.000 1.250 164 W HN -0.071 nan 8.180 nan 0.000 0.421 165 D N 4.252 124.790 120.400 0.230 0.000 2.456 165 D HA 0.344 4.985 4.640 0.001 0.000 0.219 165 D C -0.868 175.553 176.300 0.201 0.000 1.126 165 D CA -0.075 54.029 54.000 0.172 0.000 0.890 165 D CB 0.518 41.378 40.800 0.100 0.000 1.025 165 D HN 0.161 nan 8.370 nan 0.000 0.511 166 V N 1.190 121.222 119.914 0.197 0.000 3.007 166 V HA 0.466 4.587 4.120 0.001 0.000 0.311 166 V C 1.252 177.424 176.094 0.129 0.000 1.120 166 V CA -1.036 61.371 62.300 0.177 0.000 0.980 166 V CB 1.968 33.909 31.823 0.197 0.000 1.033 166 V HN 0.287 nan 8.190 nan 0.000 0.429 167 K N 1.602 122.066 120.400 0.108 0.000 2.001 167 K HA -0.041 4.280 4.320 0.001 0.000 0.208 167 K C 0.631 177.287 176.600 0.094 0.000 1.048 167 K CA 1.898 58.243 56.287 0.097 0.000 0.932 167 K CB 0.039 32.588 32.500 0.081 0.000 0.715 167 K HN 0.882 nan 8.250 nan 0.000 0.437 168 N N -0.657 118.089 118.700 0.077 0.000 2.576 168 N HA 0.215 4.955 4.740 0.001 0.000 0.269 168 N C -0.307 175.230 175.510 0.045 0.000 1.058 168 N CA -0.012 53.078 53.050 0.066 0.000 0.860 168 N CB 1.734 40.255 38.487 0.056 0.000 1.249 168 N HN 0.174 nan 8.380 nan 0.000 0.525 169 A N 3.007 125.859 122.820 0.053 0.000 2.019 169 A HA -0.103 4.218 4.320 0.001 0.000 0.219 169 A C 1.597 179.186 177.584 0.008 0.000 1.164 169 A CA 1.206 53.262 52.037 0.032 0.000 0.644 169 A CB -0.389 18.645 19.000 0.055 0.000 0.805 169 A HN 0.814 nan 8.150 nan 0.000 0.449 170 E N -0.123 120.090 120.200 0.023 0.000 2.209 170 E HA -0.169 4.181 4.350 0.001 0.000 0.196 170 E C 1.424 178.015 176.600 -0.016 0.000 0.993 170 E CA 0.930 57.337 56.400 0.011 0.000 0.819 170 E CB -0.322 29.390 29.700 0.021 0.000 0.745 170 E HN 0.688 nan 8.360 nan 0.000 0.477 171 L N 0.481 121.688 121.223 -0.027 0.000 2.551 171 L HA -0.094 4.246 4.340 0.001 0.000 0.228 171 L C 1.914 178.720 176.870 -0.106 0.000 1.153 171 L CA 0.284 55.090 54.840 -0.057 0.000 0.851 171 L CB -0.192 41.837 42.059 -0.050 0.000 0.959 171 L HN 0.161 nan 8.230 nan 0.000 0.451 172 L N -1.082 120.080 121.223 -0.102 0.000 2.418 172 L HA 0.009 4.350 4.340 0.001 0.000 0.218 172 L C 0.522 177.423 176.870 0.052 0.000 1.125 172 L CA -0.109 54.690 54.840 -0.068 0.000 0.835 172 L CB -0.487 41.499 42.059 -0.122 0.000 0.953 172 L HN 0.245 nan 8.230 nan 0.000 0.454 173 N N 2.621 121.325 118.700 0.008 0.000 2.374 173 N HA -0.099 4.642 4.740 0.001 0.000 0.269 173 N C 0.212 175.727 175.510 0.008 0.000 1.310 173 N CA 0.570 53.630 53.050 0.016 0.000 0.877 173 N CB -0.147 38.330 38.487 -0.017 0.000 1.096 173 N HN 0.197 nan 8.380 nan 0.000 0.484 174 N N 0.774 119.507 118.700 0.054 0.000 2.829 174 N HA -0.164 4.576 4.740 0.001 0.000 0.250 174 N C -0.256 175.239 175.510 -0.025 0.000 1.090 174 N CA 0.428 53.497 53.050 0.032 0.000 0.781 174 N CB -0.577 37.908 38.487 -0.002 0.000 1.124 174 N HN 0.610 nan 8.380 nan 0.000 0.559 175 Q N -1.102 118.655 119.800 -0.072 0.000 2.282 175 Q HA 0.292 4.633 4.340 0.001 0.000 0.206 175 Q C 0.769 176.471 176.000 -0.497 0.000 0.878 175 Q CA 0.285 55.874 55.803 -0.357 0.000 0.944 175 Q CB 0.096 28.456 28.738 -0.630 0.000 1.100 175 Q HN 0.495 nan 8.270 nan 0.000 0.509 176 F N -0.684 119.237 119.950 -0.048 0.000 2.746 176 F HA 0.336 4.865 4.527 0.003 0.000 0.320 176 F C 1.301 177.066 175.800 -0.058 0.000 1.097 176 F CA -0.588 57.390 58.000 -0.036 0.000 1.195 176 F CB 0.722 39.714 39.000 -0.013 0.000 1.056 176 F HN -0.127 nan 8.300 nan 0.000 0.562 177 G N 0.775 109.613 108.800 0.062 0.000 2.503 177 G HA2 0.408 4.369 3.960 0.001 0.000 0.257 177 G HA3 0.408 4.369 3.960 0.001 0.000 0.257 177 G C -0.019 174.860 174.900 -0.034 0.000 1.214 177 G CA -0.241 44.876 45.100 0.030 0.000 0.839 177 G HN 0.089 nan 8.290 nan 0.000 0.559 178 T N -0.806 113.739 114.554 -0.015 0.000 2.882 178 T HA 0.619 4.970 4.350 0.001 0.000 0.287 178 T C -0.085 174.596 174.700 -0.032 0.000 0.992 178 T CA -0.673 61.397 62.100 -0.050 0.000 1.076 178 T CB 1.569 70.426 68.868 -0.019 0.000 0.961 178 T HN 0.473 nan 8.240 nan 0.000 0.490 179 M N 3.635 123.194 119.600 -0.069 0.000 2.204 179 M HA 0.363 4.843 4.480 0.001 0.000 0.293 179 M C -2.282 173.993 176.300 -0.042 0.000 0.994 179 M CA -2.442 52.830 55.300 -0.047 0.000 0.925 179 M CB 2.430 34.984 32.600 -0.077 0.000 1.577 179 M HN 0.318 nan 8.290 nan 0.000 0.439 180 P HA -0.158 nan 4.420 nan 0.000 0.216 180 P C 1.183 178.476 177.300 -0.012 0.000 1.150 180 P CA 1.771 64.863 63.100 -0.014 0.000 0.843 180 P CB 0.030 31.722 31.700 -0.012 0.000 0.787 181 S N -0.962 114.724 115.700 -0.023 0.000 2.383 181 S HA -0.143 4.328 4.470 0.001 0.000 0.227 181 S C 1.902 176.518 174.600 0.026 0.000 1.026 181 S CA 0.973 59.170 58.200 -0.005 0.000 0.981 181 S CB -1.591 61.594 63.200 -0.025 0.000 0.818 181 S HN -0.004 nan 8.310 nan 0.000 0.472 182 L N 2.361 123.583 121.223 -0.001 0.000 2.027 182 L HA -0.014 4.327 4.340 0.001 0.000 0.206 182 L C 2.528 179.416 176.870 0.029 0.000 1.074 182 L CA 2.263 57.108 54.840 0.007 0.000 0.745 182 L CB -1.563 40.435 42.059 -0.103 0.000 0.898 182 L HN 0.331 nan 8.230 nan 0.000 0.433 183 T N -0.005 114.542 114.554 -0.013 0.000 2.665 183 T HA -0.211 4.139 4.350 0.001 0.000 0.268 183 T C 1.820 176.591 174.700 0.117 0.000 1.035 183 T CA 1.709 63.821 62.100 0.020 0.000 1.151 183 T CB -0.467 68.405 68.868 0.007 0.000 0.862 183 T HN 0.177 nan 8.240 nan 0.000 0.438 184 L N 1.332 122.606 121.223 0.084 0.000 2.012 184 L HA 0.020 4.360 4.340 0.001 0.000 0.210 184 L C 2.712 179.649 176.870 0.112 0.000 1.073 184 L CA 1.974 56.864 54.840 0.084 0.000 0.748 184 L CB -1.441 40.648 42.059 0.049 0.000 0.891 184 L HN 0.282 nan 8.230 nan 0.000 0.431 185 A N -2.004 120.903 122.820 0.144 0.000 1.930 185 A HA -0.207 4.113 4.320 0.001 0.000 0.217 185 A C 2.452 180.164 177.584 0.213 0.000 1.175 185 A CA 1.664 53.817 52.037 0.193 0.000 0.627 185 A CB -1.237 17.959 19.000 0.325 0.000 0.815 185 A HN 0.577 nan 8.150 nan 0.000 0.443 186 C N -0.792 118.704 119.300 0.327 0.000 2.453 186 C HA -0.009 4.452 4.460 0.001 0.000 0.277 186 C C 2.628 177.863 174.990 0.408 0.000 1.262 186 C CA 0.890 60.169 59.018 0.434 0.000 1.718 186 C CB -1.489 26.478 27.740 0.378 0.000 2.031 186 C HN 0.637 nan 8.230 nan 0.000 0.480 187 L N 0.402 121.888 121.223 0.439 0.000 2.013 187 L HA -0.233 4.107 4.340 0.001 0.000 0.212 187 L C 2.684 179.581 176.870 0.044 0.000 1.073 187 L CA 2.003 56.968 54.840 0.208 0.000 0.753 187 L CB -1.265 40.891 42.059 0.161 0.000 0.890 187 L HN 0.408 nan 8.230 nan 0.000 0.432 188 T N -0.726 113.847 114.554 0.033 0.000 2.643 188 T HA -0.221 4.130 4.350 0.001 0.000 0.264 188 T C 1.917 176.554 174.700 -0.106 0.000 1.045 188 T CA 1.805 63.885 62.100 -0.033 0.000 1.155 188 T CB -0.114 68.738 68.868 -0.026 0.000 0.863 188 T HN 0.113 nan 8.240 nan 0.000 0.420 189 K N 1.207 121.473 120.400 -0.222 0.000 2.031 189 K HA 0.021 4.342 4.320 0.001 0.000 0.205 189 K C 2.291 178.758 176.600 -0.222 0.000 1.049 189 K CA 1.442 57.509 56.287 -0.368 0.000 0.939 189 K CB -0.308 31.613 32.500 -0.966 0.000 0.717 189 K HN 0.339 nan 8.250 nan 0.000 0.438 190 Q N -1.034 118.694 119.800 -0.120 0.000 2.297 190 Q HA 0.042 4.382 4.340 0.001 0.000 0.204 190 Q C 1.712 177.677 176.000 -0.059 0.000 0.962 190 Q CA 1.164 56.961 55.803 -0.009 0.000 0.879 190 Q CB 0.130 28.968 28.738 0.167 0.000 0.947 190 Q HN 0.516 nan 8.270 nan 0.000 0.462 191 G N -0.094 108.655 108.800 -0.086 0.000 2.939 191 G HA2 -0.070 3.890 3.960 0.001 0.000 0.210 191 G HA3 -0.070 3.890 3.960 0.001 0.000 0.210 191 G C -0.014 174.843 174.900 -0.072 0.000 1.160 191 G CA -0.298 44.739 45.100 -0.104 0.000 0.770 191 G HN 0.294 nan 8.290 nan 0.000 0.543 192 Q N -0.813 118.944 119.800 -0.070 0.000 2.452 192 Q HA -0.169 4.171 4.340 0.001 0.000 0.318 192 Q C -0.083 175.890 176.000 -0.045 0.000 1.386 192 Q CA 0.438 56.206 55.803 -0.058 0.000 0.872 192 Q CB -2.358 26.351 28.738 -0.047 0.000 1.151 192 Q HN 0.641 nan 8.270 nan 0.000 0.417 193 V N -3.820 116.069 119.914 -0.042 0.000 3.113 193 V HA 0.646 4.766 4.120 0.001 0.000 0.316 193 V C -0.066 176.014 176.094 -0.023 0.000 1.125 193 V CA -1.264 61.020 62.300 -0.026 0.000 1.026 193 V CB 2.162 33.975 31.823 -0.016 0.000 1.080 193 V HN 0.101 nan 8.190 nan 0.000 0.444 194 D N 1.216 121.609 120.400 -0.012 0.000 2.382 194 D HA 0.269 4.910 4.640 0.001 0.000 0.245 194 D C 0.857 177.156 176.300 -0.002 0.000 1.120 194 D CA -0.292 53.703 54.000 -0.008 0.000 0.890 194 D CB 1.176 41.975 40.800 -0.002 0.000 1.201 194 D HN 0.626 nan 8.370 nan 0.000 0.433 195 L N 2.555 123.777 121.223 -0.002 0.000 2.021 195 L HA -0.292 4.048 4.340 0.001 0.000 0.215 195 L C 1.480 178.357 176.870 0.011 0.000 1.074 195 L CA 1.969 56.812 54.840 0.005 0.000 0.760 195 L CB -0.638 41.425 42.059 0.008 0.000 0.889 195 L HN 0.325 nan 8.230 nan 0.000 0.433 196 N N 0.094 118.801 118.700 0.011 0.000 2.061 196 N HA -0.223 4.518 4.740 0.001 0.000 0.193 196 N C 1.566 177.092 175.510 0.027 0.000 1.030 196 N CA 1.757 54.817 53.050 0.016 0.000 0.856 196 N CB -0.557 37.940 38.487 0.015 0.000 1.023 196 N HN 0.459 nan 8.380 nan 0.000 0.424 197 D N 0.162 120.581 120.400 0.032 0.000 2.133 197 D HA -0.095 4.546 4.640 0.001 0.000 0.195 197 D C 1.769 178.101 176.300 0.053 0.000 0.997 197 D CA 1.348 55.382 54.000 0.057 0.000 0.840 197 D CB -0.372 40.456 40.800 0.047 0.000 0.947 197 D HN 0.317 nan 8.370 nan 0.000 0.452 198 A N 0.216 123.052 122.820 0.026 0.000 1.855 198 A HA -0.126 4.194 4.320 0.001 0.000 0.215 198 A C 2.514 180.095 177.584 -0.004 0.000 1.191 198 A CA 1.291 53.337 52.037 0.015 0.000 0.613 198 A CB -0.838 18.176 19.000 0.023 0.000 0.829 198 A HN 0.135 nan 8.150 nan 0.000 0.442 199 V N 0.136 120.051 119.914 0.000 0.000 2.282 199 V HA -0.370 3.751 4.120 0.001 0.000 0.249 199 V C 2.693 178.769 176.094 -0.031 0.000 1.057 199 V CA 2.458 64.751 62.300 -0.010 0.000 1.032 199 V CB -0.990 30.832 31.823 -0.000 0.000 0.645 199 V HN 0.652 nan 8.190 nan 0.000 0.447 200 Q N -0.531 119.259 119.800 -0.016 0.000 2.084 200 Q HA -0.151 4.189 4.340 0.001 0.000 0.202 200 Q C 2.424 178.310 176.000 -0.189 0.000 0.978 200 Q CA 1.714 57.504 55.803 -0.022 0.000 0.844 200 Q CB -0.405 28.383 28.738 0.082 0.000 0.898 200 Q HN 0.690 nan 8.270 nan 0.000 0.426 201 A N 0.789 123.449 122.820 -0.267 0.000 1.902 201 A HA -0.148 4.172 4.320 0.001 0.000 0.217 201 A C 2.040 179.429 177.584 -0.324 0.000 1.181 201 A CA 1.087 52.768 52.037 -0.592 0.000 0.623 201 A CB -0.619 18.214 19.000 -0.279 0.000 0.818 201 A HN 0.284 nan 8.150 nan 0.000 0.443 202 L N -0.754 120.374 121.223 -0.159 0.000 2.093 202 L HA -0.133 4.208 4.340 0.001 0.000 0.208 202 L C 2.763 179.582 176.870 -0.086 0.000 1.085 202 L CA 1.566 56.348 54.840 -0.097 0.000 0.755 202 L CB -0.984 41.047 42.059 -0.048 0.000 0.904 202 L HN 0.352 nan 8.230 nan 0.000 0.435 203 T N -0.498 114.006 114.554 -0.083 0.000 2.622 203 T HA -0.197 4.154 4.350 0.001 0.000 0.266 203 T C 1.379 176.042 174.700 -0.062 0.000 1.047 203 T CA 1.754 63.822 62.100 -0.053 0.000 1.159 203 T CB -0.356 68.490 68.868 -0.036 0.000 0.863 203 T HN 0.332 nan 8.240 nan 0.000 0.422 204 D N 0.897 121.229 120.400 -0.114 0.000 2.265 204 D HA -0.048 4.592 4.640 0.001 0.000 0.208 204 D C 1.868 178.125 176.300 -0.071 0.000 0.977 204 D CA 0.410 54.355 54.000 -0.091 0.000 0.871 204 D CB -0.394 40.350 40.800 -0.095 0.000 0.925 204 D HN 0.222 nan 8.370 nan 0.000 0.485 205 L N 0.358 121.526 121.223 -0.092 0.000 2.162 205 L HA 0.201 4.541 4.340 0.001 0.000 0.205 205 L C 2.175 179.027 176.870 -0.030 0.000 1.086 205 L CA 1.536 56.335 54.840 -0.069 0.000 0.778 205 L CB -0.742 41.261 42.059 -0.093 0.000 0.928 205 L HN 0.035 nan 8.230 nan 0.000 0.446 206 G N -0.159 108.637 108.800 -0.007 0.000 2.422 206 G HA2 -0.226 3.735 3.960 0.001 0.000 0.218 206 G HA3 -0.226 3.735 3.960 0.001 0.000 0.218 206 G C 1.604 176.559 174.900 0.092 0.000 1.146 206 G CA 1.043 46.185 45.100 0.070 0.000 0.769 206 G HN 0.402 nan 8.290 nan 0.000 0.547 207 L N 0.222 121.469 121.223 0.040 0.000 2.012 207 L HA -0.137 4.204 4.340 0.001 0.000 0.210 207 L C 2.808 179.705 176.870 0.045 0.000 1.073 207 L CA 0.678 55.540 54.840 0.035 0.000 0.748 207 L CB -0.412 41.658 42.059 0.017 0.000 0.891 207 L HN 0.122 nan 8.230 nan 0.000 0.431 208 I N -0.834 119.757 120.570 0.035 0.000 2.208 208 I HA -0.340 3.831 4.170 0.001 0.000 0.245 208 I C 2.408 178.565 176.117 0.067 0.000 1.097 208 I CA 1.487 62.802 61.300 0.024 0.000 1.363 208 I CB -1.441 36.556 38.000 -0.006 0.000 1.051 208 I HN 0.251 nan 8.210 nan 0.000 0.413 209 Y N 2.381 122.643 120.300 -0.062 0.000 2.465 209 Y HA -0.248 4.303 4.550 0.001 0.000 0.289 209 Y C 2.689 178.667 175.900 0.130 0.000 1.150 209 Y CA 1.536 59.619 58.100 -0.028 0.000 1.293 209 Y CB -0.799 37.612 38.460 -0.082 0.000 0.977 209 Y HN 0.416 nan 8.280 nan 0.000 0.556 210 T N -3.308 111.294 114.554 0.080 0.000 3.007 210 T HA 0.049 4.400 4.350 0.001 0.000 0.270 210 T C 1.715 176.532 174.700 0.195 0.000 1.107 210 T CA 1.014 63.150 62.100 0.060 0.000 1.118 210 T CB -0.309 68.581 68.868 0.037 0.000 0.889 210 T HN 0.281 nan 8.240 nan 0.000 0.506 211 A N 0.982 123.894 122.820 0.152 0.000 2.226 211 A HA 0.503 4.824 4.320 0.001 0.000 0.207 211 A C 0.701 178.074 177.584 -0.351 0.000 1.293 211 A CA 0.086 52.170 52.037 0.078 0.000 0.968 211 A CB 0.533 19.542 19.000 0.015 0.000 1.044 211 A HN 0.693 nan 8.150 nan 0.000 0.493 212 K N -2.225 117.781 120.400 -0.657 0.000 2.615 212 K HA 0.389 4.709 4.320 0.001 0.000 0.291 212 K C -1.615 174.642 176.600 -0.572 0.000 1.017 212 K CA -0.770 54.835 56.287 -1.137 0.000 0.882 212 K CB 0.678 32.900 32.500 -0.464 0.000 1.522 212 K HN -0.057 nan 8.250 nan 0.000 0.412 213 Y N 2.086 122.142 120.300 -0.406 0.000 2.480 213 Y HA 0.221 4.771 4.550 0.001 0.000 0.341 213 Y C -2.131 173.763 175.900 -0.010 0.000 1.031 213 Y CA -1.179 56.947 58.100 0.043 0.000 1.295 213 Y CB 0.830 39.360 38.460 0.117 0.000 1.162 213 Y HN 0.427 nan 8.280 nan 0.000 0.523 214 P HA -0.000 nan 4.420 nan 0.000 0.266 214 P C -1.218 176.121 177.300 0.064 0.000 1.195 214 P CA 0.256 63.312 63.100 -0.074 0.000 0.768 214 P CB 0.553 32.149 31.700 -0.173 0.000 0.838 215 N N -0.498 118.232 118.700 0.050 0.000 2.701 215 N HA 0.274 5.015 4.740 0.001 0.000 0.290 215 N C 0.675 176.210 175.510 0.042 0.000 1.338 215 N CA -0.745 52.349 53.050 0.074 0.000 0.799 215 N CB -0.541 37.984 38.487 0.064 0.000 1.491 215 N HN 0.051 nan 8.380 nan 0.000 0.540 216 T N -0.417 114.161 114.554 0.040 0.000 2.624 216 T HA -0.251 4.100 4.350 0.001 0.000 0.268 216 T C 1.664 176.375 174.700 0.019 0.000 1.041 216 T CA 2.566 64.683 62.100 0.028 0.000 1.159 216 T CB -0.614 68.269 68.868 0.024 0.000 0.863 216 T HN 0.684 nan 8.240 nan 0.000 0.434 217 S N 1.064 116.774 115.700 0.016 0.000 2.368 217 S HA -0.186 4.284 4.470 0.001 0.000 0.225 217 S C 1.753 176.358 174.600 0.010 0.000 1.030 217 S CA 1.676 59.883 58.200 0.011 0.000 0.999 217 S CB -0.568 62.637 63.200 0.008 0.000 0.844 217 S HN 0.411 nan 8.310 nan 0.000 0.459 218 D N 1.097 121.502 120.400 0.008 0.000 2.084 218 D HA -0.083 4.557 4.640 0.001 0.000 0.194 218 D C 1.975 178.279 176.300 0.006 0.000 0.990 218 D CA 1.222 55.224 54.000 0.003 0.000 0.826 218 D CB -0.621 40.175 40.800 -0.005 0.000 0.971 218 D HN 0.397 nan 8.370 nan 0.000 0.453 219 L N 1.161 122.388 121.223 0.006 0.000 2.056 219 L HA -0.144 4.196 4.340 0.001 0.000 0.207 219 L C 1.740 178.619 176.870 0.015 0.000 1.078 219 L CA 1.632 56.476 54.840 0.007 0.000 0.749 219 L CB -0.299 41.765 42.059 0.008 0.000 0.901 219 L HN -0.150 nan 8.230 nan 0.000 0.433 220 D N -0.417 119.992 120.400 0.015 0.000 2.116 220 D HA -0.221 4.419 4.640 0.001 0.000 0.193 220 D C 2.308 178.618 176.300 0.016 0.000 0.998 220 D CA 1.417 55.425 54.000 0.014 0.000 0.836 220 D CB 0.007 40.814 40.800 0.011 0.000 0.951 220 D HN 0.380 nan 8.370 nan 0.000 0.449 221 R N 0.030 120.540 120.500 0.017 0.000 2.075 221 R HA 0.017 4.358 4.340 0.001 0.000 0.232 221 R C 2.597 178.918 176.300 0.035 0.000 1.126 221 R CA 0.362 56.473 56.100 0.019 0.000 0.963 221 R CB -0.332 29.977 30.300 0.015 0.000 0.858 221 R HN 0.208 nan 8.270 nan 0.000 0.435 222 L N 0.286 121.535 121.223 0.044 0.000 2.265 222 L HA -0.148 4.193 4.340 0.001 0.000 0.215 222 L C 1.956 178.897 176.870 0.118 0.000 1.117 222 L CA 1.061 55.952 54.840 0.086 0.000 0.782 222 L CB -0.231 41.858 42.059 0.051 0.000 0.914 222 L HN 0.252 nan 8.230 nan 0.000 0.441 223 T N -1.191 113.402 114.554 0.066 0.000 2.896 223 T HA -0.160 4.190 4.350 0.001 0.000 0.263 223 T C 1.770 176.490 174.700 0.033 0.000 1.050 223 T CA 0.880 63.014 62.100 0.056 0.000 1.140 223 T CB 0.055 68.940 68.868 0.028 0.000 0.877 223 T HN 0.356 nan 8.240 nan 0.000 0.457 224 Q N 0.831 120.641 119.800 0.017 0.000 2.077 224 Q HA -0.125 4.216 4.340 0.001 0.000 0.206 224 Q C 2.567 178.545 176.000 -0.037 0.000 0.989 224 Q CA 1.910 57.709 55.803 -0.007 0.000 0.853 224 Q CB -0.351 28.384 28.738 -0.005 0.000 0.907 224 Q HN 0.394 nan 8.270 nan 0.000 0.418 225 S N -0.655 115.018 115.700 -0.045 0.000 2.387 225 S HA -0.088 4.383 4.470 0.001 0.000 0.226 225 S C 0.293 174.669 174.600 -0.373 0.000 1.026 225 S CA 0.491 58.587 58.200 -0.173 0.000 0.972 225 S CB 0.093 63.227 63.200 -0.110 0.000 0.814 225 S HN 0.377 nan 8.310 nan 0.000 0.477 226 H N 0.456 119.519 119.070 -0.012 0.000 2.541 226 H HA 0.289 4.846 4.556 0.001 0.000 0.246 226 H C -2.327 172.989 175.328 -0.020 0.000 1.341 226 H CA -1.613 54.426 56.048 -0.014 0.000 1.469 226 H CB 1.388 31.143 29.762 -0.012 0.000 1.472 226 H HN 0.277 nan 8.280 nan 0.000 0.503 227 P HA -0.162 nan 4.420 nan 0.000 0.218 227 P C 1.707 179.012 177.300 0.008 0.000 1.146 227 P CA 0.575 63.682 63.100 0.011 0.000 0.813 227 P CB 0.302 31.994 31.700 -0.013 0.000 0.778 228 I N -0.947 119.639 120.570 0.027 0.000 2.530 228 I HA -0.181 3.989 4.170 0.001 0.000 0.257 228 I C 1.650 177.755 176.117 -0.021 0.000 1.179 228 I CA 1.400 62.697 61.300 -0.005 0.000 1.440 228 I CB -0.774 37.232 38.000 0.009 0.000 1.087 228 I HN -0.130 nan 8.210 nan 0.000 0.440 229 L N 0.939 122.170 121.223 0.013 0.000 2.478 229 L HA -0.053 4.288 4.340 0.001 0.000 0.223 229 L C 1.720 178.582 176.870 -0.012 0.000 1.140 229 L CA 0.895 55.736 54.840 0.002 0.000 0.842 229 L CB -1.004 41.066 42.059 0.017 0.000 0.953 229 L HN 0.485 nan 8.230 nan 0.000 0.452 230 N N -0.220 118.468 118.700 -0.020 0.000 2.501 230 N HA -0.073 4.667 4.740 0.001 0.000 0.195 230 N C 1.514 176.989 175.510 -0.058 0.000 1.213 230 N CA 0.171 53.205 53.050 -0.026 0.000 0.864 230 N CB 0.130 38.607 38.487 -0.016 0.000 0.999 230 N HN 0.444 nan 8.380 nan 0.000 0.454 231 M N 0.621 120.157 119.600 -0.107 0.000 2.254 231 M HA 0.104 4.584 4.480 0.001 0.000 0.265 231 M C 0.675 176.909 176.300 -0.110 0.000 1.066 231 M CA 0.644 55.816 55.300 -0.213 0.000 1.123 231 M CB -0.076 32.269 32.600 -0.425 0.000 1.388 231 M HN 0.106 nan 8.290 nan 0.000 0.425 232 I N 1.890 122.452 120.570 -0.014 0.000 2.662 232 I HA -0.112 4.059 4.170 0.001 0.000 0.285 232 I C 0.237 176.395 176.117 0.069 0.000 1.161 232 I CA 0.061 61.409 61.300 0.079 0.000 1.415 232 I CB 0.002 38.042 38.000 0.066 0.000 1.385 232 I HN 0.017 nan 8.210 nan 0.000 0.552 233 D N 5.449 125.913 120.400 0.107 0.000 2.517 233 D HA 0.049 4.689 4.640 0.001 0.000 0.220 233 D C 1.312 177.653 176.300 0.067 0.000 1.158 233 D CA 0.066 54.114 54.000 0.079 0.000 0.992 233 D CB 0.500 41.355 40.800 0.092 0.000 1.058 233 D HN 0.517 nan 8.370 nan 0.000 0.516 234 T N 1.933 116.519 114.554 0.052 0.000 2.701 234 T HA -0.220 4.131 4.350 0.001 0.000 0.265 234 T C 1.016 175.742 174.700 0.043 0.000 1.032 234 T CA 1.294 63.422 62.100 0.047 0.000 1.158 234 T CB 0.004 68.893 68.868 0.035 0.000 0.854 234 T HN 0.206 nan 8.240 nan 0.000 0.463 235 K N 2.137 122.559 120.400 0.036 0.000 3.001 235 K HA 0.335 4.656 4.320 0.001 0.000 0.257 235 K C -0.343 176.276 176.600 0.031 0.000 1.290 235 K CA 0.029 56.333 56.287 0.029 0.000 1.252 235 K CB 0.347 32.860 32.500 0.021 0.000 1.656 235 K HN 0.339 nan 8.250 nan 0.000 0.351 236 K N -0.117 120.306 120.400 0.038 0.000 2.565 236 K HA 0.221 4.542 4.320 0.001 0.000 0.249 236 K C -0.251 176.370 176.600 0.035 0.000 0.958 236 K CA -0.274 56.037 56.287 0.041 0.000 0.806 236 K CB 1.380 33.916 32.500 0.059 0.000 1.194 236 K HN 0.057 nan 8.250 nan 0.000 0.434 237 S N 0.933 116.646 115.700 0.022 0.000 2.592 237 S HA -0.035 4.436 4.470 0.001 0.000 0.256 237 S C 0.863 175.475 174.600 0.020 0.000 1.369 237 S CA 0.391 58.598 58.200 0.012 0.000 0.984 237 S CB 0.290 63.491 63.200 0.002 0.000 0.919 237 S HN 0.718 nan 8.310 nan 0.000 0.576 238 S N 0.945 116.652 115.700 0.011 0.000 2.660 238 S HA 0.340 4.810 4.470 0.001 0.000 0.227 238 S C -0.035 174.566 174.600 0.000 0.000 0.948 238 S CA -0.414 57.795 58.200 0.016 0.000 0.948 238 S CB -0.647 62.563 63.200 0.018 0.000 0.779 238 S HN 0.459 nan 8.310 nan 0.000 0.487 239 L N 1.616 122.835 121.223 -0.007 0.000 2.346 239 L HA 0.522 4.862 4.340 0.001 0.000 0.274 239 L C 0.295 177.149 176.870 -0.026 0.000 1.007 239 L CA -0.863 53.961 54.840 -0.028 0.000 0.818 239 L CB 1.015 43.057 42.059 -0.029 0.000 1.284 239 L HN 0.145 nan 8.230 nan 0.000 0.424 240 N N 2.131 120.795 118.700 -0.061 0.000 2.740 240 N HA -0.201 4.540 4.740 0.001 0.000 0.248 240 N C -1.005 174.516 175.510 0.020 0.000 1.062 240 N CA 1.142 54.162 53.050 -0.049 0.000 0.704 240 N CB -0.829 37.644 38.487 -0.024 0.000 0.968 240 N HN 0.650 nan 8.380 nan 0.000 0.547 241 I N -4.091 116.505 120.570 0.044 0.000 3.294 241 I HA 0.816 4.986 4.170 0.001 0.000 0.311 241 I C 0.357 176.628 176.117 0.257 0.000 1.111 241 I CA -0.716 60.660 61.300 0.126 0.000 0.976 241 I CB 2.156 40.204 38.000 0.080 0.000 1.260 241 I HN 0.148 nan 8.210 nan 0.000 0.474 242 S N -0.228 115.614 115.700 0.236 0.000 2.697 242 S HA 0.582 5.052 4.470 0.001 0.000 0.289 242 S C 0.670 175.270 174.600 0.000 0.000 1.149 242 S CA -0.217 58.132 58.200 0.248 0.000 0.850 242 S CB 0.994 64.400 63.200 0.345 0.000 1.151 242 S HN 1.091 nan 8.310 nan 0.000 0.491 243 G N -0.505 108.167 108.800 -0.215 0.000 2.559 243 G HA2 -0.015 3.946 3.960 0.001 0.000 0.216 243 G HA3 -0.015 3.946 3.960 0.001 0.000 0.216 243 G C 0.364 174.905 174.900 -0.598 0.000 1.126 243 G CA 0.511 45.349 45.100 -0.435 0.000 0.778 243 G HN 0.713 nan 8.290 nan 0.000 0.543 244 Y N 0.176 120.413 120.300 -0.104 0.000 2.466 244 Y HA 0.247 4.798 4.550 0.000 0.000 0.272 244 Y C 0.729 176.450 175.900 -0.298 0.000 1.169 244 Y CA -0.923 57.068 58.100 -0.183 0.000 1.285 244 Y CB -0.253 38.154 38.460 -0.087 0.000 1.078 244 Y HN 0.094 nan 8.280 nan 0.000 0.523 245 N N -0.260 118.355 118.700 -0.141 0.000 2.473 245 N HA 0.251 4.992 4.740 0.001 0.000 0.291 245 N C -1.206 174.160 175.510 -0.241 0.000 1.083 245 N CA -0.600 52.378 53.050 -0.119 0.000 0.951 245 N CB 0.558 39.073 38.487 0.046 0.000 1.164 245 N HN -0.078 nan 8.380 nan 0.000 0.480 246 F N 1.006 121.001 119.950 0.076 0.000 2.669 246 F HA 0.160 4.688 4.527 0.002 0.000 0.353 246 F C 0.971 176.797 175.800 0.043 0.000 1.192 246 F CA -0.719 57.314 58.000 0.055 0.000 1.317 246 F CB -0.709 38.322 39.000 0.052 0.000 1.652 246 F HN 0.327 nan 8.300 nan 0.000 0.608 247 S N 0.153 115.927 115.700 0.123 0.000 2.603 247 S HA 0.170 4.640 4.470 0.001 0.000 0.268 247 S C 1.153 175.808 174.600 0.092 0.000 1.317 247 S CA -0.860 57.400 58.200 0.100 0.000 1.012 247 S CB 1.325 64.565 63.200 0.067 0.000 0.926 247 S HN 0.501 nan 8.310 nan 0.000 0.539 248 L N 2.830 124.104 121.223 0.084 0.000 2.083 248 L HA 0.134 4.474 4.340 0.001 0.000 0.209 248 L C 2.295 179.195 176.870 0.051 0.000 1.083 248 L CA 2.400 57.281 54.840 0.067 0.000 0.752 248 L CB -1.395 40.717 42.059 0.088 0.000 0.899 248 L HN 0.977 nan 8.230 nan 0.000 0.433 249 G N -1.050 107.802 108.800 0.087 0.000 2.440 249 G HA2 -0.266 3.694 3.960 0.001 0.000 0.218 249 G HA3 -0.266 3.694 3.960 0.001 0.000 0.218 249 G C 1.588 176.508 174.900 0.033 0.000 1.154 249 G CA 0.831 45.990 45.100 0.097 0.000 0.767 249 G HN 0.640 nan 8.290 nan 0.000 0.552 250 A N 1.211 124.048 122.820 0.028 0.000 1.873 250 A HA 0.300 4.621 4.320 0.001 0.000 0.215 250 A C 2.855 180.436 177.584 -0.005 0.000 1.186 250 A CA 2.288 54.330 52.037 0.008 0.000 0.616 250 A CB -0.937 18.058 19.000 -0.008 0.000 0.823 250 A HN 0.798 nan 8.150 nan 0.000 0.442 251 A N -0.507 122.316 122.820 0.006 0.000 1.865 251 A HA -0.071 4.250 4.320 0.001 0.000 0.217 251 A C 2.250 179.777 177.584 -0.094 0.000 1.191 251 A CA 1.985 54.013 52.037 -0.014 0.000 0.623 251 A CB -1.173 17.831 19.000 0.007 0.000 0.826 251 A HN 0.435 nan 8.150 nan 0.000 0.444 252 V N 0.453 120.260 119.914 -0.180 0.000 2.332 252 V HA -0.320 3.800 4.120 0.001 0.000 0.248 252 V C 2.604 178.487 176.094 -0.352 0.000 1.055 252 V CA 2.563 64.621 62.300 -0.405 0.000 1.038 252 V CB -0.681 30.729 31.823 -0.689 0.000 0.651 252 V HN 0.742 nan 8.190 nan 0.000 0.450 253 K N 0.209 120.495 120.400 -0.190 0.000 2.026 253 K HA -0.189 4.132 4.320 0.001 0.000 0.208 253 K C 2.135 178.720 176.600 -0.025 0.000 1.048 253 K CA 1.730 57.982 56.287 -0.059 0.000 0.929 253 K CB -0.338 32.175 32.500 0.021 0.000 0.713 253 K HN 0.425 nan 8.250 nan 0.000 0.439 254 A N 0.565 123.367 122.820 -0.030 0.000 1.969 254 A HA -0.007 4.314 4.320 0.001 0.000 0.218 254 A C 2.316 179.890 177.584 -0.017 0.000 1.169 254 A CA 1.595 53.624 52.037 -0.013 0.000 0.635 254 A CB -0.919 18.079 19.000 -0.004 0.000 0.810 254 A HN 0.565 nan 8.150 nan 0.000 0.445 255 G N -0.514 108.262 108.800 -0.040 0.000 2.422 255 G HA2 0.065 4.025 3.960 0.001 0.000 0.218 255 G HA3 0.065 4.025 3.960 0.001 0.000 0.218 255 G C 1.654 176.568 174.900 0.022 0.000 1.140 255 G CA 1.156 46.239 45.100 -0.028 0.000 0.775 255 G HN 0.737 nan 8.290 nan 0.000 0.545 256 A N -0.159 122.696 122.820 0.058 0.000 1.972 256 A HA -0.060 4.261 4.320 0.001 0.000 0.219 256 A C 2.411 180.035 177.584 0.067 0.000 1.169 256 A CA 1.686 53.811 52.037 0.146 0.000 0.635 256 A CB -0.753 18.391 19.000 0.239 0.000 0.810 256 A HN 0.416 nan 8.150 nan 0.000 0.446 257 C N -0.848 118.473 119.300 0.035 0.000 2.495 257 C HA 0.105 4.565 4.460 0.001 0.000 0.275 257 C C 2.542 177.538 174.990 0.009 0.000 1.392 257 C CA 0.449 59.478 59.018 0.017 0.000 1.766 257 C CB -0.824 26.918 27.740 0.003 0.000 1.933 257 C HN 0.559 nan 8.230 nan 0.000 0.519 258 M N 0.746 120.351 119.600 0.008 0.000 2.476 258 M HA 0.042 4.522 4.480 0.001 0.000 0.262 258 M C 1.817 178.121 176.300 0.007 0.000 1.079 258 M CA 1.192 56.493 55.300 0.002 0.000 1.104 258 M CB -1.007 31.589 32.600 -0.007 0.000 1.409 258 M HN 0.411 nan 8.290 nan 0.000 0.467 259 L N -0.191 121.042 121.223 0.016 0.000 2.109 259 L HA -0.121 4.219 4.340 0.001 0.000 0.207 259 L C 0.147 177.025 176.870 0.013 0.000 1.086 259 L CA 0.326 55.175 54.840 0.015 0.000 0.760 259 L CB -0.693 41.379 42.059 0.022 0.000 0.910 259 L HN 0.237 nan 8.230 nan 0.000 0.437 260 D N 1.111 121.519 120.400 0.014 0.000 2.697 260 D HA -0.091 4.549 4.640 0.001 0.000 0.235 260 D C 0.293 176.601 176.300 0.013 0.000 1.167 260 D CA 1.178 55.186 54.000 0.015 0.000 0.656 260 D CB -1.083 39.725 40.800 0.012 0.000 1.025 260 D HN 0.637 nan 8.370 nan 0.000 0.419 261 G N -2.205 106.602 108.800 0.011 0.000 2.320 261 G HA2 0.598 4.559 3.960 0.001 0.000 0.296 261 G HA3 0.598 4.559 3.960 0.001 0.000 0.296 261 G C 0.596 175.495 174.900 -0.002 0.000 1.306 261 G CA 0.456 45.559 45.100 0.006 0.000 0.836 261 G HN 0.958 nan 8.290 nan 0.000 0.517 262 G N -0.289 108.505 108.800 -0.009 0.000 2.155 262 G HA2 -0.154 3.807 3.960 0.001 0.000 0.257 262 G HA3 -0.154 3.807 3.960 0.001 0.000 0.257 262 G C 0.633 175.507 174.900 -0.044 0.000 0.983 262 G CA 0.939 46.025 45.100 -0.024 0.000 0.676 262 G HN 2.098 nan 8.290 nan 0.000 0.528 263 N N -1.188 117.495 118.700 -0.028 0.000 2.714 263 N HA -0.152 4.588 4.740 0.001 0.000 0.253 263 N C 0.521 175.998 175.510 -0.055 0.000 1.024 263 N CA 1.638 54.671 53.050 -0.029 0.000 0.726 263 N CB -0.759 37.709 38.487 -0.031 0.000 0.908 263 N HN 0.570 nan 8.380 nan 0.000 0.542 264 M N 0.734 120.303 119.600 -0.052 0.000 2.188 264 M HA 0.103 4.583 4.480 0.001 0.000 0.354 264 M C 1.877 178.119 176.300 -0.098 0.000 1.342 264 M CA -0.086 55.163 55.300 -0.085 0.000 1.117 264 M CB 0.400 32.981 32.600 -0.032 0.000 1.670 264 M HN 0.150 nan 8.290 nan 0.000 0.466 265 L N 1.798 122.916 121.223 -0.174 0.000 2.187 265 L HA -0.217 4.123 4.340 0.001 0.000 0.213 265 L C 1.635 178.206 176.870 -0.499 0.000 1.100 265 L CA 1.052 55.729 54.840 -0.271 0.000 0.765 265 L CB -0.609 41.258 42.059 -0.321 0.000 0.904 265 L HN 0.612 nan 8.230 nan 0.000 0.437 266 E N 0.008 119.913 120.200 -0.492 0.000 2.219 266 E HA -0.206 4.144 4.350 0.001 0.000 0.198 266 E C 2.038 178.637 176.600 -0.003 0.000 0.998 266 E CA 1.805 58.023 56.400 -0.303 0.000 0.818 266 E CB -0.335 29.315 29.700 -0.083 0.000 0.741 266 E HN 0.576 nan 8.360 nan 0.000 0.477 267 T N -2.057 112.512 114.554 0.025 0.000 3.144 267 T HA 0.188 4.539 4.350 0.001 0.000 0.249 267 T C 0.714 175.548 174.700 0.224 0.000 1.089 267 T CA -0.287 61.892 62.100 0.131 0.000 0.989 267 T CB -0.205 68.715 68.868 0.087 0.000 0.992 267 T HN -0.045 nan 8.240 nan 0.000 0.540 268 I N 2.156 122.851 120.570 0.208 0.000 2.618 268 I HA 0.195 4.366 4.170 0.001 0.000 0.284 268 I C 0.425 176.667 176.117 0.207 0.000 1.146 268 I CA -0.214 61.211 61.300 0.208 0.000 1.425 268 I CB 0.797 38.915 38.000 0.197 0.000 1.383 268 I HN 0.159 nan 8.210 nan 0.000 0.562 269 K N 5.586 126.034 120.400 0.081 0.000 2.138 269 K HA 0.597 4.918 4.320 0.001 0.000 0.263 269 K C -1.365 175.121 176.600 -0.189 0.000 0.965 269 K CA -0.578 55.566 56.287 -0.239 0.000 0.868 269 K CB 1.617 33.888 32.500 -0.381 0.000 1.083 269 K HN 0.353 nan 8.250 nan 0.000 0.443 270 V N 3.114 122.862 119.914 -0.277 0.000 2.555 270 V HA 0.416 4.537 4.120 0.001 0.000 0.302 270 V C -0.440 175.520 176.094 -0.224 0.000 1.038 270 V CA -0.568 61.608 62.300 -0.207 0.000 0.887 270 V CB 1.566 33.284 31.823 -0.174 0.000 0.991 270 V HN 1.004 nan 8.190 nan 0.000 0.434 271 S N 4.128 119.734 115.700 -0.158 0.000 2.671 271 S HA 0.638 5.108 4.470 0.001 0.000 0.299 271 S C -2.391 172.151 174.600 -0.096 0.000 1.116 271 S CA -1.607 56.514 58.200 -0.131 0.000 0.912 271 S CB 2.297 65.435 63.200 -0.104 0.000 1.130 271 S HN 0.368 nan 8.310 nan 0.000 0.501 272 P HA -0.074 nan 4.420 nan 0.000 0.218 272 P C 1.320 178.594 177.300 -0.044 0.000 1.148 272 P CA 1.189 64.253 63.100 -0.060 0.000 0.822 272 P CB 0.074 31.743 31.700 -0.051 0.000 0.784 273 Q N -1.372 118.408 119.800 -0.033 0.000 2.311 273 Q HA -0.033 4.307 4.340 0.001 0.000 0.203 273 Q C 1.742 177.744 176.000 0.003 0.000 0.954 273 Q CA 1.784 57.580 55.803 -0.012 0.000 0.885 273 Q CB -0.778 27.957 28.738 -0.005 0.000 0.963 273 Q HN 0.392 nan 8.270 nan 0.000 0.471 274 T N -3.823 110.725 114.554 -0.011 0.000 3.023 274 T HA 0.182 4.532 4.350 0.001 0.000 0.253 274 T C 1.680 176.313 174.700 -0.111 0.000 1.038 274 T CA -0.158 61.945 62.100 0.005 0.000 0.962 274 T CB 0.091 69.006 68.868 0.080 0.000 1.018 274 T HN -0.007 nan 8.240 nan 0.000 0.521 275 M N 1.670 121.205 119.600 -0.108 0.000 2.086 275 M HA -0.108 4.372 4.480 0.001 0.000 0.261 275 M C 1.380 177.608 176.300 -0.118 0.000 1.067 275 M CA 2.101 57.320 55.300 -0.135 0.000 1.116 275 M CB -0.258 32.279 32.600 -0.105 0.000 1.348 275 M HN 0.091 nan 8.290 nan 0.000 0.407 276 D N 0.008 120.366 120.400 -0.070 0.000 2.104 276 D HA -0.124 4.516 4.640 0.001 0.000 0.194 276 D C 1.852 178.128 176.300 -0.040 0.000 0.994 276 D CA 1.735 55.708 54.000 -0.045 0.000 0.830 276 D CB -0.721 40.066 40.800 -0.022 0.000 0.959 276 D HN 0.578 nan 8.370 nan 0.000 0.452 277 G N 0.224 109.010 108.800 -0.023 0.000 2.422 277 G HA2 -0.199 3.761 3.960 0.001 0.000 0.218 277 G HA3 -0.199 3.761 3.960 0.001 0.000 0.218 277 G C 1.750 176.616 174.900 -0.057 0.000 1.146 277 G CA 0.304 45.424 45.100 0.034 0.000 0.769 277 G HN 0.257 nan 8.290 nan 0.000 0.547 278 I N 0.306 120.682 120.570 -0.324 0.000 2.179 278 I HA -0.126 4.044 4.170 0.001 0.000 0.242 278 I C 2.653 178.678 176.117 -0.153 0.000 1.088 278 I CA 0.746 61.788 61.300 -0.429 0.000 1.357 278 I CB -0.115 37.546 38.000 -0.565 0.000 1.051 278 I HN 0.118 nan 8.210 nan 0.000 0.409 279 L N 0.224 121.385 121.223 -0.104 0.000 2.093 279 L HA -0.210 4.131 4.340 0.001 0.000 0.208 279 L C 2.509 179.373 176.870 -0.010 0.000 1.085 279 L CA 1.079 55.896 54.840 -0.037 0.000 0.755 279 L CB -0.506 41.534 42.059 -0.031 0.000 0.904 279 L HN 0.155 nan 8.230 nan 0.000 0.435 280 K N 0.073 120.466 120.400 -0.011 0.000 2.097 280 K HA -0.099 4.221 4.320 0.001 0.000 0.205 280 K C 2.166 178.773 176.600 0.012 0.000 1.050 280 K CA 1.521 57.812 56.287 0.006 0.000 0.938 280 K CB -0.137 32.373 32.500 0.017 0.000 0.718 280 K HN 0.059 nan 8.250 nan 0.000 0.442 281 S N 0.547 116.264 115.700 0.028 0.000 2.348 281 S HA -0.086 4.384 4.470 0.001 0.000 0.221 281 S C 1.854 176.459 174.600 0.009 0.000 1.033 281 S CA 1.499 59.724 58.200 0.042 0.000 1.010 281 S CB -0.387 62.878 63.200 0.108 0.000 0.891 281 S HN 0.290 nan 8.310 nan 0.000 0.442 282 I N 1.635 122.212 120.570 0.011 0.000 2.145 282 I HA -0.268 3.902 4.170 0.001 0.000 0.244 282 I C 2.132 178.213 176.117 -0.060 0.000 1.075 282 I CA 1.332 62.637 61.300 0.010 0.000 1.332 282 I CB -0.478 37.575 38.000 0.087 0.000 1.033 282 I HN 0.251 nan 8.210 nan 0.000 0.410 283 L N 0.243 121.444 121.223 -0.037 0.000 2.046 283 L HA -0.229 4.112 4.340 0.001 0.000 0.208 283 L C 2.660 179.470 176.870 -0.101 0.000 1.077 283 L CA 1.362 56.158 54.840 -0.073 0.000 0.747 283 L CB -0.625 41.418 42.059 -0.025 0.000 0.896 283 L HN 0.263 nan 8.230 nan 0.000 0.432 284 K N 0.310 120.671 120.400 -0.065 0.000 2.009 284 K HA -0.186 4.135 4.320 0.001 0.000 0.210 284 K C 2.012 178.551 176.600 -0.101 0.000 1.049 284 K CA 1.727 57.976 56.287 -0.064 0.000 0.929 284 K CB -0.054 32.427 32.500 -0.032 0.000 0.714 284 K HN 0.084 nan 8.250 nan 0.000 0.440 285 V N 1.955 121.798 119.914 -0.118 0.000 2.332 285 V HA -0.252 3.868 4.120 0.001 0.000 0.248 285 V C 2.477 178.400 176.094 -0.286 0.000 1.055 285 V CA 1.956 64.155 62.300 -0.169 0.000 1.038 285 V CB -0.518 31.212 31.823 -0.154 0.000 0.651 285 V HN 0.422 nan 8.190 nan 0.000 0.450 286 K N 0.375 120.557 120.400 -0.365 0.000 2.147 286 K HA -0.247 4.074 4.320 0.001 0.000 0.205 286 K C 2.281 178.681 176.600 -0.333 0.000 1.049 286 K CA 1.792 57.764 56.287 -0.526 0.000 0.936 286 K CB -0.099 32.014 32.500 -0.645 0.000 0.722 286 K HN 0.443 nan 8.250 nan 0.000 0.446 287 K N 0.062 120.334 120.400 -0.213 0.000 2.025 287 K HA -0.078 4.242 4.320 0.001 0.000 0.207 287 K C 1.998 178.529 176.600 -0.115 0.000 1.049 287 K CA 1.142 57.348 56.287 -0.135 0.000 0.933 287 K CB -0.165 32.281 32.500 -0.091 0.000 0.714 287 K HN 0.169 nan 8.250 nan 0.000 0.438 288 A N 0.921 123.672 122.820 -0.114 0.000 1.972 288 A HA -0.074 4.246 4.320 0.001 0.000 0.219 288 A C 1.899 179.436 177.584 -0.079 0.000 1.169 288 A CA 1.262 53.251 52.037 -0.080 0.000 0.635 288 A CB -0.335 18.625 19.000 -0.066 0.000 0.810 288 A HN 0.345 nan 8.150 nan 0.000 0.446 289 L N -1.767 119.369 121.223 -0.145 0.000 2.590 289 L HA 0.307 4.647 4.340 0.001 0.000 0.227 289 L C 1.391 178.210 176.870 -0.084 0.000 1.099 289 L CA 0.362 55.136 54.840 -0.112 0.000 0.872 289 L CB -0.139 41.804 42.059 -0.193 0.000 1.088 289 L HN 0.480 nan 8.230 nan 0.000 0.479 290 G N 1.463 110.180 108.800 -0.138 0.000 2.298 290 G HA2 -0.281 3.680 3.960 0.001 0.000 0.287 290 G HA3 -0.281 3.680 3.960 0.001 0.000 0.287 290 G C 0.181 175.022 174.900 -0.098 0.000 1.075 290 G CA -0.013 45.049 45.100 -0.063 0.000 0.960 290 G HN 0.218 nan 8.290 nan 0.000 0.502 291 M N -0.861 118.385 119.600 -0.590 0.000 2.240 291 M HA 0.627 5.107 4.480 0.001 0.000 0.333 291 M C 0.651 176.714 176.300 -0.395 0.000 1.110 291 M CA 0.235 54.821 55.300 -1.190 0.000 1.173 291 M CB 0.408 31.913 32.600 -1.825 0.000 1.458 291 M HN 0.542 nan 8.290 nan 0.000 0.458 292 F N -0.744 119.154 119.950 -0.087 0.000 2.662 292 F HA 0.689 5.217 4.527 0.001 0.000 0.312 292 F C -1.318 174.751 175.800 0.448 0.000 1.113 292 F CA -1.553 56.573 58.000 0.210 0.000 0.951 292 F CB 0.794 39.904 39.000 0.184 0.000 1.344 292 F HN 0.207 nan 8.300 nan 0.000 0.462 293 I N 2.311 123.200 120.570 0.532 0.000 2.395 293 I HA 0.273 4.444 4.170 0.001 0.000 0.289 293 I C 0.470 176.878 176.117 0.484 0.000 1.023 293 I CA 0.024 61.527 61.300 0.338 0.000 1.350 293 I CB 1.152 39.269 38.000 0.194 0.000 1.409 293 I HN 0.813 nan 8.210 nan 0.000 0.507 294 S N 4.281 120.213 115.700 0.386 0.000 2.669 294 S HA 0.225 4.695 4.470 0.001 0.000 0.270 294 S C 0.418 175.182 174.600 0.273 0.000 1.225 294 S CA -0.521 57.958 58.200 0.464 0.000 0.991 294 S CB 1.004 64.408 63.200 0.340 0.000 0.987 294 S HN 0.683 nan 8.310 nan 0.000 0.552 295 D N 0.855 121.398 120.400 0.238 0.000 2.525 295 D HA 0.157 4.798 4.640 0.001 0.000 0.229 295 D C -0.508 175.858 176.300 0.110 0.000 1.202 295 D CA -0.247 53.853 54.000 0.167 0.000 0.828 295 D CB -0.385 40.556 40.800 0.236 0.000 1.008 295 D HN 0.289 nan 8.370 nan 0.000 0.493 296 T N 3.093 117.712 114.554 0.108 0.000 2.756 296 T HA 0.392 4.743 4.350 0.001 0.000 0.290 296 T C -2.570 172.154 174.700 0.041 0.000 0.985 296 T CA -1.300 60.842 62.100 0.070 0.000 0.955 296 T CB 1.936 70.851 68.868 0.079 0.000 0.930 296 T HN 0.097 nan 8.240 nan 0.000 0.451 297 P HA 0.514 nan 4.420 nan 0.000 0.271 297 P C 0.457 177.756 177.300 -0.000 0.000 1.218 297 P CA 0.377 63.478 63.100 0.002 0.000 0.780 297 P CB 0.978 32.674 31.700 -0.008 0.000 0.901 298 G N 1.238 110.031 108.800 -0.011 0.000 2.260 298 G HA2 -0.050 3.910 3.960 0.001 0.000 0.250 298 G HA3 -0.050 3.910 3.960 0.001 0.000 0.250 298 G C -1.201 173.685 174.900 -0.023 0.000 1.340 298 G CA -0.699 44.392 45.100 -0.016 0.000 1.056 298 G HN 0.484 nan 8.290 nan 0.000 0.471 299 E N 0.469 120.654 120.200 -0.026 0.000 2.390 299 E HA 0.341 4.691 4.350 0.001 0.000 0.261 299 E C 0.329 176.913 176.600 -0.028 0.000 1.076 299 E CA -0.139 56.242 56.400 -0.033 0.000 0.905 299 E CB 0.717 30.392 29.700 -0.042 0.000 0.984 299 E HN 0.347 nan 8.360 nan 0.000 0.427 300 R N 2.254 122.739 120.500 -0.025 0.000 2.347 300 R HA 0.032 4.373 4.340 0.001 0.000 0.304 300 R C 0.233 176.538 176.300 0.008 0.000 1.072 300 R CA -0.404 55.692 56.100 -0.008 0.000 0.980 300 R CB 0.236 30.530 30.300 -0.009 0.000 0.986 300 R HN 0.510 nan 8.270 nan 0.000 0.448 301 N N 3.662 122.371 118.700 0.015 0.000 2.354 301 N HA 0.089 4.830 4.740 0.001 0.000 0.246 301 N C -2.111 173.492 175.510 0.154 0.000 1.285 301 N CA -1.379 51.683 53.050 0.020 0.000 0.925 301 N CB 0.301 38.748 38.487 -0.067 0.000 1.174 301 N HN 0.115 nan 8.380 nan 0.000 0.478 302 P HA -0.143 nan 4.420 nan 0.000 0.216 302 P C 0.888 178.413 177.300 0.375 0.000 1.150 302 P CA 1.176 64.477 63.100 0.335 0.000 0.837 302 P CB -0.170 31.775 31.700 0.410 0.000 0.786 303 Y N 1.202 121.679 120.300 0.296 0.000 2.153 303 Y HA -0.132 4.419 4.550 0.002 0.000 0.289 303 Y C 2.070 178.036 175.900 0.109 0.000 1.127 303 Y CA 1.371 59.544 58.100 0.120 0.000 1.131 303 Y CB -0.960 37.473 38.460 -0.044 0.000 0.995 303 Y HN -0.033 nan 8.280 nan 0.000 0.505 304 E N -0.187 119.998 120.200 -0.024 0.000 2.070 304 E HA -0.301 4.050 4.350 0.001 0.000 0.197 304 E C 2.005 178.592 176.600 -0.020 0.000 1.004 304 E CA 1.594 57.935 56.400 -0.099 0.000 0.805 304 E CB -0.300 29.404 29.700 0.007 0.000 0.744 304 E HN 0.420 nan 8.360 nan 0.000 0.451 305 N N 0.763 119.494 118.700 0.051 0.000 2.171 305 N HA -0.110 4.631 4.740 0.001 0.000 0.184 305 N C 1.736 177.253 175.510 0.011 0.000 1.021 305 N CA 0.711 53.795 53.050 0.057 0.000 0.854 305 N CB -0.059 38.496 38.487 0.113 0.000 0.994 305 N HN 0.146 nan 8.380 nan 0.000 0.426 306 I N -0.459 120.151 120.570 0.067 0.000 2.315 306 I HA -0.155 4.015 4.170 0.001 0.000 0.248 306 I C 1.899 177.996 176.117 -0.033 0.000 1.117 306 I CA 0.724 62.052 61.300 0.047 0.000 1.404 306 I CB -0.066 38.069 38.000 0.226 0.000 1.071 306 I HN 0.167 nan 8.210 nan 0.000 0.419 307 L N 0.004 121.182 121.223 -0.076 0.000 2.027 307 L HA -0.244 4.097 4.340 0.001 0.000 0.206 307 L C 2.310 179.129 176.870 -0.085 0.000 1.074 307 L CA 1.961 56.729 54.840 -0.119 0.000 0.745 307 L CB -1.149 40.732 42.059 -0.297 0.000 0.898 307 L HN 0.361 nan 8.230 nan 0.000 0.433 308 Y N 0.395 120.625 120.300 -0.118 0.000 2.114 308 Y HA -0.330 4.220 4.550 0.000 0.000 0.282 308 Y C 2.564 178.392 175.900 -0.119 0.000 1.165 308 Y CA 2.385 60.437 58.100 -0.080 0.000 1.148 308 Y CB -0.070 38.359 38.460 -0.052 0.000 0.972 308 Y HN 0.175 nan 8.280 nan 0.000 0.504 309 K N -0.297 120.070 120.400 -0.055 0.000 2.031 309 K HA -0.098 4.223 4.320 0.001 0.000 0.205 309 K C 1.990 178.476 176.600 -0.189 0.000 1.049 309 K CA 1.729 57.928 56.287 -0.147 0.000 0.939 309 K CB -0.240 32.042 32.500 -0.363 0.000 0.717 309 K HN 0.307 nan 8.250 nan 0.000 0.438 310 I N 0.546 121.015 120.570 -0.168 0.000 2.286 310 I HA -0.324 3.847 4.170 0.001 0.000 0.248 310 I C 2.037 178.055 176.117 -0.165 0.000 1.115 310 I CA 0.919 62.136 61.300 -0.138 0.000 1.392 310 I CB -0.174 37.767 38.000 -0.099 0.000 1.065 310 I HN 0.226 nan 8.210 nan 0.000 0.418 311 C N 0.036 119.213 119.300 -0.205 0.000 2.456 311 C HA -0.011 4.450 4.460 0.001 0.000 0.279 311 C C 2.600 177.421 174.990 -0.283 0.000 1.427 311 C CA -0.172 58.715 59.018 -0.219 0.000 1.778 311 C CB -0.914 26.708 27.740 -0.198 0.000 1.842 311 C HN 0.475 nan 8.230 nan 0.000 0.531 312 L N 1.140 122.152 121.223 -0.352 0.000 2.081 312 L HA -0.033 4.308 4.340 0.001 0.000 0.212 312 L C 0.954 177.702 176.870 -0.204 0.000 1.080 312 L CA 1.983 56.630 54.840 -0.322 0.000 0.754 312 L CB -0.214 41.692 42.059 -0.254 0.000 0.893 312 L HN 0.382 nan 8.230 nan 0.000 0.433 313 S N -2.858 112.744 115.700 -0.164 0.000 2.548 313 S HA 0.509 4.979 4.470 0.001 0.000 0.278 313 S C 0.524 175.053 174.600 -0.119 0.000 1.150 313 S CA -0.348 57.778 58.200 -0.125 0.000 0.907 313 S CB 0.899 64.041 63.200 -0.096 0.000 1.108 313 S HN 0.218 nan 8.310 nan 0.000 0.459 314 G N 1.522 110.257 108.800 -0.108 0.000 2.813 314 G HA2 0.153 4.113 3.960 0.001 0.000 0.209 314 G HA3 0.153 4.113 3.960 0.001 0.000 0.209 314 G C -0.008 174.820 174.900 -0.119 0.000 1.150 314 G CA 0.281 45.316 45.100 -0.107 0.000 0.785 314 G HN 0.643 nan 8.290 nan 0.000 0.535 315 D N -0.351 119.977 120.400 -0.120 0.000 2.389 315 D HA 0.523 5.164 4.640 0.001 0.000 0.256 315 D C 0.399 176.599 176.300 -0.167 0.000 1.239 315 D CA 0.304 54.216 54.000 -0.146 0.000 0.925 315 D CB 0.812 41.550 40.800 -0.104 0.000 1.145 315 D HN 0.253 nan 8.370 nan 0.000 0.542 316 G N 2.165 110.792 108.800 -0.289 0.000 2.398 316 G HA2 0.058 4.018 3.960 0.001 0.000 0.251 316 G HA3 0.058 4.018 3.960 0.001 0.000 0.251 316 G C -1.649 172.999 174.900 -0.420 0.000 1.277 316 G CA -0.817 44.095 45.100 -0.314 0.000 0.927 316 G HN 0.149 nan 8.290 nan 0.000 0.477 317 W N 1.897 123.213 121.300 0.027 0.000 2.413 317 W HA 0.377 5.037 4.660 -0.001 0.000 0.308 317 W C -1.871 174.688 176.519 0.068 0.000 0.997 317 W CA -1.376 56.005 57.345 0.060 0.000 1.447 317 W CB 1.909 31.408 29.460 0.064 0.000 1.263 317 W HN 0.375 nan 8.180 nan 0.000 0.416 318 P HA -0.222 nan 4.420 nan 0.000 0.218 318 P C 0.861 178.191 177.300 0.050 0.000 1.148 318 P CA 1.753 64.891 63.100 0.064 0.000 0.822 318 P CB 0.358 32.040 31.700 -0.029 0.000 0.784 319 Y N -0.684 119.702 120.300 0.143 0.000 2.524 319 Y HA 0.128 4.678 4.550 0.001 0.000 0.270 319 Y C 2.131 178.094 175.900 0.106 0.000 1.094 319 Y CA 0.207 58.381 58.100 0.124 0.000 1.276 319 Y CB -0.080 38.458 38.460 0.130 0.000 1.130 319 Y HN -0.114 nan 8.280 nan 0.000 0.536 320 I N -3.847 116.893 120.570 0.283 0.000 4.526 320 I HA 0.526 4.697 4.170 0.001 0.000 0.330 320 I C 0.761 176.925 176.117 0.078 0.000 1.323 320 I CA -0.717 60.674 61.300 0.151 0.000 1.218 320 I CB -0.352 37.709 38.000 0.102 0.000 1.233 320 I HN -0.162 nan 8.210 nan 0.000 0.430 321 A N 0.983 123.895 122.820 0.153 0.000 2.272 321 A HA 0.692 5.013 4.320 0.001 0.000 0.275 321 A C 0.420 178.043 177.584 0.066 0.000 1.096 321 A CA 0.097 52.201 52.037 0.111 0.000 0.822 321 A CB 0.183 19.364 19.000 0.302 0.000 1.088 321 A HN 0.334 nan 8.150 nan 0.000 0.495 322 S N -0.983 114.741 115.700 0.039 0.000 2.505 322 S HA 0.324 4.794 4.470 0.001 0.000 0.276 322 S C 0.655 175.274 174.600 0.031 0.000 1.274 322 S CA -0.273 57.935 58.200 0.013 0.000 1.053 322 S CB 0.110 63.307 63.200 -0.005 0.000 0.919 322 S HN 0.598 nan 8.310 nan 0.000 0.490 323 R N 1.647 122.153 120.500 0.011 0.000 2.509 323 R HA 0.109 4.449 4.340 0.001 0.000 0.297 323 R C 1.868 178.159 176.300 -0.014 0.000 0.951 323 R CA 0.653 56.758 56.100 0.009 0.000 1.103 323 R CB 0.131 30.442 30.300 0.019 0.000 1.283 323 R HN 0.844 nan 8.270 nan 0.000 0.534 324 T N -2.542 111.996 114.554 -0.028 0.000 3.025 324 T HA -0.026 4.325 4.350 0.001 0.000 0.270 324 T C 1.536 176.210 174.700 -0.043 0.000 1.126 324 T CA 1.206 63.277 62.100 -0.049 0.000 1.105 324 T CB -0.000 68.828 68.868 -0.067 0.000 0.884 324 T HN -0.101 nan 8.240 nan 0.000 0.522 325 S N 0.466 116.149 115.700 -0.028 0.000 2.556 325 S HA 0.370 4.841 4.470 0.001 0.000 0.216 325 S C 0.531 175.113 174.600 -0.031 0.000 0.970 325 S CA -0.458 57.725 58.200 -0.028 0.000 0.912 325 S CB -0.143 63.046 63.200 -0.017 0.000 0.790 325 S HN 0.460 nan 8.310 nan 0.000 0.504 326 I N 3.446 123.995 120.570 -0.034 0.000 2.519 326 I HA 0.187 4.357 4.170 0.001 0.000 0.287 326 I C 0.826 176.911 176.117 -0.054 0.000 1.047 326 I CA 0.022 61.295 61.300 -0.045 0.000 1.381 326 I CB 0.752 38.722 38.000 -0.050 0.000 1.417 326 I HN 0.113 nan 8.210 nan 0.000 0.540 327 T N 1.570 116.087 114.554 -0.062 0.000 2.902 327 T HA 0.759 5.110 4.350 0.001 0.000 0.283 327 T C 0.231 174.873 174.700 -0.096 0.000 1.009 327 T CA -0.318 61.742 62.100 -0.067 0.000 1.051 327 T CB 1.843 70.678 68.868 -0.055 0.000 0.999 327 T HN 1.192 nan 8.240 nan 0.000 0.474 328 G N 1.540 110.276 108.800 -0.108 0.000 2.707 328 G HA2 0.033 3.993 3.960 0.001 0.000 0.686 328 G HA3 0.033 3.993 3.960 0.001 0.000 0.686 328 G C -0.901 173.848 174.900 -0.251 0.000 1.315 328 G CA -1.114 43.884 45.100 -0.169 0.000 0.832 328 G HN 0.813 nan 8.290 nan 0.000 0.573 329 R N 0.078 120.315 120.500 -0.438 0.000 2.782 329 R HA 0.775 5.115 4.340 0.001 0.000 0.258 329 R C 1.763 177.575 176.300 -0.814 0.000 1.055 329 R CA -0.068 55.614 56.100 -0.695 0.000 1.065 329 R CB 0.919 30.432 30.300 -1.310 0.000 1.172 329 R HN 1.180 nan 8.270 nan 0.000 0.510 330 A N 0.934 123.189 122.820 -0.942 0.000 1.908 330 A HA -0.185 4.136 4.320 0.001 0.000 0.218 330 A C 1.519 178.844 177.584 -0.432 0.000 1.181 330 A CA 1.869 53.438 52.037 -0.780 0.000 0.627 330 A CB -0.674 17.609 19.000 -1.195 0.000 0.818 330 A HN 0.849 nan 8.150 nan 0.000 0.445 331 W N -0.368 120.847 121.300 -0.142 0.000 3.180 331 W HA 0.358 5.019 4.660 0.002 0.000 0.254 331 W C 1.045 177.533 176.519 -0.051 0.000 1.318 331 W CA 0.503 57.803 57.345 -0.075 0.000 1.608 331 W CB -0.189 29.257 29.460 -0.023 0.000 1.124 331 W HN 0.361 nan 8.180 nan 0.000 0.694 332 E N 0.448 120.430 120.200 -0.363 0.000 2.244 332 E HA -0.054 4.296 4.350 0.001 0.000 0.196 332 E C 1.542 178.058 176.600 -0.141 0.000 0.939 332 E CA 0.470 56.766 56.400 -0.174 0.000 0.884 332 E CB -0.069 29.480 29.700 -0.252 0.000 0.850 332 E HN 0.126 nan 8.360 nan 0.000 0.481 333 N N 0.184 118.758 118.700 -0.210 0.000 2.416 333 N HA -0.002 4.738 4.740 0.001 0.000 0.177 333 N C -0.219 175.218 175.510 -0.122 0.000 1.036 333 N CA 0.739 53.690 53.050 -0.164 0.000 0.901 333 N CB 0.614 38.979 38.487 -0.203 0.000 0.976 333 N HN -0.080 nan 8.380 nan 0.000 0.444 334 T N 0.782 115.271 114.554 -0.109 0.000 2.841 334 T HA 0.524 4.874 4.350 0.001 0.000 0.285 334 T C -0.434 174.253 174.700 -0.022 0.000 0.991 334 T CA -0.725 61.333 62.100 -0.070 0.000 0.966 334 T CB 2.063 70.881 68.868 -0.084 0.000 0.962 334 T HN -0.057 nan 8.240 nan 0.000 0.438 335 V N 1.210 121.116 119.914 -0.013 0.000 2.914 335 V HA 0.899 5.020 4.120 0.001 0.000 0.314 335 V C -0.689 175.409 176.094 0.008 0.000 1.084 335 V CA -0.888 61.419 62.300 0.012 0.000 0.963 335 V CB 1.927 33.760 31.823 0.017 0.000 1.025 335 V HN 0.563 nan 8.190 nan 0.000 0.432 336 V N 2.769 122.693 119.914 0.017 0.000 2.394 336 V HA 0.447 4.568 4.120 0.001 0.000 0.282 336 V C -0.476 175.624 176.094 0.011 0.000 1.031 336 V CA -0.024 62.283 62.300 0.012 0.000 0.881 336 V CB 1.342 33.175 31.823 0.017 0.000 0.982 336 V HN 1.061 nan 8.190 nan 0.000 0.451 337 D N 5.164 125.567 120.400 0.005 0.000 2.467 337 D HA 0.491 5.132 4.640 0.001 0.000 0.220 337 D C -0.442 175.860 176.300 0.004 0.000 1.103 337 D CA -0.319 53.684 54.000 0.005 0.000 0.886 337 D CB 0.696 41.497 40.800 0.001 0.000 1.025 337 D HN 0.336 nan 8.370 nan 0.000 0.514 365 L N 1.779 122.976 121.223 -0.043 0.000 2.416 365 L HA 0.432 4.773 4.340 0.001 0.000 0.272 365 L C 1.733 178.588 176.870 -0.024 0.000 1.161 365 L CA -0.070 54.741 54.840 -0.049 0.000 0.845 365 L CB 0.861 42.875 42.059 -0.075 0.000 1.119 365 L HN 0.814 nan 8.230 nan 0.000 0.464 366 T N -0.439 114.104 114.554 -0.019 0.000 2.802 366 T HA 0.002 4.353 4.350 0.001 0.000 0.305 366 T C 1.125 175.845 174.700 0.033 0.000 1.053 366 T CA 0.004 62.114 62.100 0.016 0.000 1.058 366 T CB 0.209 69.082 68.868 0.009 0.000 0.988 366 T HN 0.537 nan 8.240 nan 0.000 0.539 367 Y N 1.657 121.935 120.300 -0.035 0.000 2.207 367 Y HA -0.136 4.415 4.550 0.001 0.000 0.287 367 Y C 2.593 178.470 175.900 -0.037 0.000 1.156 367 Y CA 2.119 60.199 58.100 -0.033 0.000 1.182 367 Y CB -0.720 37.725 38.460 -0.024 0.000 0.979 367 Y HN 0.689 nan 8.280 nan 0.000 0.521 368 S N 0.097 115.730 115.700 -0.112 0.000 2.387 368 S HA -0.190 4.280 4.470 0.001 0.000 0.226 368 S C 1.790 176.256 174.600 -0.222 0.000 1.026 368 S CA 1.325 59.397 58.200 -0.214 0.000 0.972 368 S CB -0.261 62.901 63.200 -0.062 0.000 0.814 368 S HN 0.602 nan 8.310 nan 0.000 0.477 369 Q N 0.240 119.944 119.800 -0.160 0.000 2.119 369 Q HA -0.027 4.314 4.340 0.001 0.000 0.201 369 Q C 2.156 178.056 176.000 -0.166 0.000 0.972 369 Q CA 0.922 56.635 55.803 -0.150 0.000 0.847 369 Q CB -0.248 28.422 28.738 -0.112 0.000 0.903 369 Q HN 0.341 nan 8.270 nan 0.000 0.433 370 L N 0.104 121.217 121.223 -0.183 0.000 2.093 370 L HA -0.119 4.222 4.340 0.001 0.000 0.208 370 L C 2.046 178.790 176.870 -0.210 0.000 1.085 370 L CA 1.588 56.325 54.840 -0.173 0.000 0.755 370 L CB -0.172 41.807 42.059 -0.132 0.000 0.904 370 L HN 0.240 nan 8.230 nan 0.000 0.435 371 M N -1.656 117.750 119.600 -0.323 0.000 2.175 371 M HA -0.183 4.298 4.480 0.001 0.000 0.264 371 M C 2.043 178.232 176.300 -0.184 0.000 1.063 371 M CA 1.944 57.071 55.300 -0.289 0.000 1.119 371 M CB -0.622 31.718 32.600 -0.434 0.000 1.377 371 M HN 0.254 nan 8.290 nan 0.000 0.415 372 T N 1.444 115.891 114.554 -0.178 0.000 2.684 372 T HA -0.166 4.184 4.350 0.001 0.000 0.267 372 T C 1.689 176.326 174.700 -0.104 0.000 1.036 372 T CA 1.367 63.390 62.100 -0.128 0.000 1.148 372 T CB -0.374 68.415 68.868 -0.132 0.000 0.863 372 T HN 0.263 nan 8.240 nan 0.000 0.436 373 L N 1.302 122.456 121.223 -0.116 0.000 2.017 373 L HA -0.046 4.295 4.340 0.001 0.000 0.208 373 L C 2.209 179.029 176.870 -0.083 0.000 1.073 373 L CA 1.847 56.626 54.840 -0.102 0.000 0.745 373 L CB -0.558 41.428 42.059 -0.122 0.000 0.894 373 L HN 0.079 nan 8.230 nan 0.000 0.432 374 K N -0.487 119.860 120.400 -0.087 0.000 2.063 374 K HA -0.200 4.120 4.320 0.001 0.000 0.208 374 K C 1.811 178.383 176.600 -0.047 0.000 1.048 374 K CA 1.755 58.003 56.287 -0.064 0.000 0.928 374 K CB -0.332 32.128 32.500 -0.067 0.000 0.713 374 K HN 0.396 nan 8.250 nan 0.000 0.442 375 D N 0.392 120.759 120.400 -0.054 0.000 2.117 375 D HA -0.084 4.556 4.640 0.001 0.000 0.198 375 D C 1.812 178.096 176.300 -0.026 0.000 0.982 375 D CA 1.213 55.191 54.000 -0.037 0.000 0.828 375 D CB -0.199 40.575 40.800 -0.043 0.000 0.967 375 D HN 0.187 nan 8.370 nan 0.000 0.464 376 A N 0.774 123.572 122.820 -0.036 0.000 1.940 376 A HA -0.187 4.134 4.320 0.001 0.000 0.219 376 A C 2.047 179.618 177.584 -0.021 0.000 1.176 376 A CA 1.315 53.336 52.037 -0.028 0.000 0.631 376 A CB -0.476 18.500 19.000 -0.040 0.000 0.814 376 A HN 0.135 nan 8.150 nan 0.000 0.446 377 M N -0.375 119.210 119.600 -0.025 0.000 2.446 377 M HA -0.007 4.474 4.480 0.001 0.000 0.263 377 M C 1.645 177.944 176.300 -0.003 0.000 1.066 377 M CA 0.881 56.171 55.300 -0.017 0.000 1.087 377 M CB -1.150 31.437 32.600 -0.022 0.000 1.406 377 M HN 0.405 nan 8.290 nan 0.000 0.459 378 L N -0.627 120.601 121.223 0.008 0.000 2.549 378 L HA -0.151 4.190 4.340 0.001 0.000 0.229 378 L C 2.449 179.358 176.870 0.064 0.000 1.158 378 L CA 0.576 55.438 54.840 0.037 0.000 0.842 378 L CB -0.662 41.417 42.059 0.033 0.000 0.952 378 L HN 0.401 nan 8.230 nan 0.000 0.452 379 Q N 0.617 120.440 119.800 0.038 0.000 2.230 379 Q HA -0.058 4.282 4.340 0.001 0.000 0.202 379 Q C 0.928 176.937 176.000 0.016 0.000 0.963 379 Q CA 0.369 56.199 55.803 0.046 0.000 0.866 379 Q CB 0.200 28.950 28.738 0.020 0.000 0.931 379 Q HN 0.453 nan 8.270 nan 0.000 0.452 380 L N 2.195 123.401 121.223 -0.029 0.000 2.485 380 L HA -0.018 4.323 4.340 0.001 0.000 0.275 380 L C 0.173 176.879 176.870 -0.274 0.000 1.207 380 L CA -0.191 54.584 54.840 -0.108 0.000 0.855 380 L CB 0.226 42.236 42.059 -0.082 0.000 1.114 380 L HN 0.100 nan 8.230 nan 0.000 0.485 381 D N 5.162 125.286 120.400 -0.459 0.000 2.380 381 D HA 0.149 4.789 4.640 0.001 0.000 0.230 381 D C -1.561 174.460 176.300 -0.466 0.000 1.154 381 D CA -2.194 51.251 54.000 -0.926 0.000 0.859 381 D CB 1.385 41.644 40.800 -0.902 0.000 1.045 381 D HN 0.199 nan 8.370 nan 0.000 0.495 382 P HA -0.081 nan 4.420 nan 0.000 0.228 382 P C 0.172 177.396 177.300 -0.127 0.000 1.151 382 P CA 0.767 63.775 63.100 -0.153 0.000 0.770 382 P CB 0.385 32.044 31.700 -0.069 0.000 0.786 383 N N -0.283 118.325 118.700 -0.153 0.000 2.405 383 N HA 0.117 4.858 4.740 0.001 0.000 0.175 383 N C 0.871 176.319 175.510 -0.102 0.000 1.051 383 N CA 0.025 53.022 53.050 -0.089 0.000 0.899 383 N CB -0.208 38.260 38.487 -0.031 0.000 1.000 383 N HN 0.088 nan 8.380 nan 0.000 0.451 384 A N 1.034 123.767 122.820 -0.144 0.000 2.332 384 A HA 0.179 4.499 4.320 0.001 0.000 0.258 384 A C 0.266 177.775 177.584 -0.125 0.000 1.087 384 A CA -0.473 51.489 52.037 -0.125 0.000 0.802 384 A CB 0.288 19.202 19.000 -0.143 0.000 1.042 384 A HN 0.148 nan 8.150 nan 0.000 0.489 385 K N 0.503 120.832 120.400 -0.119 0.000 2.504 385 K HA 0.113 4.434 4.320 0.001 0.000 0.278 385 K C -0.890 175.621 176.600 -0.147 0.000 1.025 385 K CA 0.988 57.185 56.287 -0.150 0.000 1.093 385 K CB -0.023 32.403 32.500 -0.123 0.000 0.873 385 K HN 0.631 nan 8.250 nan 0.000 0.483 386 T N 4.458 118.906 114.554 -0.178 0.000 3.031 386 T HA 0.234 4.585 4.350 0.001 0.000 0.305 386 T C -1.290 173.368 174.700 -0.071 0.000 0.985 386 T CA -0.604 61.446 62.100 -0.083 0.000 1.008 386 T CB 0.269 69.099 68.868 -0.063 0.000 1.005 386 T HN 0.495 nan 8.240 nan 0.000 0.444 387 W N 3.020 124.327 121.300 0.012 0.000 2.436 387 W HA 0.780 5.441 4.660 0.002 0.000 0.347 387 W C 0.165 176.727 176.519 0.071 0.000 1.136 387 W CA -0.857 56.531 57.345 0.071 0.000 1.286 387 W CB 1.261 30.808 29.460 0.145 0.000 1.253 387 W HN 0.396 nan 8.180 nan 0.000 0.617 388 M N 2.072 121.886 119.600 0.356 0.000 2.484 388 M HA 0.373 4.854 4.480 0.001 0.000 0.289 388 M C -2.061 174.372 176.300 0.223 0.000 1.206 388 M CA -0.334 55.095 55.300 0.214 0.000 0.892 388 M CB 2.181 34.858 32.600 0.128 0.000 1.712 388 M HN 0.483 nan 8.290 nan 0.000 0.462 389 D N 2.701 123.175 120.400 0.125 0.000 2.736 389 D HA 0.636 5.277 4.640 0.001 0.000 0.223 389 D C -1.684 174.642 176.300 0.043 0.000 1.231 389 D CA -0.437 53.632 54.000 0.115 0.000 0.818 389 D CB 2.209 43.062 40.800 0.089 0.000 1.587 389 D HN 0.674 nan 8.370 nan 0.000 0.463 390 I N -1.111 119.499 120.570 0.067 0.000 2.785 390 I HA 0.712 4.883 4.170 0.001 0.000 0.302 390 I C -1.005 175.174 176.117 0.105 0.000 1.069 390 I CA -0.655 60.672 61.300 0.047 0.000 1.045 390 I CB 2.232 40.260 38.000 0.047 0.000 1.236 390 I HN 0.098 nan 8.210 nan 0.000 0.429 391 E N 2.905 123.176 120.200 0.118 0.000 2.195 391 E HA 0.663 5.014 4.350 0.001 0.000 0.271 391 E C -0.137 176.584 176.600 0.202 0.000 0.923 391 E CA -0.134 56.392 56.400 0.210 0.000 0.790 391 E CB 1.886 31.748 29.700 0.269 0.000 1.155 391 E HN 1.116 nan 8.360 nan 0.000 0.402 392 G N 2.255 111.221 108.800 0.277 0.000 2.692 392 G HA2 -0.198 3.763 3.960 0.001 0.000 0.686 392 G HA3 -0.198 3.763 3.960 0.001 0.000 0.686 392 G C -0.577 174.429 174.900 0.176 0.000 1.243 392 G CA -0.863 44.384 45.100 0.244 0.000 0.782 392 G HN 0.451 nan 8.290 nan 0.000 0.625 393 R N 2.642 123.238 120.500 0.159 0.000 2.641 393 R HA 0.323 4.663 4.340 0.001 0.000 0.269 393 R C -1.109 175.255 176.300 0.106 0.000 1.074 393 R CA -0.977 55.195 56.100 0.120 0.000 1.133 393 R CB 0.703 31.068 30.300 0.107 0.000 1.029 393 R HN 0.391 nan 8.270 nan 0.000 0.488 394 P HA -0.244 nan 4.420 nan 0.000 0.217 394 P C 0.524 177.868 177.300 0.074 0.000 1.148 394 P CA 1.522 64.668 63.100 0.077 0.000 0.834 394 P CB 0.124 31.862 31.700 0.064 0.000 0.783 395 E N -0.820 119.425 120.200 0.074 0.000 2.481 395 E HA -0.056 4.294 4.350 0.001 0.000 0.195 395 E C 0.139 176.787 176.600 0.079 0.000 1.047 395 E CA 0.640 57.081 56.400 0.069 0.000 0.867 395 E CB -0.335 29.401 29.700 0.061 0.000 0.858 395 E HN 0.153 nan 8.360 nan 0.000 0.513 396 D N 1.159 121.618 120.400 0.098 0.000 3.220 396 D HA 0.185 4.826 4.640 0.001 0.000 0.309 396 D C -2.699 173.684 176.300 0.139 0.000 1.276 396 D CA -1.819 52.250 54.000 0.115 0.000 0.736 396 D CB 0.862 41.739 40.800 0.129 0.000 1.304 396 D HN -0.065 nan 8.370 nan 0.000 0.582 397 P HA 0.023 nan 4.420 nan 0.000 0.269 397 P C 0.949 178.329 177.300 0.134 0.000 1.209 397 P CA -0.181 62.991 63.100 0.120 0.000 0.776 397 P CB 1.718 33.471 31.700 0.088 0.000 0.876 398 V N -1.126 118.871 119.914 0.139 0.000 3.612 398 V HA 0.348 4.469 4.120 0.001 0.000 0.268 398 V C 0.564 176.734 176.094 0.127 0.000 1.365 398 V CA 0.506 62.902 62.300 0.159 0.000 1.044 398 V CB -0.292 31.669 31.823 0.230 0.000 0.820 398 V HN 0.572 nan 8.190 nan 0.000 0.444 399 E N 0.418 120.634 120.200 0.026 0.000 2.321 399 E HA 0.557 4.908 4.350 0.001 0.000 0.281 399 E C -2.084 174.366 176.600 -0.249 0.000 0.910 399 E CA -0.687 55.631 56.400 -0.137 0.000 0.770 399 E CB 2.564 32.283 29.700 0.031 0.000 1.225 399 E HN 0.177 nan 8.360 nan 0.000 0.417 400 I N 2.378 122.607 120.570 -0.569 0.000 2.582 400 I HA 0.681 4.852 4.170 0.001 0.000 0.292 400 I C -0.570 175.281 176.117 -0.443 0.000 1.066 400 I CA -0.668 60.301 61.300 -0.550 0.000 1.053 400 I CB 1.355 38.776 38.000 -0.965 0.000 1.241 400 I HN 0.647 nan 8.210 nan 0.000 0.421 401 A N 6.489 129.194 122.820 -0.192 0.000 2.449 401 A HA 0.928 5.249 4.320 0.001 0.000 0.302 401 A C -1.569 176.026 177.584 0.019 0.000 1.048 401 A CA -0.415 51.575 52.037 -0.078 0.000 0.708 401 A CB 1.834 20.755 19.000 -0.132 0.000 1.274 401 A HN 0.519 nan 8.150 nan 0.000 0.410 402 L N 1.405 122.691 121.223 0.106 0.000 2.401 402 L HA 0.650 4.991 4.340 0.001 0.000 0.266 402 L C -1.149 175.874 176.870 0.256 0.000 0.991 402 L CA -0.378 54.562 54.840 0.166 0.000 0.818 402 L CB 2.164 44.303 42.059 0.134 0.000 1.321 402 L HN 0.711 nan 8.230 nan 0.000 0.413 403 Y N 1.959 122.324 120.300 0.109 0.000 2.330 403 Y HA 0.429 4.980 4.550 0.001 0.000 0.324 403 Y C -1.311 174.669 175.900 0.134 0.000 1.093 403 Y CA -0.776 57.380 58.100 0.095 0.000 1.103 403 Y CB 1.633 40.087 38.460 -0.011 0.000 1.183 403 Y HN 0.587 nan 8.280 nan 0.000 0.433 404 Q N 8.804 128.450 119.800 -0.256 0.000 2.430 404 Q HA 0.261 4.602 4.340 0.001 0.000 0.245 404 Q C -2.092 173.544 176.000 -0.607 0.000 1.021 404 Q CA -1.988 53.614 55.803 -0.335 0.000 0.867 404 Q CB 1.864 30.504 28.738 -0.162 0.000 1.210 404 Q HN 0.524 nan 8.270 nan 0.000 0.487 405 P HA -0.149 nan 4.420 nan 0.000 0.221 405 P C 1.351 178.525 177.300 -0.210 0.000 1.150 405 P CA 0.957 63.657 63.100 -0.666 0.000 0.800 405 P CB 0.501 31.989 31.700 -0.353 0.000 0.787 406 S N 0.715 116.324 115.700 -0.151 0.000 2.368 406 S HA -0.105 4.365 4.470 0.001 0.000 0.224 406 S C 2.155 176.735 174.600 -0.033 0.000 1.029 406 S CA 2.066 60.228 58.200 -0.063 0.000 0.988 406 S CB -0.800 62.369 63.200 -0.052 0.000 0.838 406 S HN 0.327 nan 8.310 nan 0.000 0.462 407 S N -0.731 114.941 115.700 -0.047 0.000 2.458 407 S HA 0.373 4.843 4.470 0.001 0.000 0.223 407 S C 1.643 176.262 174.600 0.032 0.000 1.019 407 S CA 0.952 59.152 58.200 -0.000 0.000 0.937 407 S CB -0.245 62.953 63.200 -0.004 0.000 0.788 407 S HN 1.383 nan 8.310 nan 0.000 0.511 408 G N 0.978 109.787 108.800 0.016 0.000 2.157 408 G HA2 -0.271 3.689 3.960 0.001 0.000 0.248 408 G HA3 -0.271 3.689 3.960 0.001 0.000 0.248 408 G C 0.303 175.321 174.900 0.197 0.000 0.979 408 G CA -0.011 45.169 45.100 0.132 0.000 0.650 408 G HN 1.460 nan 8.290 nan 0.000 0.529 409 C N 0.517 119.881 119.300 0.108 0.000 2.539 409 C HA 0.937 5.398 4.460 0.001 0.000 0.392 409 C C 0.222 175.348 174.990 0.227 0.000 1.269 409 C CA -0.870 58.215 59.018 0.112 0.000 2.250 409 C CB -0.257 27.493 27.740 0.018 0.000 2.584 409 C HN 1.395 nan 8.230 nan 0.000 0.589 410 Y N 0.909 121.267 120.300 0.096 0.000 2.562 410 Y HA 0.822 5.372 4.550 -0.000 0.000 0.345 410 Y C -1.043 174.914 175.900 0.094 0.000 1.045 410 Y CA -1.825 56.338 58.100 0.106 0.000 1.028 410 Y CB 0.795 39.298 38.460 0.073 0.000 1.297 410 Y HN 0.702 nan 8.280 nan 0.000 0.463 411 I N 3.929 124.619 120.570 0.201 0.000 2.359 411 I HA 0.363 4.534 4.170 0.001 0.000 0.294 411 I C -0.711 175.608 176.117 0.337 0.000 0.987 411 I CA -0.519 60.898 61.300 0.194 0.000 1.225 411 I CB 1.343 39.462 38.000 0.199 0.000 1.366 411 I HN 0.816 nan 8.210 nan 0.000 0.466 412 H N 7.538 126.718 119.070 0.183 0.000 3.042 412 H HA 0.483 5.039 4.556 0.000 0.000 0.345 412 H C -1.836 173.439 175.328 -0.089 0.000 1.052 412 H CA -0.559 55.475 56.048 -0.022 0.000 1.311 412 H CB 1.763 31.597 29.762 0.121 0.000 1.810 412 H HN 0.545 nan 8.280 nan 0.000 0.505 413 F N 2.716 122.270 119.950 -0.660 0.000 2.779 413 F HA 0.679 5.207 4.527 0.000 0.000 0.316 413 F C -2.292 172.932 175.800 -0.959 0.000 1.164 413 F CA -1.113 56.424 58.000 -0.772 0.000 0.924 413 F CB 1.112 39.924 39.000 -0.315 0.000 1.348 413 F HN 0.195 nan 8.300 nan 0.000 0.467 414 F N 0.339 120.291 119.950 0.004 0.000 2.631 414 F HA 0.823 5.350 4.527 0.000 0.000 0.328 414 F C -0.305 175.550 175.800 0.092 0.000 1.067 414 F CA -1.011 56.964 58.000 -0.042 0.000 0.969 414 F CB 2.193 41.114 39.000 -0.130 0.000 1.332 414 F HN 0.698 nan 8.300 nan 0.000 0.490 415 R N 0.699 121.357 120.500 0.262 0.000 2.604 415 R HA 0.282 4.622 4.340 0.001 0.000 0.270 415 R C -1.515 174.855 176.300 0.117 0.000 1.052 415 R CA -0.674 55.529 56.100 0.172 0.000 0.902 415 R CB 1.933 32.332 30.300 0.165 0.000 1.233 415 R HN 0.806 nan 8.270 nan 0.000 0.455 416 E N 4.495 124.736 120.200 0.069 0.000 2.384 416 E HA 0.122 4.472 4.350 0.001 0.000 0.266 416 E C -2.044 174.552 176.600 -0.006 0.000 1.012 416 E CA -1.406 55.002 56.400 0.012 0.000 0.901 416 E CB 0.813 30.511 29.700 -0.003 0.000 0.967 416 E HN 0.325 nan 8.360 nan 0.000 0.435 417 P HA 0.008 nan 4.420 nan 0.000 0.282 417 P C 0.227 177.524 177.300 -0.006 0.000 1.249 417 P CA -0.219 62.875 63.100 -0.011 0.000 0.806 417 P CB 1.427 33.088 31.700 -0.065 0.000 0.984 418 T N -2.521 112.057 114.554 0.040 0.000 2.983 418 T HA 0.005 4.355 4.350 0.001 0.000 0.250 418 T C 0.595 175.324 174.700 0.047 0.000 1.037 418 T CA 0.547 62.666 62.100 0.032 0.000 1.142 418 T CB -0.523 68.367 68.868 0.036 0.000 0.876 418 T HN 0.293 nan 8.240 nan 0.000 0.455 419 D N 1.399 121.847 120.400 0.080 0.000 2.441 419 D HA 0.187 4.827 4.640 0.001 0.000 0.221 419 D C 0.841 177.225 176.300 0.140 0.000 1.156 419 D CA -0.641 53.418 54.000 0.098 0.000 0.896 419 D CB 1.038 41.902 40.800 0.105 0.000 1.028 419 D HN 0.125 nan 8.370 nan 0.000 0.509 420 L N 5.159 126.451 121.223 0.113 0.000 2.109 420 L HA 0.006 4.346 4.340 0.001 0.000 0.207 420 L C 2.117 179.105 176.870 0.196 0.000 1.086 420 L CA 1.660 56.590 54.840 0.151 0.000 0.760 420 L CB -0.496 41.616 42.059 0.089 0.000 0.910 420 L HN 0.369 nan 8.230 nan 0.000 0.437 421 K N -0.904 119.579 120.400 0.137 0.000 2.034 421 K HA -0.306 4.015 4.320 0.001 0.000 0.214 421 K C 2.266 178.949 176.600 0.139 0.000 1.051 421 K CA 2.042 58.402 56.287 0.122 0.000 0.931 421 K CB -0.206 32.347 32.500 0.089 0.000 0.715 421 K HN 0.306 nan 8.250 nan 0.000 0.446 422 Q N 0.210 120.099 119.800 0.149 0.000 2.050 422 Q HA -0.158 4.183 4.340 0.001 0.000 0.202 422 Q C 1.833 177.948 176.000 0.191 0.000 0.980 422 Q CA 1.724 57.617 55.803 0.149 0.000 0.840 422 Q CB -0.579 28.244 28.738 0.142 0.000 0.898 422 Q HN 0.432 nan 8.270 nan 0.000 0.424 423 F N 0.911 120.931 119.950 0.116 0.000 2.120 423 F HA -0.266 4.261 4.527 0.000 0.000 0.300 423 F C 1.704 177.582 175.800 0.129 0.000 1.095 423 F CA 1.621 59.718 58.000 0.162 0.000 1.249 423 F CB 0.024 39.113 39.000 0.148 0.000 0.995 423 F HN 0.018 nan 8.300 nan 0.000 0.480 424 K N 0.030 120.554 120.400 0.206 0.000 2.057 424 K HA -0.139 4.182 4.320 0.001 0.000 0.206 424 K C 2.079 178.640 176.600 -0.064 0.000 1.050 424 K CA 1.072 57.401 56.287 0.069 0.000 0.935 424 K CB -0.669 31.902 32.500 0.119 0.000 0.715 424 K HN 0.384 nan 8.250 nan 0.000 0.439 425 Q N 0.924 120.728 119.800 0.006 0.000 2.124 425 Q HA -0.143 4.197 4.340 0.001 0.000 0.202 425 Q C 1.495 177.478 176.000 -0.027 0.000 0.977 425 Q CA 1.336 57.169 55.803 0.050 0.000 0.850 425 Q CB -0.149 28.661 28.738 0.120 0.000 0.901 425 Q HN 0.320 nan 8.270 nan 0.000 0.429 426 D N 0.187 120.482 120.400 -0.175 0.000 2.162 426 D HA -0.035 4.606 4.640 0.001 0.000 0.203 426 D C 1.726 177.496 176.300 -0.884 0.000 0.967 426 D CA 1.170 54.927 54.000 -0.404 0.000 0.840 426 D CB -0.146 40.478 40.800 -0.294 0.000 0.972 426 D HN 0.198 nan 8.370 nan 0.000 0.482 427 A N 1.246 123.553 122.820 -0.855 0.000 1.972 427 A HA -0.175 4.145 4.320 0.001 0.000 0.219 427 A C 2.007 179.339 177.584 -0.420 0.000 1.169 427 A CA 1.265 52.925 52.037 -0.627 0.000 0.635 427 A CB -0.191 18.588 19.000 -0.369 0.000 0.810 427 A HN 0.008 nan 8.150 nan 0.000 0.446 428 K N -1.465 118.666 120.400 -0.449 0.000 2.167 428 K HA -0.027 4.293 4.320 0.001 0.000 0.203 428 K C 0.980 177.168 176.600 -0.687 0.000 1.052 428 K CA 1.200 57.128 56.287 -0.598 0.000 0.956 428 K CB -0.277 31.713 32.500 -0.850 0.000 0.735 428 K HN 0.696 nan 8.250 nan 0.000 0.451 429 Y N -0.980 119.190 120.300 -0.218 0.000 2.445 429 Y HA 0.222 4.773 4.550 0.001 0.000 0.247 429 Y C 2.075 177.815 175.900 -0.267 0.000 1.129 429 Y CA -0.139 57.845 58.100 -0.195 0.000 1.251 429 Y CB 0.888 39.268 38.460 -0.133 0.000 1.176 429 Y HN -0.096 nan 8.280 nan 0.000 0.522 430 S N -1.395 114.158 115.700 -0.245 0.000 3.730 430 S HA 0.017 4.487 4.470 0.001 0.000 0.218 430 S C 1.274 175.746 174.600 -0.213 0.000 1.053 430 S CA 0.499 58.521 58.200 -0.296 0.000 0.878 430 S CB -0.265 62.883 63.200 -0.087 0.000 1.064 430 S HN 0.543 nan 8.310 nan 0.000 0.583 431 H N -0.352 118.704 119.070 -0.023 0.000 2.648 431 H HA 0.512 5.069 4.556 0.001 0.000 0.265 431 H C 1.260 176.706 175.328 0.195 0.000 0.961 431 H CA 0.621 56.761 56.048 0.153 0.000 1.185 431 H CB -0.766 29.110 29.762 0.190 0.000 1.449 431 H HN 0.486 nan 8.280 nan 0.000 0.523 432 G N 1.267 110.156 108.800 0.149 0.000 2.321 432 G HA2 -0.318 3.643 3.960 0.001 0.000 0.287 432 G HA3 -0.318 3.643 3.960 0.001 0.000 0.287 432 G C -0.014 174.970 174.900 0.139 0.000 1.018 432 G CA 0.684 45.838 45.100 0.091 0.000 0.855 432 G HN 0.526 nan 8.290 nan 0.000 0.507 433 I N 0.200 120.905 120.570 0.225 0.000 2.365 433 I HA 0.215 4.386 4.170 0.001 0.000 0.291 433 I C 0.063 176.293 176.117 0.187 0.000 1.004 433 I CA -0.746 60.611 61.300 0.095 0.000 1.311 433 I CB 1.241 39.230 38.000 -0.019 0.000 1.401 433 I HN -0.010 nan 8.210 nan 0.000 0.491 434 D N 5.541 126.016 120.400 0.126 0.000 2.316 434 D HA 0.050 4.691 4.640 0.001 0.000 0.245 434 D C 0.835 177.191 176.300 0.093 0.000 1.171 434 D CA -0.063 54.008 54.000 0.118 0.000 0.856 434 D CB 1.802 42.600 40.800 -0.004 0.000 1.090 434 D HN 0.313 nan 8.370 nan 0.000 0.476 435 V N 4.005 124.009 119.914 0.149 0.000 2.453 435 V HA -0.288 3.832 4.120 0.001 0.000 0.252 435 V C 2.250 178.061 176.094 -0.472 0.000 1.068 435 V CA 3.036 65.197 62.300 -0.231 0.000 1.070 435 V CB -0.593 30.997 31.823 -0.389 0.000 0.664 435 V HN 0.864 nan 8.190 nan 0.000 0.461 436 T N -3.569 110.634 114.554 -0.584 0.000 3.007 436 T HA -0.139 4.211 4.350 0.001 0.000 0.270 436 T C 1.419 175.738 174.700 -0.635 0.000 1.107 436 T CA 1.284 62.770 62.100 -1.024 0.000 1.118 436 T CB -0.429 68.073 68.868 -0.611 0.000 0.889 436 T HN 0.510 nan 8.240 nan 0.000 0.506 437 D N 1.040 121.246 120.400 -0.323 0.000 2.323 437 D HA 0.151 4.791 4.640 0.001 0.000 0.209 437 D C 1.781 178.011 176.300 -0.116 0.000 0.973 437 D CA 0.332 54.224 54.000 -0.181 0.000 0.874 437 D CB -0.036 40.685 40.800 -0.131 0.000 0.930 437 D HN 0.421 nan 8.370 nan 0.000 0.521 438 L N -0.034 121.122 121.223 -0.112 0.000 2.552 438 L HA -0.009 4.332 4.340 0.001 0.000 0.227 438 L C 1.646 178.666 176.870 0.251 0.000 1.146 438 L CA 0.038 54.893 54.840 0.024 0.000 0.858 438 L CB -0.161 41.909 42.059 0.018 0.000 0.969 438 L HN -0.077 nan 8.230 nan 0.000 0.451 439 F N 0.507 120.438 119.950 -0.031 0.000 2.293 439 F HA -0.055 4.473 4.527 0.001 0.000 0.300 439 F C 2.448 178.263 175.800 0.026 0.000 1.086 439 F CA 0.549 58.541 58.000 -0.012 0.000 1.375 439 F CB -0.999 37.990 39.000 -0.018 0.000 1.045 439 F HN 0.043 nan 8.300 nan 0.000 0.516 440 A N -0.411 122.558 122.820 0.249 0.000 2.218 440 A HA 0.056 4.377 4.320 0.001 0.000 0.209 440 A C 1.214 178.990 177.584 0.319 0.000 1.168 440 A CA 0.610 52.789 52.037 0.237 0.000 0.804 440 A CB -1.144 17.972 19.000 0.192 0.000 0.834 440 A HN 0.289 nan 8.150 nan 0.000 0.482 441 T N -2.017 112.671 114.554 0.223 0.000 2.882 441 T HA 0.412 4.763 4.350 0.001 0.000 0.287 441 T C -0.032 174.706 174.700 0.063 0.000 1.014 441 T CA -0.489 61.652 62.100 0.069 0.000 1.049 441 T CB 0.864 69.721 68.868 -0.017 0.000 1.001 441 T HN 0.206 nan 8.240 nan 0.000 0.525 442 Q N 2.339 122.145 119.800 0.011 0.000 2.293 442 Q HA 0.369 4.710 4.340 0.001 0.000 0.263 442 Q C -2.509 173.487 176.000 -0.007 0.000 1.002 442 Q CA -1.630 54.174 55.803 0.001 0.000 0.910 442 Q CB 0.324 29.043 28.738 -0.031 0.000 1.185 442 Q HN 0.473 nan 8.270 nan 0.000 0.401 443 P HA 0.315 nan 4.420 nan 0.000 0.274 443 P C 0.077 177.350 177.300 -0.046 0.000 1.237 443 P CA 0.314 63.406 63.100 -0.013 0.000 0.793 443 P CB 1.006 32.697 31.700 -0.016 0.000 0.977 444 G N 0.006 108.778 108.800 -0.046 0.000 2.176 444 G HA2 -0.257 3.704 3.960 0.001 0.000 0.232 444 G HA3 -0.257 3.704 3.960 0.001 0.000 0.232 444 G C 0.780 175.602 174.900 -0.130 0.000 0.986 444 G CA 0.183 45.243 45.100 -0.066 0.000 0.643 444 G HN 0.464 nan 8.290 nan 0.000 0.522 445 L N 0.677 121.762 121.223 -0.229 0.000 2.156 445 L HA 0.001 4.341 4.340 0.001 0.000 0.208 445 L C 3.047 179.601 176.870 -0.527 0.000 1.095 445 L CA 1.895 56.435 54.840 -0.501 0.000 0.770 445 L CB -0.702 40.806 42.059 -0.919 0.000 0.914 445 L HN 0.326 nan 8.230 nan 0.000 0.439 446 T N -0.456 113.983 114.554 -0.191 0.000 2.607 446 T HA -0.252 4.098 4.350 0.001 0.000 0.267 446 T C 2.110 176.826 174.700 0.026 0.000 1.049 446 T CA 2.060 64.223 62.100 0.104 0.000 1.162 446 T CB -0.375 68.613 68.868 0.200 0.000 0.863 446 T HN 0.569 nan 8.240 nan 0.000 0.424 447 S N 2.017 117.711 115.700 -0.010 0.000 2.355 447 S HA 0.061 4.531 4.470 0.001 0.000 0.222 447 S C 2.460 177.035 174.600 -0.041 0.000 1.031 447 S CA 0.981 59.175 58.200 -0.009 0.000 0.993 447 S CB -0.773 62.422 63.200 -0.007 0.000 0.859 447 S HN 0.521 nan 8.310 nan 0.000 0.453 448 A N 1.823 124.590 122.820 -0.088 0.000 1.865 448 A HA 0.002 4.322 4.320 0.001 0.000 0.217 448 A C 2.478 179.995 177.584 -0.110 0.000 1.191 448 A CA 1.979 53.952 52.037 -0.106 0.000 0.623 448 A CB -1.364 17.553 19.000 -0.139 0.000 0.826 448 A HN 0.476 nan 8.150 nan 0.000 0.444 449 V N 0.213 120.026 119.914 -0.168 0.000 2.295 449 V HA -0.281 3.839 4.120 0.001 0.000 0.246 449 V C 2.446 178.540 176.094 -0.001 0.000 1.049 449 V CA 2.124 64.365 62.300 -0.097 0.000 1.024 449 V CB -0.727 31.026 31.823 -0.118 0.000 0.648 449 V HN 0.574 nan 8.190 nan 0.000 0.447 450 I N 0.142 120.731 120.570 0.031 0.000 2.286 450 I HA -0.235 3.935 4.170 0.001 0.000 0.248 450 I C 2.204 178.332 176.117 0.019 0.000 1.115 450 I CA 1.511 62.840 61.300 0.048 0.000 1.392 450 I CB -0.509 37.531 38.000 0.066 0.000 1.065 450 I HN 0.315 nan 8.210 nan 0.000 0.418 451 D N 1.011 121.412 120.400 0.001 0.000 2.178 451 D HA -0.123 4.518 4.640 0.001 0.000 0.201 451 D C 2.038 178.334 176.300 -0.007 0.000 0.980 451 D CA 1.429 55.427 54.000 -0.004 0.000 0.842 451 D CB -0.002 40.791 40.800 -0.012 0.000 0.948 451 D HN 0.370 nan 8.370 nan 0.000 0.472 452 A N -0.106 122.705 122.820 -0.014 0.000 2.238 452 A HA 0.161 4.482 4.320 0.001 0.000 0.210 452 A C 0.996 178.576 177.584 -0.007 0.000 1.179 452 A CA -0.233 51.794 52.037 -0.016 0.000 0.827 452 A CB -0.136 18.845 19.000 -0.032 0.000 0.856 452 A HN 0.122 nan 8.150 nan 0.000 0.488 453 L N 1.495 122.719 121.223 0.003 0.000 2.559 453 L HA 0.086 4.427 4.340 0.001 0.000 0.282 453 L C -2.127 174.742 176.870 -0.002 0.000 1.232 453 L CA -1.196 53.647 54.840 0.005 0.000 0.885 453 L CB 0.079 42.147 42.059 0.016 0.000 1.131 453 L HN 0.135 nan 8.230 nan 0.000 0.498 454 P HA 0.140 nan 4.420 nan 0.000 0.272 454 P C -0.652 176.643 177.300 -0.008 0.000 1.223 454 P CA -0.488 62.607 63.100 -0.008 0.000 0.784 454 P CB 0.446 32.138 31.700 -0.014 0.000 0.923 455 R N 2.374 122.871 120.500 -0.004 0.000 2.643 455 R HA 0.064 4.404 4.340 0.001 0.000 0.270 455 R C 0.673 176.968 176.300 -0.009 0.000 1.061 455 R CA 0.057 56.154 56.100 -0.004 0.000 1.107 455 R CB -0.544 29.755 30.300 -0.001 0.000 0.999 455 R HN 0.588 nan 8.270 nan 0.000 0.460 456 N N 0.041 118.735 118.700 -0.010 0.000 2.696 456 N HA -0.242 4.499 4.740 0.001 0.000 0.249 456 N C 0.042 175.538 175.510 -0.024 0.000 1.090 456 N CA 0.844 53.884 53.050 -0.016 0.000 0.716 456 N CB -0.917 37.563 38.487 -0.013 0.000 1.020 456 N HN 0.619 nan 8.380 nan 0.000 0.548 457 M N 0.509 120.093 119.600 -0.026 0.000 2.248 457 M HA 0.090 4.570 4.480 0.001 0.000 0.337 457 M C -0.027 176.245 176.300 -0.047 0.000 1.121 457 M CA 0.177 55.454 55.300 -0.039 0.000 1.155 457 M CB 0.721 33.300 32.600 -0.035 0.000 1.514 457 M HN -0.089 nan 8.290 nan 0.000 0.452 458 V N 6.682 126.557 119.914 -0.065 0.000 2.334 458 V HA 0.389 4.509 4.120 0.001 0.000 0.281 458 V C -0.126 175.903 176.094 -0.107 0.000 1.016 458 V CA -0.476 61.776 62.300 -0.080 0.000 0.832 458 V CB 0.932 32.704 31.823 -0.085 0.000 0.999 458 V HN 0.694 nan 8.190 nan 0.000 0.439 459 I N 4.045 124.555 120.570 -0.100 0.000 2.359 459 I HA 0.404 4.574 4.170 0.001 0.000 0.294 459 I C 0.343 176.352 176.117 -0.180 0.000 0.987 459 I CA -0.027 61.205 61.300 -0.112 0.000 1.225 459 I CB 1.992 39.965 38.000 -0.045 0.000 1.366 459 I HN 0.506 nan 8.210 nan 0.000 0.466 460 T N 5.331 119.695 114.554 -0.316 0.000 2.824 460 T HA 0.567 4.917 4.350 0.001 0.000 0.280 460 T C -0.385 174.122 174.700 -0.322 0.000 0.995 460 T CA -0.482 61.303 62.100 -0.526 0.000 1.009 460 T CB 1.003 69.182 68.868 -1.148 0.000 0.955 460 T HN 0.783 nan 8.240 nan 0.000 0.452 461 C N 1.961 121.177 119.300 -0.140 0.000 3.323 461 C HA 0.819 5.280 4.460 0.001 0.000 0.324 461 C C -1.007 174.103 174.990 0.200 0.000 1.428 461 C CA -1.239 57.902 59.018 0.205 0.000 1.368 461 C CB 1.156 28.987 27.740 0.151 0.000 1.731 461 C HN 0.688 nan 8.230 nan 0.000 0.455 462 Q N 0.928 120.840 119.800 0.187 0.000 2.431 462 Q HA 0.532 4.873 4.340 0.001 0.000 0.249 462 Q C 0.158 176.133 176.000 -0.043 0.000 1.025 462 Q CA 1.307 57.060 55.803 -0.083 0.000 0.835 462 Q CB 0.299 28.650 28.738 -0.645 0.000 1.207 462 Q HN 2.580 nan 8.270 nan 0.000 0.490 463 G N 2.761 111.543 108.800 -0.031 0.000 3.445 463 G HA2 -0.195 3.766 3.960 0.001 0.000 0.634 463 G HA3 -0.195 3.766 3.960 0.001 0.000 0.634 463 G C 0.283 175.195 174.900 0.021 0.000 0.909 463 G CA 0.119 45.216 45.100 -0.006 0.000 0.740 463 G HN 1.087 nan 8.290 nan 0.000 0.441 464 S N 0.383 116.090 115.700 0.012 0.000 2.556 464 S HA 0.133 4.603 4.470 0.001 0.000 0.216 464 S C 1.278 175.890 174.600 0.020 0.000 0.970 464 S CA 1.000 59.210 58.200 0.015 0.000 0.912 464 S CB 0.453 63.651 63.200 -0.004 0.000 0.790 464 S HN 0.510 nan 8.310 nan 0.000 0.504 465 D N 3.185 123.597 120.400 0.021 0.000 2.103 465 D HA -0.105 4.536 4.640 0.001 0.000 0.199 465 D C 1.597 177.918 176.300 0.034 0.000 0.978 465 D CA 1.650 55.664 54.000 0.024 0.000 0.829 465 D CB -0.481 40.332 40.800 0.021 0.000 0.981 465 D HN 0.615 nan 8.370 nan 0.000 0.464 466 D N 1.570 121.997 120.400 0.044 0.000 2.160 466 D HA -0.221 4.420 4.640 0.001 0.000 0.189 466 D C 1.999 178.332 176.300 0.056 0.000 1.003 466 D CA 0.993 55.028 54.000 0.057 0.000 0.846 466 D CB -0.781 40.063 40.800 0.073 0.000 0.949 466 D HN 0.188 nan 8.370 nan 0.000 0.446 467 I N 0.449 121.053 120.570 0.056 0.000 2.252 467 I HA -0.115 4.056 4.170 0.001 0.000 0.245 467 I C 2.689 178.830 176.117 0.041 0.000 1.102 467 I CA 0.772 62.105 61.300 0.054 0.000 1.385 467 I CB -1.074 36.960 38.000 0.057 0.000 1.064 467 I HN 0.100 nan 8.210 nan 0.000 0.414 468 R N 1.261 121.780 120.500 0.032 0.000 2.080 468 R HA -0.182 4.159 4.340 0.001 0.000 0.236 468 R C 2.337 178.654 176.300 0.028 0.000 1.137 468 R CA 1.576 57.690 56.100 0.024 0.000 0.943 468 R CB -0.014 30.295 30.300 0.016 0.000 0.846 468 R HN 0.269 nan 8.270 nan 0.000 0.431 469 K N 0.253 120.672 120.400 0.032 0.000 2.032 469 K HA -0.198 4.122 4.320 0.001 0.000 0.209 469 K C 2.124 178.748 176.600 0.040 0.000 1.048 469 K CA 1.526 57.834 56.287 0.034 0.000 0.927 469 K CB -0.326 32.197 32.500 0.037 0.000 0.712 469 K HN 0.143 nan 8.250 nan 0.000 0.441 470 L N 1.463 122.714 121.223 0.047 0.000 2.046 470 L HA -0.162 4.178 4.340 0.001 0.000 0.208 470 L C 1.938 178.837 176.870 0.048 0.000 1.077 470 L CA 1.494 56.365 54.840 0.053 0.000 0.747 470 L CB -0.261 41.835 42.059 0.062 0.000 0.896 470 L HN 0.123 nan 8.230 nan 0.000 0.432 471 L N -0.749 120.499 121.223 0.043 0.000 2.005 471 L HA -0.169 4.171 4.340 0.001 0.000 0.207 471 L C 2.593 179.481 176.870 0.030 0.000 1.072 471 L CA 1.479 56.342 54.840 0.037 0.000 0.744 471 L CB -0.651 41.426 42.059 0.031 0.000 0.895 471 L HN 0.315 nan 8.230 nan 0.000 0.433 472 E N 0.025 120.240 120.200 0.026 0.000 2.097 472 E HA -0.262 4.088 4.350 0.001 0.000 0.196 472 E C 2.215 178.829 176.600 0.023 0.000 1.000 472 E CA 1.738 58.151 56.400 0.021 0.000 0.804 472 E CB -0.228 29.483 29.700 0.019 0.000 0.740 472 E HN 0.528 nan 8.360 nan 0.000 0.454 473 S N 0.671 116.389 115.700 0.028 0.000 2.465 473 S HA -0.167 4.304 4.470 0.001 0.000 0.241 473 S C 1.692 176.309 174.600 0.028 0.000 1.000 473 S CA 0.929 59.147 58.200 0.029 0.000 0.964 473 S CB 0.012 63.233 63.200 0.036 0.000 0.763 473 S HN 0.139 nan 8.310 nan 0.000 0.512 474 Q N 0.352 120.169 119.800 0.029 0.000 2.282 474 Q HA 0.301 4.642 4.340 0.001 0.000 0.206 474 Q C 1.220 177.232 176.000 0.020 0.000 0.878 474 Q CA 0.607 56.426 55.803 0.026 0.000 0.944 474 Q CB 0.369 29.127 28.738 0.034 0.000 1.100 474 Q HN 0.796 nan 8.270 nan 0.000 0.509 475 G N 2.250 111.061 108.800 0.018 0.000 2.204 475 G HA2 -0.203 3.757 3.960 0.001 0.000 0.244 475 G HA3 -0.203 3.757 3.960 0.001 0.000 0.244 475 G C -0.109 174.799 174.900 0.012 0.000 1.062 475 G CA -0.262 44.846 45.100 0.013 0.000 0.798 475 G HN 0.071 nan 8.290 nan 0.000 0.496 476 R N -0.031 120.477 120.500 0.014 0.000 2.983 476 R HA 0.291 4.631 4.340 0.001 0.000 0.300 476 R C 1.231 177.537 176.300 0.009 0.000 1.367 476 R CA -0.592 55.515 56.100 0.011 0.000 1.564 476 R CB 0.361 30.670 30.300 0.014 0.000 1.314 476 R HN 0.388 nan 8.270 nan 0.000 0.622 477 K N 0.775 121.179 120.400 0.007 0.000 2.365 477 K HA -0.112 4.209 4.320 0.001 0.000 0.199 477 K C 1.289 177.889 176.600 0.000 0.000 1.045 477 K CA 1.288 57.577 56.287 0.004 0.000 0.962 477 K CB 0.326 32.828 32.500 0.004 0.000 0.759 477 K HN 0.391 nan 8.250 nan 0.000 0.469 478 D N 0.886 121.286 120.400 -0.000 0.000 2.219 478 D HA -0.149 4.491 4.640 0.001 0.000 0.205 478 D C 0.680 176.975 176.300 -0.008 0.000 0.970 478 D CA 0.551 54.548 54.000 -0.004 0.000 0.851 478 D CB -0.123 40.675 40.800 -0.003 0.000 0.943 478 D HN 0.133 nan 8.370 nan 0.000 0.488 479 I N 1.604 122.170 120.570 -0.006 0.000 2.517 479 I HA -0.006 4.165 4.170 0.001 0.000 0.285 479 I C 0.888 176.994 176.117 -0.017 0.000 1.106 479 I CA -0.273 61.020 61.300 -0.012 0.000 1.402 479 I CB 0.694 38.690 38.000 -0.007 0.000 1.399 479 I HN -0.109 nan 8.210 nan 0.000 0.535 480 K N 7.537 127.921 120.400 -0.027 0.000 2.185 480 K HA 0.523 4.844 4.320 0.001 0.000 0.271 480 K C -1.167 175.407 176.600 -0.044 0.000 1.013 480 K CA -0.421 55.846 56.287 -0.033 0.000 0.943 480 K CB 0.809 33.286 32.500 -0.038 0.000 0.998 480 K HN 0.556 nan 8.250 nan 0.000 0.468 481 L N 5.069 126.265 121.223 -0.045 0.000 2.346 481 L HA 0.501 4.842 4.340 0.001 0.000 0.274 481 L C -0.424 176.401 176.870 -0.074 0.000 1.007 481 L CA -1.066 53.740 54.840 -0.057 0.000 0.818 481 L CB 1.798 43.836 42.059 -0.035 0.000 1.284 481 L HN 0.600 nan 8.230 nan 0.000 0.424 482 I N 1.684 122.186 120.570 -0.113 0.000 2.354 482 I HA 0.236 4.407 4.170 0.001 0.000 0.292 482 I C -0.496 175.549 176.117 -0.119 0.000 0.989 482 I CA -0.391 60.834 61.300 -0.125 0.000 1.188 482 I CB 1.797 39.692 38.000 -0.176 0.000 1.342 482 I HN 0.497 nan 8.210 nan 0.000 0.457 483 D N 6.688 127.041 120.400 -0.078 0.000 2.313 483 D HA 0.216 4.856 4.640 0.001 0.000 0.239 483 D C 0.887 177.155 176.300 -0.055 0.000 1.142 483 D CA -0.277 53.690 54.000 -0.055 0.000 0.847 483 D CB 1.347 42.127 40.800 -0.034 0.000 1.082 483 D HN 0.321 nan 8.370 nan 0.000 0.480 484 I N 2.952 123.496 120.570 -0.042 0.000 2.546 484 I HA -0.072 4.099 4.170 0.001 0.000 0.255 484 I C 1.353 177.468 176.117 -0.002 0.000 1.163 484 I CA 0.596 61.893 61.300 -0.004 0.000 1.457 484 I CB -1.336 36.730 38.000 0.110 0.000 1.092 484 I HN 0.655 nan 8.210 nan 0.000 0.434 485 A N 1.443 124.246 122.820 -0.028 0.000 2.519 485 A HA -0.206 4.114 4.320 0.001 0.000 0.297 485 A C 0.279 177.837 177.584 -0.043 0.000 1.472 485 A CA 0.318 52.330 52.037 -0.041 0.000 0.739 485 A CB -2.383 16.601 19.000 -0.027 0.000 1.096 485 A HN 0.381 nan 8.150 nan 0.000 0.414 486 L N 1.017 122.192 121.223 -0.079 0.000 2.395 486 L HA 0.492 4.833 4.340 0.001 0.000 0.269 486 L C 1.374 178.201 176.870 -0.071 0.000 1.133 486 L CA 0.187 54.987 54.840 -0.067 0.000 0.812 486 L CB 1.373 43.376 42.059 -0.094 0.000 1.125 486 L HN 0.832 nan 8.230 nan 0.000 0.452 487 S N 1.199 116.877 115.700 -0.036 0.000 2.579 487 S HA 0.037 4.507 4.470 0.001 0.000 0.275 487 S C 0.976 175.557 174.600 -0.031 0.000 1.345 487 S CA -0.360 57.824 58.200 -0.027 0.000 1.031 487 S CB 1.169 64.363 63.200 -0.011 0.000 0.892 487 S HN 0.717 nan 8.310 nan 0.000 0.529 488 K N 2.358 122.745 120.400 -0.022 0.000 2.044 488 K HA -0.147 4.174 4.320 0.001 0.000 0.210 488 K C 1.858 178.465 176.600 0.011 0.000 1.049 488 K CA 2.653 58.935 56.287 -0.008 0.000 0.927 488 K CB -1.398 31.107 32.500 0.008 0.000 0.713 488 K HN 0.730 nan 8.250 nan 0.000 0.443 489 T N 1.085 115.644 114.554 0.009 0.000 2.684 489 T HA -0.128 4.223 4.350 0.001 0.000 0.267 489 T C 1.209 175.917 174.700 0.014 0.000 1.036 489 T CA 1.787 63.894 62.100 0.011 0.000 1.148 489 T CB -0.518 68.352 68.868 0.003 0.000 0.863 489 T HN 0.366 nan 8.240 nan 0.000 0.436 490 D N 1.162 121.569 120.400 0.013 0.000 2.117 490 D HA -0.064 4.577 4.640 0.001 0.000 0.198 490 D C 2.478 178.812 176.300 0.058 0.000 0.982 490 D CA 1.403 55.420 54.000 0.029 0.000 0.828 490 D CB -0.651 40.166 40.800 0.028 0.000 0.967 490 D HN 0.493 nan 8.370 nan 0.000 0.464 491 S N 0.133 115.853 115.700 0.033 0.000 2.420 491 S HA -0.166 4.305 4.470 0.001 0.000 0.237 491 S C 1.741 176.468 174.600 0.213 0.000 1.023 491 S CA 0.895 59.139 58.200 0.074 0.000 0.991 491 S CB -0.152 62.992 63.200 -0.094 0.000 0.792 491 S HN 0.165 nan 8.310 nan 0.000 0.488 492 R N 0.192 120.767 120.500 0.125 0.000 2.472 492 R HA 0.338 4.679 4.340 0.001 0.000 0.279 492 R C 1.870 178.200 176.300 0.050 0.000 0.953 492 R CA 0.022 56.183 56.100 0.102 0.000 1.088 492 R CB 0.063 30.415 30.300 0.085 0.000 1.197 492 R HN 0.487 nan 8.270 nan 0.000 0.536 493 K N 0.364 120.776 120.400 0.020 0.000 2.077 493 K HA -0.208 4.112 4.320 0.001 0.000 0.213 493 K C 0.436 176.898 176.600 -0.230 0.000 1.051 493 K CA 1.791 57.995 56.287 -0.138 0.000 0.929 493 K CB -0.053 32.320 32.500 -0.212 0.000 0.715 493 K HN 0.208 nan 8.250 nan 0.000 0.451 494 Y N 0.650 120.949 120.300 -0.001 0.000 2.532 494 Y HA 0.126 4.676 4.550 0.000 0.000 0.283 494 Y C 1.732 177.615 175.900 -0.028 0.000 1.181 494 Y CA -0.075 58.014 58.100 -0.018 0.000 1.256 494 Y CB 0.205 38.645 38.460 -0.034 0.000 1.112 494 Y HN 0.289 nan 8.280 nan 0.000 0.521 495 E N 0.794 121.045 120.200 0.086 0.000 2.038 495 E HA -0.247 4.104 4.350 0.001 0.000 0.195 495 E C 1.588 178.280 176.600 0.154 0.000 1.000 495 E CA 1.583 58.037 56.400 0.090 0.000 0.803 495 E CB 0.069 29.837 29.700 0.113 0.000 0.750 495 E HN 0.394 nan 8.360 nan 0.000 0.448 496 N N 0.095 118.867 118.700 0.119 0.000 2.188 496 N HA -0.115 4.625 4.740 0.001 0.000 0.184 496 N C 1.549 177.127 175.510 0.113 0.000 1.018 496 N CA 1.234 54.359 53.050 0.125 0.000 0.858 496 N CB -0.291 38.230 38.487 0.058 0.000 0.989 496 N HN 0.261 nan 8.380 nan 0.000 0.426 497 A N 0.401 123.275 122.820 0.089 0.000 1.968 497 A HA -0.010 4.311 4.320 0.001 0.000 0.217 497 A C 2.480 180.087 177.584 0.039 0.000 1.169 497 A CA 0.824 52.906 52.037 0.075 0.000 0.638 497 A CB -0.496 18.584 19.000 0.133 0.000 0.812 497 A HN 0.082 nan 8.150 nan 0.000 0.446 498 V N -1.957 117.974 119.914 0.029 0.000 2.270 498 V HA -0.286 3.834 4.120 0.001 0.000 0.245 498 V C 2.247 178.301 176.094 -0.065 0.000 1.043 498 V CA 1.874 64.147 62.300 -0.046 0.000 1.014 498 V CB -1.043 30.648 31.823 -0.219 0.000 0.645 498 V HN 0.803 nan 8.190 nan 0.000 0.447 499 W N 0.313 121.593 121.300 -0.033 0.000 2.338 499 W HA -0.179 4.480 4.660 -0.001 0.000 0.304 499 W C 2.364 178.848 176.519 -0.059 0.000 1.212 499 W CA 1.378 58.692 57.345 -0.051 0.000 1.264 499 W CB -0.420 29.002 29.460 -0.063 0.000 1.142 499 W HN 0.273 nan 8.180 nan 0.000 0.512 500 D N -0.504 119.990 120.400 0.157 0.000 2.106 500 D HA -0.279 4.362 4.640 0.001 0.000 0.191 500 D C 1.915 178.184 176.300 -0.052 0.000 0.997 500 D CA 1.791 55.818 54.000 0.044 0.000 0.834 500 D CB -0.739 40.069 40.800 0.015 0.000 0.956 500 D HN 0.268 nan 8.370 nan 0.000 0.448 501 Q N -1.476 118.219 119.800 -0.176 0.000 2.187 501 Q HA -0.107 4.234 4.340 0.001 0.000 0.199 501 Q C 0.657 176.364 176.000 -0.488 0.000 0.957 501 Q CA 0.965 56.495 55.803 -0.455 0.000 0.857 501 Q CB 0.190 28.433 28.738 -0.825 0.000 0.929 501 Q HN 0.356 nan 8.270 nan 0.000 0.453 502 Y N -1.323 118.926 120.300 -0.086 0.000 2.626 502 Y HA 0.193 4.745 4.550 0.002 0.000 0.248 502 Y C 1.265 177.102 175.900 -0.104 0.000 1.147 502 Y CA -0.326 57.681 58.100 -0.154 0.000 1.219 502 Y CB 0.545 38.808 38.460 -0.328 0.000 1.279 502 Y HN -0.019 nan 8.280 nan 0.000 0.541 503 K N 1.439 121.938 120.400 0.164 0.000 2.113 503 K HA -0.243 4.078 4.320 0.001 0.000 0.208 503 K C 1.473 178.124 176.600 0.086 0.000 1.047 503 K CA 2.290 58.746 56.287 0.281 0.000 0.928 503 K CB -0.353 32.296 32.500 0.249 0.000 0.716 503 K HN 0.247 nan 8.250 nan 0.000 0.446 504 D N -0.390 120.054 120.400 0.073 0.000 2.265 504 D HA -0.108 4.532 4.640 0.001 0.000 0.208 504 D C 1.417 177.814 176.300 0.161 0.000 0.977 504 D CA 0.889 54.955 54.000 0.110 0.000 0.871 504 D CB 0.044 40.952 40.800 0.181 0.000 0.925 504 D HN 0.354 nan 8.370 nan 0.000 0.485 505 L N -1.003 120.287 121.223 0.113 0.000 2.478 505 L HA 0.110 4.450 4.340 0.001 0.000 0.223 505 L C 0.447 177.445 176.870 0.214 0.000 1.140 505 L CA -0.130 54.789 54.840 0.132 0.000 0.842 505 L CB 0.129 42.139 42.059 -0.081 0.000 0.953 505 L HN 0.176 nan 8.230 nan 0.000 0.452 506 C N -0.467 118.942 119.300 0.183 0.000 2.599 506 C HA 0.332 4.792 4.460 0.001 0.000 0.354 506 C C 0.846 175.981 174.990 0.243 0.000 1.092 506 C CA -0.571 58.684 59.018 0.395 0.000 1.280 506 C CB 0.672 28.691 27.740 0.465 0.000 1.829 506 C HN 0.321 nan 8.230 nan 0.000 0.454 507 H N 4.060 123.349 119.070 0.365 0.000 2.542 507 H HA 0.068 4.624 4.556 -0.000 0.000 0.283 507 H C 1.251 176.677 175.328 0.164 0.000 1.059 507 H CA 0.067 56.254 56.048 0.230 0.000 1.162 507 H CB 0.611 30.452 29.762 0.132 0.000 1.539 507 H HN 0.618 nan 8.280 nan 0.000 0.543 508 M N 0.351 120.110 119.600 0.264 0.000 2.506 508 M HA -0.010 4.470 4.480 0.001 0.000 0.260 508 M C 0.273 176.517 176.300 -0.094 0.000 1.104 508 M CA 0.849 56.134 55.300 -0.025 0.000 1.112 508 M CB 0.098 32.553 32.600 -0.240 0.000 1.401 508 M HN 0.109 nan 8.290 nan 0.000 0.473 509 H N 0.119 119.270 119.070 0.136 0.000 2.741 509 H HA 0.317 4.873 4.556 0.000 0.000 0.282 509 H C 0.744 176.076 175.328 0.006 0.000 1.122 509 H CA 0.558 56.658 56.048 0.087 0.000 1.293 509 H CB 0.322 30.149 29.762 0.109 0.000 1.415 509 H HN 0.304 nan 8.280 nan 0.000 0.472 510 T N -0.614 113.986 114.554 0.078 0.000 2.955 510 T HA 0.137 4.488 4.350 0.001 0.000 0.251 510 T C 1.324 176.022 174.700 -0.003 0.000 1.002 510 T CA -0.052 62.062 62.100 0.023 0.000 0.970 510 T CB 0.414 69.288 68.868 0.010 0.000 1.091 510 T HN 0.453 nan 8.240 nan 0.000 0.495 511 G N 1.852 110.654 108.800 0.004 0.000 2.442 511 G HA2 0.471 4.431 3.960 0.001 0.000 0.249 511 G HA3 0.471 4.431 3.960 0.001 0.000 0.249 511 G C -0.187 174.677 174.900 -0.060 0.000 1.263 511 G CA -0.407 44.673 45.100 -0.032 0.000 0.846 511 G HN 0.343 nan 8.290 nan 0.000 0.555 512 V N 1.903 121.771 119.914 -0.077 0.000 2.540 512 V HA 0.110 4.230 4.120 0.001 0.000 0.297 512 V C 0.439 176.457 176.094 -0.126 0.000 1.024 512 V CA 0.053 62.297 62.300 -0.094 0.000 1.105 512 V CB 0.960 32.731 31.823 -0.085 0.000 0.938 512 V HN 0.431 nan 8.190 nan 0.000 0.482 513 V N 6.247 126.085 119.914 -0.127 0.000 2.555 513 V HA 0.679 4.800 4.120 0.001 0.000 0.302 513 V C -0.098 175.925 176.094 -0.118 0.000 1.038 513 V CA -0.440 61.766 62.300 -0.157 0.000 0.887 513 V CB 1.936 33.658 31.823 -0.169 0.000 0.991 513 V HN 0.785 nan 8.190 nan 0.000 0.434 514 V N 1.750 121.602 119.914 -0.104 0.000 3.074 514 V HA 0.866 4.986 4.120 0.001 0.000 0.314 514 V C -0.767 175.383 176.094 0.093 0.000 1.117 514 V CA -0.697 61.594 62.300 -0.015 0.000 1.014 514 V CB 2.157 33.974 31.823 -0.010 0.000 1.057 514 V HN 1.027 nan 8.190 nan 0.000 0.438 515 E N 1.409 121.658 120.200 0.082 0.000 2.234 515 E HA 0.493 4.844 4.350 0.001 0.000 0.266 515 E C -0.789 175.851 176.600 0.066 0.000 0.877 515 E CA -0.919 55.535 56.400 0.091 0.000 0.758 515 E CB 2.305 32.036 29.700 0.053 0.000 1.170 515 E HN 0.736 nan 8.360 nan 0.000 0.415 523 E N 1.370 121.579 120.200 0.014 0.000 2.222 523 E HA 0.169 4.520 4.350 0.001 0.000 0.267 523 E C -1.068 175.528 176.600 -0.005 0.000 0.884 523 E CA -0.938 55.464 56.400 0.002 0.000 0.764 523 E CB 2.155 31.858 29.700 0.005 0.000 1.169 523 E HN 0.448 nan 8.360 nan 0.000 0.413 524 E N 2.989 123.177 120.200 -0.021 0.000 2.384 524 E HA 0.183 4.534 4.350 0.001 0.000 0.266 524 E C 0.043 176.622 176.600 -0.035 0.000 1.012 524 E CA 0.282 56.660 56.400 -0.037 0.000 0.901 524 E CB 0.651 30.323 29.700 -0.047 0.000 0.967 524 E HN 0.372 nan 8.360 nan 0.000 0.435 525 I N -1.750 118.791 120.570 -0.047 0.000 3.174 525 I HA 0.427 4.598 4.170 0.001 0.000 0.313 525 I C -0.458 175.619 176.117 -0.067 0.000 1.155 525 I CA -1.052 60.227 61.300 -0.035 0.000 0.977 525 I CB 2.266 40.262 38.000 -0.007 0.000 1.248 525 I HN 0.129 nan 8.210 nan 0.000 0.453 526 T N 3.765 118.292 114.554 -0.045 0.000 2.814 526 T HA 0.331 4.681 4.350 0.001 0.000 0.297 526 T C -2.375 172.296 174.700 -0.049 0.000 0.956 526 T CA -0.567 61.472 62.100 -0.103 0.000 1.123 526 T CB 0.341 69.150 68.868 -0.098 0.000 0.902 526 T HN 0.440 nan 8.240 nan 0.000 0.528 527 P HA 0.080 nan 4.420 nan 0.000 0.268 527 P C -0.346 177.021 177.300 0.113 0.000 1.208 527 P CA -0.124 62.934 63.100 -0.071 0.000 0.777 527 P CB 0.278 31.951 31.700 -0.044 0.000 0.875 528 H N -0.311 118.796 119.070 0.063 0.000 2.562 528 H HA 0.386 4.943 4.556 0.001 0.000 0.314 528 H C -0.290 175.062 175.328 0.041 0.000 1.079 528 H CA -0.820 55.273 56.048 0.076 0.000 1.349 528 H CB 0.690 30.520 29.762 0.113 0.000 1.432 528 H HN 0.387 nan 8.280 nan 0.000 0.479 529 C N 3.358 122.693 119.300 0.057 0.000 2.408 529 C HA 0.536 4.996 4.460 0.001 0.000 0.321 529 C C 1.729 176.681 174.990 -0.064 0.000 1.245 529 C CA -0.232 58.785 59.018 -0.002 0.000 1.523 529 C CB -0.528 27.113 27.740 -0.165 0.000 2.178 529 C HN 1.008 nan 8.230 nan 0.000 0.488 530 A N 4.052 126.887 122.820 0.026 0.000 1.917 530 A HA -0.142 4.179 4.320 0.001 0.000 0.219 530 A C 1.833 179.240 177.584 -0.294 0.000 1.182 530 A CA 2.208 54.186 52.037 -0.097 0.000 0.633 530 A CB -0.568 18.403 19.000 -0.048 0.000 0.819 530 A HN 1.067 nan 8.150 nan 0.000 0.448 531 L N -1.076 119.886 121.223 -0.434 0.000 2.023 531 L HA -0.067 4.274 4.340 0.001 0.000 0.205 531 L C 2.323 178.737 176.870 -0.761 0.000 1.073 531 L CA 1.946 56.390 54.840 -0.661 0.000 0.745 531 L CB -0.541 40.906 42.059 -1.019 0.000 0.900 531 L HN 0.292 nan 8.230 nan 0.000 0.435 532 M N -0.614 118.506 119.600 -0.801 0.000 2.213 532 M HA -0.174 4.306 4.480 0.001 0.000 0.263 532 M C 1.822 177.613 176.300 -0.848 0.000 1.062 532 M CA 1.250 55.984 55.300 -0.943 0.000 1.105 532 M CB -1.450 30.347 32.600 -1.339 0.000 1.385 532 M HN 0.264 nan 8.290 nan 0.000 0.417 533 D N 0.011 119.933 120.400 -0.798 0.000 2.117 533 D HA -0.088 4.553 4.640 0.001 0.000 0.198 533 D C 2.198 177.698 176.300 -1.334 0.000 0.982 533 D CA 0.994 54.290 54.000 -1.174 0.000 0.828 533 D CB -0.327 39.899 40.800 -0.956 0.000 0.967 533 D HN 0.323 nan 8.370 nan 0.000 0.464 534 C N 0.442 119.265 119.300 -0.794 0.000 2.398 534 C HA -0.135 4.325 4.460 0.001 0.000 0.276 534 C C 2.811 177.324 174.990 -0.795 0.000 1.222 534 C CA 0.280 58.938 59.018 -0.599 0.000 1.746 534 C CB -1.033 26.542 27.740 -0.275 0.000 2.039 534 C HN 0.334 nan 8.230 nan 0.000 0.470 535 I N 1.495 121.503 120.570 -0.937 0.000 2.179 535 I HA -0.280 3.890 4.170 0.001 0.000 0.242 535 I C 2.641 178.407 176.117 -0.585 0.000 1.088 535 I CA 2.138 62.889 61.300 -0.915 0.000 1.357 535 I CB -0.505 36.884 38.000 -1.018 0.000 1.051 535 I HN 0.466 nan 8.210 nan 0.000 0.409 536 M N -0.113 119.128 119.600 -0.598 0.000 2.200 536 M HA -0.136 4.345 4.480 0.001 0.000 0.265 536 M C 1.950 178.111 176.300 -0.230 0.000 1.066 536 M CA 1.865 56.947 55.300 -0.364 0.000 1.127 536 M CB -0.467 31.930 32.600 -0.339 0.000 1.379 536 M HN -0.037 nan 8.290 nan 0.000 0.420 537 F N 1.699 121.362 119.950 -0.479 0.000 2.113 537 F HA -0.095 4.433 4.527 0.002 0.000 0.297 537 F C 2.213 177.602 175.800 -0.685 0.000 1.103 537 F CA 1.553 59.211 58.000 -0.570 0.000 1.248 537 F CB -1.554 36.974 39.000 -0.787 0.000 0.999 537 F HN 0.327 nan 8.300 nan 0.000 0.475 538 D N -0.013 119.909 120.400 -0.798 0.000 2.104 538 D HA -0.158 4.482 4.640 0.001 0.000 0.194 538 D C 2.262 178.488 176.300 -0.123 0.000 0.994 538 D CA 1.435 55.210 54.000 -0.375 0.000 0.830 538 D CB -0.224 40.434 40.800 -0.236 0.000 0.959 538 D HN 0.109 nan 8.370 nan 0.000 0.452 539 A N 0.575 123.264 122.820 -0.219 0.000 1.917 539 A HA -0.127 4.194 4.320 0.001 0.000 0.219 539 A C 2.389 179.787 177.584 -0.310 0.000 1.182 539 A CA 2.677 54.506 52.037 -0.347 0.000 0.633 539 A CB -1.264 17.434 19.000 -0.502 0.000 0.819 539 A HN 0.355 nan 8.150 nan 0.000 0.448 540 A N -0.653 122.141 122.820 -0.043 0.000 1.865 540 A HA -0.048 4.272 4.320 0.001 0.000 0.217 540 A C 2.225 179.878 177.584 0.116 0.000 1.191 540 A CA 1.962 54.093 52.037 0.157 0.000 0.623 540 A CB -1.169 17.941 19.000 0.183 0.000 0.826 540 A HN 0.525 nan 8.150 nan 0.000 0.444 541 V N 0.092 120.077 119.914 0.119 0.000 2.380 541 V HA -0.226 3.894 4.120 0.001 0.000 0.251 541 V C 2.519 178.669 176.094 0.094 0.000 1.063 541 V CA 2.355 64.743 62.300 0.146 0.000 1.055 541 V CB -0.702 31.281 31.823 0.266 0.000 0.657 541 V HN 0.542 nan 8.190 nan 0.000 0.455 542 S N -0.649 115.079 115.700 0.045 0.000 2.558 542 S HA 0.235 4.706 4.470 0.001 0.000 0.217 542 S C 1.643 176.234 174.600 -0.014 0.000 0.975 542 S CA 0.673 58.879 58.200 0.010 0.000 0.912 542 S CB 0.301 63.489 63.200 -0.019 0.000 0.776 542 S HN 0.920 nan 8.310 nan 0.000 0.526 543 G N 1.136 109.934 108.800 -0.003 0.000 2.225 543 G HA2 -0.041 3.919 3.960 0.001 0.000 0.267 543 G HA3 -0.041 3.919 3.960 0.001 0.000 0.267 543 G C 0.235 175.133 174.900 -0.002 0.000 1.024 543 G CA 0.175 45.314 45.100 0.064 0.000 0.784 543 G HN 1.005 nan 8.290 nan 0.000 0.507 544 G N -1.940 106.687 108.800 -0.290 0.000 2.411 544 G HA2 0.620 4.581 3.960 0.001 0.000 0.295 544 G HA3 0.620 4.581 3.960 0.001 0.000 0.295 544 G C -1.071 173.558 174.900 -0.452 0.000 1.542 544 G CA -0.014 44.900 45.100 -0.310 0.000 0.814 544 G HN 1.158 nan 8.290 nan 0.000 0.557 548 S N 1.872 117.624 115.700 0.086 0.000 2.604 548 S HA 0.478 4.949 4.470 0.001 0.000 0.296 548 S C -1.035 173.689 174.600 0.207 0.000 1.097 548 S CA -0.630 57.654 58.200 0.139 0.000 0.883 548 S CB 1.031 64.327 63.200 0.160 0.000 1.081 548 S HN 0.658 nan 8.310 nan 0.000 0.448 549 V N 5.264 125.276 119.914 0.163 0.000 2.521 549 V HA 0.267 4.387 4.120 0.001 0.000 0.286 549 V C 0.097 176.323 176.094 0.221 0.000 1.034 549 V CA -0.052 62.364 62.300 0.194 0.000 1.045 549 V CB 0.382 32.290 31.823 0.141 0.000 0.974 549 V HN 0.711 nan 8.190 nan 0.000 0.480 550 L N 6.220 127.602 121.223 0.265 0.000 2.416 550 L HA 0.557 4.898 4.340 0.001 0.000 0.262 550 L C 0.487 177.536 176.870 0.298 0.000 1.093 550 L CA 0.037 55.039 54.840 0.270 0.000 0.801 550 L CB 0.790 42.956 42.059 0.179 0.000 1.191 550 L HN 0.527 nan 8.230 nan 0.000 0.459 551 R N 0.817 121.481 120.500 0.274 0.000 2.480 551 R HA 0.718 5.059 4.340 0.001 0.000 0.306 551 R C -0.931 175.261 176.300 -0.180 0.000 0.958 551 R CA -0.835 55.334 56.100 0.115 0.000 0.861 551 R CB 1.730 32.071 30.300 0.068 0.000 1.171 551 R HN 0.731 nan 8.270 nan 0.000 0.445 552 A N 2.829 125.434 122.820 -0.358 0.000 2.362 552 A HA 0.221 4.541 4.320 0.001 0.000 0.276 552 A C 1.184 178.533 177.584 -0.392 0.000 1.153 552 A CA -0.537 50.972 52.037 -0.879 0.000 0.813 552 A CB 0.750 19.452 19.000 -0.497 0.000 1.081 552 A HN 0.621 nan 8.150 nan 0.000 0.507 553 V N 3.362 123.058 119.914 -0.364 0.000 2.307 553 V HA -0.122 3.999 4.120 0.001 0.000 0.245 553 V C 1.048 177.086 176.094 -0.093 0.000 1.045 553 V CA 1.331 63.540 62.300 -0.152 0.000 1.024 553 V CB -0.770 30.997 31.823 -0.094 0.000 0.651 553 V HN 0.677 nan 8.190 nan 0.000 0.449 554 L N 2.589 123.760 121.223 -0.087 0.000 2.305 554 L HA 0.327 4.668 4.340 0.001 0.000 0.281 554 L C -2.072 174.796 176.870 -0.002 0.000 1.085 554 L CA -1.733 53.087 54.840 -0.034 0.000 0.813 554 L CB 0.334 42.389 42.059 -0.006 0.000 1.157 554 L HN 0.122 nan 8.230 nan 0.000 0.436 555 P HA 0.025 nan 4.420 nan 0.000 0.269 555 P C 0.212 177.583 177.300 0.118 0.000 1.209 555 P CA -0.352 62.790 63.100 0.070 0.000 0.776 555 P CB 0.900 32.641 31.700 0.069 0.000 0.876 556 R N 1.729 122.335 120.500 0.177 0.000 2.105 556 R HA -0.154 4.186 4.340 0.001 0.000 0.239 556 R C 0.514 176.994 176.300 0.300 0.000 1.135 556 R CA 1.687 57.955 56.100 0.281 0.000 0.967 556 R CB -0.233 30.240 30.300 0.288 0.000 0.861 556 R HN 0.420 nan 8.270 nan 0.000 0.442 557 D N -0.139 120.393 120.400 0.219 0.000 2.349 557 D HA -0.092 4.549 4.640 0.001 0.000 0.224 557 D C 1.474 177.850 176.300 0.127 0.000 1.029 557 D CA 0.488 54.609 54.000 0.203 0.000 0.879 557 D CB 0.140 41.074 40.800 0.223 0.000 0.906 557 D HN 0.354 nan 8.370 nan 0.000 0.528 558 M N -0.199 119.453 119.600 0.087 0.000 2.466 558 M HA -0.056 4.425 4.480 0.001 0.000 0.265 558 M C 1.348 177.651 176.300 0.004 0.000 1.122 558 M CA 0.747 56.057 55.300 0.017 0.000 1.157 558 M CB 0.456 33.039 32.600 -0.028 0.000 1.352 558 M HN -0.192 nan 8.290 nan 0.000 0.464 559 V N 0.501 120.431 119.914 0.027 0.000 2.548 559 V HA -0.035 4.085 4.120 0.001 0.000 0.249 559 V C 0.560 176.508 176.094 -0.243 0.000 1.055 559 V CA 1.064 63.299 62.300 -0.109 0.000 1.065 559 V CB -0.606 31.141 31.823 -0.127 0.000 0.681 559 V HN 0.224 nan 8.190 nan 0.000 0.462 560 F N -0.143 119.878 119.950 0.118 0.000 2.523 560 F HA 0.656 5.184 4.527 0.002 0.000 0.329 560 F C 0.753 176.593 175.800 0.066 0.000 1.061 560 F CA -1.263 56.795 58.000 0.096 0.000 0.967 560 F CB 1.150 40.204 39.000 0.091 0.000 1.218 560 F HN -0.040 nan 8.300 nan 0.000 0.480 561 R N 0.000 120.655 120.500 0.259 0.000 2.786 561 R HA 0.000 4.341 4.340 0.001 0.000 0.208 561 R CA 0.000 56.188 56.100 0.146 0.000 0.921 561 R CB 0.000 30.355 30.300 0.092 0.000 0.687 561 R HN 0.000 nan 8.270 nan 0.000 0.535