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 1v02_1_E DATA FIRST_RESID 13 DATA SEQUENCE RLSPWEIPRR DWFPPSFLFG AATSAYQIEG AWNEDGKGPS TWDHFCHNFP DATA SEQUENCE EWIVDRSNGD VAADSYHMYA EDVRLLKEMG MDAYRFSISW PRILPKGTLA DATA SEQUENCE GGINEKRVEY YNKLIDLLLE NGIEPYITIF HWDTPQALVD AYGGFLDERI DATA SEQUENCE IKDYTDFAKV CFEKFGKKVK NWLTFNEPET FCSVSYGTGV LAPGRcSPGV DATA SEQUENCE ScAVPTGNSL SEPYIVAHNL LRAHAETVDI YNKYHKGADG RIGLALNVFG DATA SEQUENCE RVPYTNTFLD QQAQERSMDK CLGWFLEPVV RGDYPFSMRV SARDRVPYFK DATA SEQUENCE EKEQEKLVGS YDMIGINYYT STFSKHIDLS PNNSPVLNTD DAYASQETKG DATA SEQUENCE PDGNAIGPPT GNAWINMYPK GLHDILMTMK NKYGNPPMYI TENGMGDIDK DATA SEQUENCE GDLPKPVALE DHTRLDYIQR HLSVLKQSID LGADVRGYFA WSLLDNFEWS DATA SEQUENCE SGYTERFGIV YVDRENGCER TMKRSARWLQ EFNG 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 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.218 176.300 -0.137 0.000 0.893 13 R CA 0.000 56.035 56.100 -0.109 0.000 0.921 13 R CB 0.000 30.251 30.300 -0.082 0.000 0.687 14 L N 2.526 123.650 121.223 -0.166 0.000 2.483 14 L HA 0.189 4.529 4.340 0.001 0.000 0.276 14 L C 0.248 176.945 176.870 -0.288 0.000 1.213 14 L CA 0.148 54.858 54.840 -0.217 0.000 0.843 14 L CB 1.242 43.175 42.059 -0.210 0.000 1.107 14 L HN 0.203 nan 8.230 nan 0.000 0.487 15 S N 2.953 118.375 115.700 -0.463 0.000 2.584 15 S HA 0.075 4.545 4.470 0.001 0.000 0.270 15 S C -1.531 172.707 174.600 -0.603 0.000 1.346 15 S CA -0.953 56.837 58.200 -0.683 0.000 1.018 15 S CB 0.942 63.273 63.200 -1.450 0.000 0.899 15 S HN 0.483 nan 8.310 nan 0.000 0.542 16 P HA -0.086 nan 4.420 nan 0.000 0.216 16 P C 1.031 178.355 177.300 0.039 0.000 1.150 16 P CA 1.107 64.174 63.100 -0.054 0.000 0.837 16 P CB -0.021 31.759 31.700 0.133 0.000 0.786 17 W N -0.095 121.257 121.300 0.088 0.000 3.047 17 W HA 0.168 4.829 4.660 0.001 0.000 0.250 17 W C 1.080 177.728 176.519 0.214 0.000 1.314 17 W CA 0.227 57.652 57.345 0.133 0.000 1.540 17 W CB -1.139 28.381 29.460 0.100 0.000 1.127 17 W HN -0.031 nan 8.180 nan 0.000 0.679 18 E N 0.888 120.902 120.200 -0.312 0.000 2.474 18 E HA 0.022 4.372 4.350 0.001 0.000 0.194 18 E C 0.554 177.191 176.600 0.061 0.000 1.041 18 E CA -0.184 56.171 56.400 -0.075 0.000 0.874 18 E CB 0.203 29.715 29.700 -0.313 0.000 0.914 18 E HN 0.123 nan 8.360 nan 0.000 0.498 19 I N 3.172 123.713 120.570 -0.049 0.000 2.471 19 I HA 0.108 4.278 4.170 0.001 0.000 0.286 19 I C -2.173 173.738 176.117 -0.343 0.000 1.079 19 I CA -2.778 58.448 61.300 -0.123 0.000 1.398 19 I CB -0.161 37.813 38.000 -0.043 0.000 1.403 19 I HN -0.267 nan 8.210 nan 0.000 0.530 20 P HA 0.151 nan 4.420 nan 0.000 0.266 20 P C -0.498 176.458 177.300 -0.574 0.000 1.195 20 P CA 0.085 62.464 63.100 -1.201 0.000 0.768 20 P CB 0.530 32.076 31.700 -0.257 0.000 0.838 21 R N 1.836 121.667 120.500 -1.115 0.000 2.778 21 R HA 0.389 4.730 4.340 0.001 0.000 0.277 21 R C 1.264 177.286 176.300 -0.463 0.000 0.977 21 R CA -0.857 54.934 56.100 -0.515 0.000 0.950 21 R CB 1.045 31.146 30.300 -0.333 0.000 1.165 21 R HN 0.215 nan 8.270 nan 0.000 0.474 22 R N 1.561 121.517 120.500 -0.906 0.000 2.117 22 R HA -0.164 4.176 4.340 0.001 0.000 0.243 22 R C 0.784 177.028 176.300 -0.094 0.000 1.143 22 R CA 2.363 57.925 56.100 -0.897 0.000 0.968 22 R CB -0.375 29.327 30.300 -0.997 0.000 0.863 22 R HN 0.734 nan 8.270 nan 0.000 0.444 23 D N -1.645 118.735 120.400 -0.034 0.000 2.336 23 D HA -0.096 4.544 4.640 0.001 0.000 0.229 23 D C 0.808 177.245 176.300 0.227 0.000 1.061 23 D CA 0.037 54.102 54.000 0.109 0.000 0.875 23 D CB -0.644 40.193 40.800 0.061 0.000 0.904 23 D HN 0.223 nan 8.370 nan 0.000 0.525 24 W N 0.393 121.657 121.300 -0.059 0.000 2.421 24 W HA 0.123 4.784 4.660 0.001 0.000 0.270 24 W C 0.106 176.318 176.519 -0.512 0.000 1.233 24 W CA -0.119 57.055 57.345 -0.285 0.000 1.226 24 W CB -0.736 28.478 29.460 -0.410 0.000 1.121 24 W HN -0.096 nan 8.180 nan 0.000 0.579 25 F N 0.195 120.247 119.950 0.171 0.000 2.507 25 F HA 0.420 4.948 4.527 0.001 0.000 0.327 25 F C -1.654 174.195 175.800 0.082 0.000 1.068 25 F CA -3.224 54.777 58.000 0.001 0.000 0.965 25 F CB -0.095 38.786 39.000 -0.198 0.000 1.192 25 F HN -0.500 nan 8.300 nan 0.000 0.476 26 P HA 0.051 nan 4.420 nan 0.000 0.267 26 P C -2.095 175.374 177.300 0.282 0.000 1.200 26 P CA -0.772 62.476 63.100 0.246 0.000 0.772 26 P CB 0.180 32.038 31.700 0.263 0.000 0.855 27 P HA -0.219 nan 4.420 nan 0.000 0.217 27 P C 1.253 178.670 177.300 0.195 0.000 1.151 27 P CA 1.891 65.093 63.100 0.170 0.000 0.849 27 P CB -0.242 31.528 31.700 0.117 0.000 0.787 28 S N -2.820 113.001 115.700 0.201 0.000 2.558 28 S HA 0.012 4.482 4.470 0.001 0.000 0.217 28 S C 0.545 175.263 174.600 0.198 0.000 0.975 28 S CA -0.431 57.875 58.200 0.177 0.000 0.912 28 S CB -1.229 62.059 63.200 0.145 0.000 0.776 28 S HN -0.039 nan 8.310 nan 0.000 0.526 29 F N 2.483 122.499 119.950 0.109 0.000 2.563 29 F HA 0.374 4.901 4.527 0.000 0.000 0.363 29 F C 0.018 175.793 175.800 -0.040 0.000 1.123 29 F CA -0.407 57.614 58.000 0.035 0.000 1.307 29 F CB 0.397 39.453 39.000 0.093 0.000 1.115 29 F HN 0.068 nan 8.300 nan 0.000 0.592 30 L N 6.327 127.242 121.223 -0.513 0.000 2.307 30 L HA 0.377 4.718 4.340 0.001 0.000 0.284 30 L C -1.043 175.446 176.870 -0.635 0.000 1.023 30 L CA -0.692 53.924 54.840 -0.373 0.000 0.810 30 L CB 1.163 42.992 42.059 -0.382 0.000 1.231 30 L HN 0.458 nan 8.230 nan 0.000 0.423 31 F N 1.057 120.940 119.950 -0.112 0.000 2.458 31 F HA 0.744 5.271 4.527 0.000 0.000 0.336 31 F C 0.734 176.389 175.800 -0.242 0.000 1.114 31 F CA -0.318 57.622 58.000 -0.099 0.000 0.987 31 F CB 2.070 41.127 39.000 0.095 0.000 1.130 31 F HN 0.467 nan 8.300 nan 0.000 0.458 32 G N 0.636 109.278 108.800 -0.264 0.000 2.870 32 G HA2 0.830 4.790 3.960 0.001 0.000 0.299 32 G HA3 0.830 4.790 3.960 0.001 0.000 0.299 32 G C -2.033 172.924 174.900 0.095 0.000 1.324 32 G CA -0.607 44.387 45.100 -0.177 0.000 0.808 32 G HN 0.850 nan 8.290 nan 0.000 0.535 33 A N -1.718 121.302 122.820 0.332 0.000 2.532 33 A HA 1.024 5.344 4.320 0.001 0.000 0.290 33 A C -0.540 177.318 177.584 0.458 0.000 1.143 33 A CA 0.017 52.252 52.037 0.330 0.000 0.728 33 A CB 1.502 20.618 19.000 0.192 0.000 1.317 33 A HN 2.296 nan 8.150 nan 0.000 0.414 34 A N -0.128 122.838 122.820 0.243 0.000 2.454 34 A HA 0.970 5.291 4.320 0.001 0.000 0.302 34 A C -0.155 177.333 177.584 -0.161 0.000 1.079 34 A CA 0.112 52.231 52.037 0.137 0.000 0.731 34 A CB 1.408 20.568 19.000 0.267 0.000 1.299 34 A HN 2.140 nan 8.150 nan 0.000 0.413 35 T N -1.612 112.877 114.554 -0.108 0.000 2.778 35 T HA 0.857 5.207 4.350 0.001 0.000 0.293 35 T C -0.205 174.509 174.700 0.024 0.000 1.144 35 T CA -0.034 61.910 62.100 -0.259 0.000 1.010 35 T CB 1.217 70.043 68.868 -0.070 0.000 1.325 35 T HN 1.971 nan 8.240 nan 0.000 0.515 36 S N -0.727 114.952 115.700 -0.034 0.000 2.595 36 S HA 0.755 5.225 4.470 0.001 0.000 0.281 36 S C 1.385 175.942 174.600 -0.073 0.000 1.117 36 S CA -0.351 57.719 58.200 -0.216 0.000 0.873 36 S CB 1.347 63.982 63.200 -0.942 0.000 1.108 36 S HN 1.384 nan 8.310 nan 0.000 0.477 37 A N 1.251 124.093 122.820 0.037 0.000 1.865 37 A HA -0.059 4.261 4.320 0.001 0.000 0.217 37 A C 1.869 179.514 177.584 0.103 0.000 1.191 37 A CA 1.962 54.100 52.037 0.168 0.000 0.623 37 A CB -1.649 17.525 19.000 0.290 0.000 0.826 37 A HN 1.116 nan 8.150 nan 0.000 0.444 38 Y N 0.620 120.924 120.300 0.007 0.000 2.274 38 Y HA -0.188 4.362 4.550 0.001 0.000 0.290 38 Y C 2.476 178.257 175.900 -0.198 0.000 1.145 38 Y CA 2.154 60.231 58.100 -0.038 0.000 1.203 38 Y CB -0.207 38.284 38.460 0.051 0.000 0.984 38 Y HN 0.471 nan 8.280 nan 0.000 0.533 39 Q N -0.550 119.074 119.800 -0.293 0.000 2.311 39 Q HA -0.010 4.331 4.340 0.001 0.000 0.203 39 Q C 1.844 177.722 176.000 -0.203 0.000 0.954 39 Q CA 1.616 57.200 55.803 -0.364 0.000 0.885 39 Q CB 0.117 28.594 28.738 -0.435 0.000 0.963 39 Q HN 0.772 nan 8.270 nan 0.000 0.471 40 I N -4.463 116.024 120.570 -0.137 0.000 4.471 40 I HA 0.175 4.346 4.170 0.001 0.000 0.326 40 I C 1.514 177.613 176.117 -0.029 0.000 1.300 40 I CA 0.027 61.291 61.300 -0.060 0.000 1.237 40 I CB 0.272 38.260 38.000 -0.020 0.000 1.195 40 I HN -0.132 nan 8.210 nan 0.000 0.427 41 E N 2.299 122.480 120.200 -0.033 0.000 2.072 41 E HA 0.166 4.516 4.350 0.001 0.000 0.190 41 E C 1.570 178.145 176.600 -0.041 0.000 0.982 41 E CA 0.950 57.352 56.400 0.003 0.000 0.803 41 E CB -0.146 29.567 29.700 0.021 0.000 0.755 41 E HN 0.648 nan 8.360 nan 0.000 0.453 42 G N 0.856 109.603 108.800 -0.089 0.000 2.552 42 G HA2 -0.324 3.637 3.960 0.001 0.000 0.265 42 G HA3 -0.324 3.637 3.960 0.001 0.000 0.265 42 G C 0.442 175.304 174.900 -0.064 0.000 1.234 42 G CA 0.334 45.409 45.100 -0.041 0.000 0.944 42 G HN 0.994 nan 8.290 nan 0.000 0.568 43 A N -1.376 121.424 122.820 -0.034 0.000 2.596 43 A HA -0.167 4.153 4.320 0.001 0.000 0.300 43 A C 1.339 178.790 177.584 -0.223 0.000 1.495 43 A CA 2.046 53.960 52.037 -0.205 0.000 0.769 43 A CB -2.099 16.505 19.000 -0.660 0.000 1.047 43 A HN 2.365 nan 8.150 nan 0.000 0.436 44 W N 0.577 121.807 121.300 -0.115 0.000 2.465 44 W HA -0.060 4.601 4.660 0.001 0.000 0.268 44 W C 0.635 177.144 176.519 -0.017 0.000 1.242 44 W CA 1.248 58.572 57.345 -0.035 0.000 1.248 44 W CB -0.616 28.888 29.460 0.072 0.000 1.118 44 W HN 1.007 nan 8.180 nan 0.000 0.587 45 N N -0.074 118.016 118.700 -1.017 0.000 2.377 45 N HA 0.100 4.840 4.740 0.001 0.000 0.259 45 N C -0.765 174.413 175.510 -0.553 0.000 1.332 45 N CA -0.236 52.232 53.050 -0.970 0.000 0.877 45 N CB -0.596 36.893 38.487 -1.665 0.000 1.299 45 N HN 0.139 nan 8.380 nan 0.000 0.501 46 E N 0.569 120.507 120.200 -0.437 0.000 2.313 46 E HA 0.172 4.523 4.350 0.001 0.000 0.272 46 E C -0.565 175.889 176.600 -0.243 0.000 1.038 46 E CA -0.457 55.766 56.400 -0.295 0.000 0.863 46 E CB 0.565 30.095 29.700 -0.283 0.000 1.060 46 E HN 0.064 nan 8.360 nan 0.000 0.402 47 D N 1.793 122.126 120.400 -0.112 0.000 2.751 47 D HA -0.211 4.429 4.640 0.001 0.000 0.233 47 D C 0.648 176.919 176.300 -0.048 0.000 1.149 47 D CA 1.505 55.484 54.000 -0.035 0.000 0.682 47 D CB -1.314 39.519 40.800 0.054 0.000 1.068 47 D HN 0.883 nan 8.370 nan 0.000 0.429 48 G N -0.333 108.419 108.800 -0.080 0.000 2.176 48 G HA2 -0.383 3.577 3.960 0.001 0.000 0.253 48 G HA3 -0.383 3.577 3.960 0.001 0.000 0.253 48 G C 0.383 175.247 174.900 -0.059 0.000 0.979 48 G CA 0.560 45.627 45.100 -0.055 0.000 0.641 48 G HN 0.653 nan 8.290 nan 0.000 0.530 49 K N 1.178 121.517 120.400 -0.102 0.000 2.451 49 K HA 0.451 4.772 4.320 0.001 0.000 0.280 49 K C 1.129 177.695 176.600 -0.057 0.000 1.020 49 K CA 0.347 56.593 56.287 -0.069 0.000 1.008 49 K CB 0.028 32.455 32.500 -0.122 0.000 0.917 49 K HN 0.369 nan 8.250 nan 0.000 0.478 50 G N 4.208 113.010 108.800 0.005 0.000 2.537 50 G HA2 0.300 4.260 3.960 0.001 0.000 0.273 50 G HA3 0.300 4.260 3.960 0.001 0.000 0.273 50 G C -2.473 172.483 174.900 0.094 0.000 1.189 50 G CA -1.343 43.770 45.100 0.021 0.000 0.881 50 G HN 0.564 nan 8.290 nan 0.000 0.535 51 P HA 0.172 nan 4.420 nan 0.000 0.275 51 P C 0.087 177.490 177.300 0.172 0.000 1.227 51 P CA -0.200 63.053 63.100 0.255 0.000 0.781 51 P CB 1.495 33.350 31.700 0.258 0.000 0.906 52 S N 0.537 116.369 115.700 0.220 0.000 2.730 52 S HA 0.264 4.734 4.470 0.001 0.000 0.284 52 S C 1.569 176.258 174.600 0.149 0.000 1.153 52 S CA 0.129 58.431 58.200 0.170 0.000 0.995 52 S CB -0.174 63.168 63.200 0.236 0.000 1.058 52 S HN 0.548 nan 8.310 nan 0.000 0.552 53 T N -2.154 112.469 114.554 0.115 0.000 2.803 53 T HA -0.159 4.192 4.350 0.001 0.000 0.269 53 T C 1.202 175.838 174.700 -0.108 0.000 1.052 53 T CA 1.288 63.397 62.100 0.014 0.000 1.136 53 T CB -0.787 68.044 68.868 -0.061 0.000 0.864 53 T HN 0.714 nan 8.240 nan 0.000 0.467 54 W N 1.954 123.195 121.300 -0.098 0.000 2.409 54 W HA 0.072 4.733 4.660 0.001 0.000 0.299 54 W C 2.285 178.638 176.519 -0.276 0.000 1.203 54 W CA 0.666 57.834 57.345 -0.295 0.000 1.298 54 W CB -0.150 28.800 29.460 -0.850 0.000 1.127 54 W HN 0.198 nan 8.180 nan 0.000 0.528 55 D N -1.487 118.910 120.400 -0.006 0.000 2.104 55 D HA -0.266 4.374 4.640 0.001 0.000 0.194 55 D C 1.747 177.889 176.300 -0.262 0.000 0.994 55 D CA 1.845 55.726 54.000 -0.198 0.000 0.830 55 D CB -0.864 39.991 40.800 0.092 0.000 0.959 55 D HN 0.396 nan 8.370 nan 0.000 0.452 56 H N -0.975 118.048 119.070 -0.078 0.000 2.321 56 H HA -0.161 4.395 4.556 0.001 0.000 0.300 56 H C 2.192 177.542 175.328 0.037 0.000 1.087 56 H CA 0.980 57.028 56.048 -0.000 0.000 1.319 56 H CB -0.087 29.700 29.762 0.041 0.000 1.379 56 H HN 0.035 nan 8.280 nan 0.000 0.501 57 F N 0.947 120.841 119.950 -0.094 0.000 2.102 57 F HA -0.232 4.295 4.527 0.001 0.000 0.298 57 F C 2.524 178.367 175.800 0.071 0.000 1.105 57 F CA 1.530 59.476 58.000 -0.091 0.000 1.239 57 F CB -0.861 37.883 39.000 -0.427 0.000 0.991 57 F HN 0.261 nan 8.300 nan 0.000 0.474 58 C N -0.303 119.046 119.300 0.081 0.000 2.440 58 C HA -0.167 4.293 4.460 0.001 0.000 0.278 58 C C 2.612 177.617 174.990 0.025 0.000 1.295 58 C CA 1.433 60.485 59.018 0.057 0.000 1.738 58 C CB -1.815 25.987 27.740 0.103 0.000 1.987 58 C HN 0.544 nan 8.230 nan 0.000 0.492 59 H N -0.472 118.581 119.070 -0.029 0.000 2.482 59 H HA 0.006 4.563 4.556 0.001 0.000 0.286 59 H C 1.912 177.172 175.328 -0.114 0.000 1.017 59 H CA 0.683 56.678 56.048 -0.087 0.000 1.322 59 H CB 0.109 29.794 29.762 -0.127 0.000 1.426 59 H HN 0.523 nan 8.280 nan 0.000 0.546 60 N N -0.027 118.632 118.700 -0.068 0.000 2.414 60 N HA 0.005 4.746 4.740 0.001 0.000 0.177 60 N C -0.444 174.633 175.510 -0.722 0.000 1.062 60 N CA 0.500 53.304 53.050 -0.411 0.000 0.890 60 N CB 0.726 38.889 38.487 -0.540 0.000 1.070 60 N HN 0.172 nan 8.380 nan 0.000 0.454 61 F N 1.148 121.004 119.950 -0.158 0.000 2.597 61 F HA 0.362 4.890 4.527 0.001 0.000 0.336 61 F C -1.658 174.062 175.800 -0.134 0.000 1.432 61 F CA -1.581 56.329 58.000 -0.150 0.000 1.120 61 F CB 1.415 40.191 39.000 -0.372 0.000 1.253 61 F HN -0.119 nan 8.300 nan 0.000 0.546 62 P HA -0.235 nan 4.420 nan 0.000 0.219 62 P C 1.319 178.658 177.300 0.065 0.000 1.146 62 P CA 1.512 64.651 63.100 0.066 0.000 0.808 62 P CB 0.197 31.929 31.700 0.052 0.000 0.779 63 E N -0.634 119.583 120.200 0.027 0.000 2.409 63 E HA -0.169 4.182 4.350 0.001 0.000 0.198 63 E C 0.974 177.439 176.600 -0.225 0.000 1.024 63 E CA 0.699 57.036 56.400 -0.106 0.000 0.861 63 E CB -0.980 28.609 29.700 -0.185 0.000 0.788 63 E HN 0.374 nan 8.360 nan 0.000 0.521 64 W N 1.046 122.335 121.300 -0.018 0.000 3.316 64 W HA 0.286 4.947 4.660 0.001 0.000 0.327 64 W C 0.177 176.750 176.519 0.090 0.000 1.232 64 W CA -0.528 56.814 57.345 -0.006 0.000 1.805 64 W CB 0.498 29.890 29.460 -0.113 0.000 1.090 64 W HN -0.130 nan 8.180 nan 0.000 0.654 65 I N 0.422 121.137 120.570 0.243 0.000 2.377 65 I HA 0.066 4.236 4.170 0.001 0.000 0.293 65 I C 1.261 177.471 176.117 0.155 0.000 0.987 65 I CA -0.643 60.816 61.300 0.265 0.000 1.185 65 I CB 1.182 39.385 38.000 0.338 0.000 1.341 65 I HN -0.292 nan 8.210 nan 0.000 0.455 66 V N 4.849 124.842 119.914 0.131 0.000 2.392 66 V HA -0.235 3.885 4.120 0.001 0.000 0.249 66 V C 1.519 177.660 176.094 0.078 0.000 1.059 66 V CA 2.480 64.830 62.300 0.083 0.000 1.051 66 V CB -0.370 31.501 31.823 0.081 0.000 0.658 66 V HN 0.940 nan 8.190 nan 0.000 0.455 67 D N -1.463 119.002 120.400 0.108 0.000 2.462 67 D HA 0.063 4.704 4.640 0.001 0.000 0.221 67 D C 0.789 177.173 176.300 0.141 0.000 1.173 67 D CA -0.447 53.624 54.000 0.118 0.000 0.831 67 D CB -0.421 40.465 40.800 0.143 0.000 1.001 67 D HN 0.470 nan 8.370 nan 0.000 0.499 68 R N -0.113 120.471 120.500 0.141 0.000 3.516 68 R HA -0.168 4.172 4.340 0.001 0.000 0.271 68 R C -0.047 176.374 176.300 0.202 0.000 1.098 68 R CA 0.938 57.125 56.100 0.146 0.000 0.732 68 R CB -2.794 27.559 30.300 0.089 0.000 1.152 68 R HN 0.530 nan 8.270 nan 0.000 0.455 69 S N 0.045 115.926 115.700 0.302 0.000 2.767 69 S HA 0.719 5.190 4.470 0.001 0.000 0.300 69 S C 0.101 174.952 174.600 0.419 0.000 1.123 69 S CA -0.397 58.036 58.200 0.389 0.000 0.992 69 S CB 2.068 65.615 63.200 0.579 0.000 1.138 69 S HN 0.433 nan 8.310 nan 0.000 0.550 70 N N -2.116 116.757 118.700 0.289 0.000 2.972 70 N HA 0.525 5.265 4.740 0.001 0.000 0.262 70 N C -0.005 175.231 175.510 -0.457 0.000 1.478 70 N CA -0.660 52.324 53.050 -0.110 0.000 0.841 70 N CB 0.368 38.850 38.487 -0.008 0.000 1.512 70 N HN 0.717 nan 8.380 nan 0.000 0.548 71 G N -1.308 107.029 108.800 -0.772 0.000 3.314 71 G HA2 0.042 4.002 3.960 0.001 0.000 0.238 71 G HA3 0.042 4.002 3.960 0.001 0.000 0.238 71 G C -0.137 174.498 174.900 -0.443 0.000 1.184 71 G CA -0.167 44.378 45.100 -0.925 0.000 0.806 71 G HN 0.564 nan 8.290 nan 0.000 0.536 72 D N 0.343 120.625 120.400 -0.196 0.000 2.123 72 D HA -0.114 4.526 4.640 0.001 0.000 0.196 72 D C 2.421 178.794 176.300 0.121 0.000 0.992 72 D CA 1.046 55.047 54.000 0.001 0.000 0.833 72 D CB 0.271 41.080 40.800 0.016 0.000 0.954 72 D HN 0.289 nan 8.370 nan 0.000 0.455 73 V N -0.582 119.351 119.914 0.032 0.000 3.013 73 V HA 0.359 4.479 4.120 0.001 0.000 0.238 73 V C 1.346 177.433 176.094 -0.011 0.000 1.161 73 V CA 0.611 62.932 62.300 0.034 0.000 1.170 73 V CB -0.137 31.698 31.823 0.021 0.000 0.917 73 V HN 0.325 nan 8.190 nan 0.000 0.478 74 A N 1.155 123.971 122.820 -0.007 0.000 5.382 74 A HA -0.310 4.010 4.320 0.001 0.000 0.307 74 A C 1.598 179.184 177.584 0.003 0.000 1.937 74 A CA 1.967 54.042 52.037 0.063 0.000 0.715 74 A CB -1.994 16.964 19.000 -0.071 0.000 1.293 74 A HN 1.536 nan 8.150 nan 0.000 0.374 75 A N -0.910 121.913 122.820 0.005 0.000 2.345 75 A HA 0.437 4.757 4.320 0.001 0.000 0.225 75 A C 0.741 178.330 177.584 0.009 0.000 1.243 75 A CA 1.851 53.880 52.037 -0.013 0.000 0.875 75 A CB -0.403 18.587 19.000 -0.017 0.000 0.929 75 A HN 2.124 nan 8.150 nan 0.000 0.502 76 D N -1.276 119.142 120.400 0.030 0.000 2.837 76 D HA -0.146 4.494 4.640 0.001 0.000 0.230 76 D C 0.916 177.275 176.300 0.100 0.000 1.152 76 D CA 1.062 55.115 54.000 0.089 0.000 0.736 76 D CB -1.583 39.288 40.800 0.120 0.000 1.084 76 D HN 0.288 nan 8.370 nan 0.000 0.429 77 S N -1.227 114.521 115.700 0.080 0.000 2.481 77 S HA -0.122 4.348 4.470 0.001 0.000 0.231 77 S C 1.365 176.076 174.600 0.185 0.000 0.996 77 S CA 0.591 58.872 58.200 0.135 0.000 0.942 77 S CB -0.210 63.077 63.200 0.144 0.000 0.768 77 S HN 0.578 nan 8.310 nan 0.000 0.520 78 Y N 2.228 122.425 120.300 -0.171 0.000 2.207 78 Y HA -0.232 4.319 4.550 0.001 0.000 0.287 78 Y C 2.261 177.977 175.900 -0.307 0.000 1.156 78 Y CA 1.827 59.580 58.100 -0.577 0.000 1.182 78 Y CB -0.209 37.753 38.460 -0.830 0.000 0.979 78 Y HN 0.422 nan 8.280 nan 0.000 0.521 79 H N -2.026 117.093 119.070 0.082 0.000 2.520 79 H HA 0.196 4.753 4.556 0.001 0.000 0.279 79 H C 1.342 176.701 175.328 0.052 0.000 0.990 79 H CA 1.026 57.103 56.048 0.048 0.000 1.288 79 H CB 0.058 29.844 29.762 0.040 0.000 1.446 79 H HN 0.393 nan 8.280 nan 0.000 0.538 80 M N 1.289 120.984 119.600 0.158 0.000 2.475 80 M HA 0.066 4.546 4.480 0.001 0.000 0.283 80 M C 1.124 177.394 176.300 -0.050 0.000 1.165 80 M CA -0.316 54.993 55.300 0.016 0.000 0.976 80 M CB 0.178 32.795 32.600 0.027 0.000 1.428 80 M HN 0.170 nan 8.290 nan 0.000 0.495 81 Y N -0.442 119.860 120.300 0.003 0.000 2.256 81 Y HA -0.033 4.518 4.550 0.001 0.000 0.288 81 Y C 2.096 177.941 175.900 -0.091 0.000 1.155 81 Y CA 1.315 59.392 58.100 -0.040 0.000 1.203 81 Y CB -1.071 37.360 38.460 -0.049 0.000 0.980 81 Y HN 0.194 nan 8.280 nan 0.000 0.530 82 A N 0.963 123.225 122.820 -0.931 0.000 1.972 82 A HA -0.152 4.169 4.320 0.001 0.000 0.219 82 A C 2.164 179.575 177.584 -0.288 0.000 1.169 82 A CA 1.628 53.310 52.037 -0.591 0.000 0.635 82 A CB -0.530 18.106 19.000 -0.607 0.000 0.810 82 A HN 0.506 nan 8.150 nan 0.000 0.446 83 E N 0.497 120.556 120.200 -0.234 0.000 2.077 83 E HA -0.173 4.177 4.350 0.001 0.000 0.193 83 E C 1.462 177.978 176.600 -0.141 0.000 0.989 83 E CA 1.339 57.649 56.400 -0.149 0.000 0.800 83 E CB -0.374 29.260 29.700 -0.109 0.000 0.746 83 E HN 0.576 nan 8.360 nan 0.000 0.452 84 D N 0.349 120.663 120.400 -0.144 0.000 2.104 84 D HA -0.128 4.513 4.640 0.001 0.000 0.194 84 D C 2.150 178.300 176.300 -0.251 0.000 0.994 84 D CA 0.843 54.732 54.000 -0.184 0.000 0.830 84 D CB -0.338 40.366 40.800 -0.161 0.000 0.959 84 D HN 0.024 nan 8.370 nan 0.000 0.452 85 V N 0.915 120.700 119.914 -0.214 0.000 2.343 85 V HA -0.220 3.901 4.120 0.001 0.000 0.247 85 V C 2.552 178.559 176.094 -0.144 0.000 1.051 85 V CA 1.640 63.828 62.300 -0.188 0.000 1.036 85 V CB -0.498 31.256 31.823 -0.116 0.000 0.654 85 V HN 0.150 nan 8.190 nan 0.000 0.451 86 R N -0.003 120.419 120.500 -0.131 0.000 2.083 86 R HA -0.174 4.166 4.340 0.001 0.000 0.237 86 R C 2.289 178.533 176.300 -0.093 0.000 1.137 86 R CA 1.808 57.847 56.100 -0.101 0.000 0.951 86 R CB -0.341 29.901 30.300 -0.097 0.000 0.851 86 R HN 0.455 nan 8.270 nan 0.000 0.434 87 L N 0.608 121.767 121.223 -0.107 0.000 2.046 87 L HA -0.192 4.148 4.340 0.001 0.000 0.208 87 L C 2.505 179.320 176.870 -0.092 0.000 1.077 87 L CA 1.157 55.942 54.840 -0.091 0.000 0.747 87 L CB -0.381 41.621 42.059 -0.094 0.000 0.896 87 L HN 0.250 nan 8.230 nan 0.000 0.432 88 L N -0.283 120.860 121.223 -0.134 0.000 2.042 88 L HA -0.242 4.099 4.340 0.001 0.000 0.210 88 L C 2.695 179.527 176.870 -0.063 0.000 1.076 88 L CA 1.179 55.950 54.840 -0.115 0.000 0.749 88 L CB -0.442 41.501 42.059 -0.194 0.000 0.893 88 L HN 0.190 nan 8.230 nan 0.000 0.432 89 K N 0.667 121.027 120.400 -0.066 0.000 2.026 89 K HA -0.180 4.141 4.320 0.001 0.000 0.208 89 K C 1.898 178.475 176.600 -0.038 0.000 1.048 89 K CA 1.564 57.825 56.287 -0.042 0.000 0.929 89 K CB -0.160 32.314 32.500 -0.044 0.000 0.713 89 K HN 0.267 nan 8.250 nan 0.000 0.439 90 E N -0.367 119.806 120.200 -0.045 0.000 2.153 90 E HA -0.158 4.192 4.350 0.001 0.000 0.194 90 E C 1.790 178.366 176.600 -0.039 0.000 0.988 90 E CA 1.333 57.709 56.400 -0.041 0.000 0.811 90 E CB -0.110 29.564 29.700 -0.043 0.000 0.746 90 E HN 0.376 nan 8.360 nan 0.000 0.466 91 M N -0.761 118.817 119.600 -0.036 0.000 2.595 91 M HA 0.064 4.545 4.480 0.001 0.000 0.248 91 M C 1.027 177.311 176.300 -0.028 0.000 1.119 91 M CA 0.604 55.885 55.300 -0.031 0.000 1.079 91 M CB 0.581 33.171 32.600 -0.016 0.000 1.472 91 M HN 0.254 nan 8.290 nan 0.000 0.501 92 G N 1.150 109.936 108.800 -0.023 0.000 2.176 92 G HA2 -0.214 3.746 3.960 0.001 0.000 0.252 92 G HA3 -0.214 3.746 3.960 0.001 0.000 0.252 92 G C 0.097 175.011 174.900 0.022 0.000 1.024 92 G CA -0.217 44.875 45.100 -0.013 0.000 0.755 92 G HN 0.296 nan 8.290 nan 0.000 0.507 93 M N 0.531 120.151 119.600 0.032 0.000 2.248 93 M HA 0.192 4.672 4.480 0.001 0.000 0.337 93 M C 1.107 177.449 176.300 0.069 0.000 1.121 93 M CA 0.171 55.512 55.300 0.068 0.000 1.155 93 M CB 0.309 32.944 32.600 0.059 0.000 1.514 93 M HN 0.117 nan 8.290 nan 0.000 0.452 94 D N 0.984 121.433 120.400 0.081 0.000 2.305 94 D HA 0.258 4.899 4.640 0.001 0.000 0.206 94 D C 0.265 176.611 176.300 0.076 0.000 0.974 94 D CA 0.586 54.629 54.000 0.071 0.000 0.871 94 D CB 0.599 41.439 40.800 0.067 0.000 0.947 94 D HN 0.621 nan 8.370 nan 0.000 0.516 95 A N -0.082 122.779 122.820 0.068 0.000 2.609 95 A HA 0.516 4.836 4.320 0.001 0.000 0.291 95 A C -2.093 175.708 177.584 0.361 0.000 1.096 95 A CA -0.633 51.512 52.037 0.179 0.000 0.684 95 A CB 1.920 20.938 19.000 0.031 0.000 1.282 95 A HN 0.019 nan 8.150 nan 0.000 0.412 96 Y N 0.730 121.231 120.300 0.334 0.000 2.396 96 Y HA 0.645 5.195 4.550 0.001 0.000 0.332 96 Y C -0.421 175.687 175.900 0.348 0.000 1.034 96 Y CA -0.913 57.395 58.100 0.346 0.000 1.057 96 Y CB 1.550 40.159 38.460 0.248 0.000 1.220 96 Y HN 0.830 nan 8.280 nan 0.000 0.440 97 R N 7.198 127.668 120.500 -0.049 0.000 2.255 97 R HA 0.621 4.961 4.340 0.001 0.000 0.326 97 R C -1.707 174.279 176.300 -0.524 0.000 0.986 97 R CA -0.322 55.528 56.100 -0.418 0.000 0.847 97 R CB 0.399 30.296 30.300 -0.672 0.000 1.111 97 R HN 0.583 nan 8.270 nan 0.000 0.452 98 F N 0.714 120.303 119.950 -0.602 0.000 2.664 98 F HA 0.650 5.177 4.527 0.001 0.000 0.317 98 F C -1.008 174.639 175.800 -0.255 0.000 1.108 98 F CA -1.131 56.581 58.000 -0.481 0.000 0.957 98 F CB 1.384 40.024 39.000 -0.599 0.000 1.365 98 F HN 0.419 nan 8.300 nan 0.000 0.475 99 S N 0.886 116.589 115.700 0.005 0.000 2.607 99 S HA 0.785 5.256 4.470 0.001 0.000 0.303 99 S C -1.024 173.631 174.600 0.092 0.000 1.086 99 S CA -0.754 57.419 58.200 -0.045 0.000 0.995 99 S CB 1.557 64.771 63.200 0.024 0.000 1.084 99 S HN 0.721 nan 8.310 nan 0.000 0.507 100 I N 2.183 122.740 120.570 -0.022 0.000 2.359 100 I HA 0.292 4.463 4.170 0.001 0.000 0.294 100 I C 0.416 176.684 176.117 0.253 0.000 0.987 100 I CA -0.512 60.706 61.300 -0.137 0.000 1.225 100 I CB 1.893 39.725 38.000 -0.278 0.000 1.366 100 I HN 0.754 nan 8.210 nan 0.000 0.466 101 S N 6.470 122.398 115.700 0.380 0.000 2.430 101 S HA -0.016 4.455 4.470 0.001 0.000 0.282 101 S C 0.865 175.674 174.600 0.348 0.000 1.186 101 S CA -0.342 58.100 58.200 0.404 0.000 1.060 101 S CB 0.166 63.619 63.200 0.421 0.000 0.966 101 S HN 0.683 nan 8.310 nan 0.000 0.501 102 W N 7.647 128.890 121.300 -0.094 0.000 2.301 102 W HA -0.063 4.597 4.660 0.001 0.000 0.325 102 W C -1.316 175.026 176.519 -0.296 0.000 1.250 102 W CA 1.565 58.452 57.345 -0.763 0.000 1.261 102 W CB -1.731 27.278 29.460 -0.752 0.000 1.157 102 W HN 0.627 nan 8.180 nan 0.000 0.473 103 P HA -0.107 nan 4.420 nan 0.000 0.237 103 P C 1.547 178.928 177.300 0.134 0.000 1.178 103 P CA 1.358 64.502 63.100 0.074 0.000 0.766 103 P CB -0.333 31.391 31.700 0.041 0.000 0.876 104 R N -0.208 120.417 120.500 0.208 0.000 2.119 104 R HA 0.009 4.349 4.340 0.001 0.000 0.222 104 R C 1.902 178.366 176.300 0.274 0.000 1.088 104 R CA 0.777 57.011 56.100 0.222 0.000 0.984 104 R CB -0.158 30.321 30.300 0.299 0.000 0.884 104 R HN 0.051 nan 8.270 nan 0.000 0.447 105 I N 0.450 121.215 120.570 0.324 0.000 2.494 105 I HA -0.016 4.154 4.170 0.001 0.000 0.250 105 I C 0.716 176.972 176.117 0.231 0.000 1.112 105 I CA 0.924 62.420 61.300 0.327 0.000 1.438 105 I CB -0.185 38.085 38.000 0.451 0.000 1.111 105 I HN 0.067 nan 8.210 nan 0.000 0.431 106 L N 1.896 123.253 121.223 0.224 0.000 2.384 106 L HA 0.266 4.607 4.340 0.001 0.000 0.261 106 L C -1.737 175.198 176.870 0.109 0.000 1.024 106 L CA -1.287 53.663 54.840 0.183 0.000 0.899 106 L CB 1.434 43.652 42.059 0.266 0.000 1.243 106 L HN -0.131 nan 8.230 nan 0.000 0.449 107 P HA -0.152 nan 4.420 nan 0.000 0.219 107 P C 0.792 178.091 177.300 -0.002 0.000 1.146 107 P CA 1.360 64.480 63.100 0.033 0.000 0.808 107 P CB 0.217 31.932 31.700 0.025 0.000 0.779 108 K N -2.039 118.363 120.400 0.005 0.000 2.372 108 K HA 0.303 4.623 4.320 0.001 0.000 0.200 108 K C 1.249 177.819 176.600 -0.050 0.000 1.022 108 K CA 0.535 56.809 56.287 -0.022 0.000 1.125 108 K CB -0.085 32.416 32.500 0.003 0.000 0.855 108 K HN 0.074 nan 8.250 nan 0.000 0.524 109 G N 1.707 110.472 108.800 -0.057 0.000 2.234 109 G HA2 -0.322 3.639 3.960 0.001 0.000 0.260 109 G HA3 -0.322 3.639 3.960 0.001 0.000 0.260 109 G C 0.397 175.428 174.900 0.217 0.000 0.987 109 G CA 0.933 45.976 45.100 -0.095 0.000 0.625 109 G HN 0.440 nan 8.290 nan 0.000 0.532 110 T N -2.162 112.488 114.554 0.159 0.000 2.924 110 T HA 0.732 5.083 4.350 0.001 0.000 0.291 110 T C 1.276 176.061 174.700 0.140 0.000 1.045 110 T CA -0.280 61.925 62.100 0.175 0.000 1.015 110 T CB 1.975 70.918 68.868 0.126 0.000 1.103 110 T HN 0.129 nan 8.240 nan 0.000 0.496 111 L N 0.945 122.239 121.223 0.118 0.000 2.046 111 L HA -0.045 4.296 4.340 0.001 0.000 0.208 111 L C 2.944 179.851 176.870 0.062 0.000 1.077 111 L CA 2.325 57.211 54.840 0.078 0.000 0.747 111 L CB -1.307 40.783 42.059 0.052 0.000 0.896 111 L HN 1.014 nan 8.230 nan 0.000 0.432 112 A N -0.334 122.523 122.820 0.061 0.000 1.972 112 A HA -0.127 4.193 4.320 0.001 0.000 0.219 112 A C 2.224 179.834 177.584 0.044 0.000 1.169 112 A CA 1.510 53.575 52.037 0.047 0.000 0.635 112 A CB -0.941 18.087 19.000 0.047 0.000 0.810 112 A HN 0.489 nan 8.150 nan 0.000 0.446 113 G N -1.258 107.573 108.800 0.052 0.000 2.598 113 G HA2 0.405 4.366 3.960 0.001 0.000 0.215 113 G HA3 0.405 4.366 3.960 0.001 0.000 0.215 113 G C 0.897 175.823 174.900 0.043 0.000 1.131 113 G CA 0.702 45.828 45.100 0.043 0.000 0.785 113 G HN 1.724 nan 8.290 nan 0.000 0.539 114 G N -0.784 108.046 108.800 0.050 0.000 2.697 114 G HA2 -0.106 3.855 3.960 0.001 0.000 0.686 114 G HA3 -0.106 3.855 3.960 0.001 0.000 0.686 114 G C -0.473 174.465 174.900 0.062 0.000 1.179 114 G CA -0.658 44.471 45.100 0.047 0.000 0.765 114 G HN 0.415 nan 8.290 nan 0.000 0.649 115 I N 1.297 121.902 120.570 0.058 0.000 2.371 115 I HA 0.148 4.319 4.170 0.001 0.000 0.290 115 I C 0.650 176.813 176.117 0.077 0.000 1.028 115 I CA -0.717 60.627 61.300 0.073 0.000 1.345 115 I CB 1.334 39.364 38.000 0.050 0.000 1.407 115 I HN 0.492 nan 8.210 nan 0.000 0.501 116 N N 6.316 125.077 118.700 0.103 0.000 2.421 116 N HA -0.006 4.735 4.740 0.001 0.000 0.260 116 N C 0.897 176.480 175.510 0.121 0.000 1.173 116 N CA 0.180 53.291 53.050 0.102 0.000 0.960 116 N CB 0.486 39.039 38.487 0.111 0.000 1.273 116 N HN 0.406 nan 8.380 nan 0.000 0.497 117 E N 2.746 123.002 120.200 0.093 0.000 2.268 117 E HA -0.143 4.207 4.350 0.001 0.000 0.195 117 E C 0.886 177.559 176.600 0.122 0.000 0.995 117 E CA 0.818 57.276 56.400 0.096 0.000 0.836 117 E CB 0.215 29.954 29.700 0.065 0.000 0.763 117 E HN 0.665 nan 8.360 nan 0.000 0.491 118 K N 0.390 120.860 120.400 0.118 0.000 2.097 118 K HA -0.139 4.181 4.320 0.001 0.000 0.206 118 K C 2.546 179.266 176.600 0.201 0.000 1.049 118 K CA 1.607 57.976 56.287 0.137 0.000 0.933 118 K CB -0.269 32.303 32.500 0.119 0.000 0.717 118 K HN 0.041 nan 8.250 nan 0.000 0.442 119 R N 1.235 121.870 120.500 0.225 0.000 2.081 119 R HA -0.081 4.259 4.340 0.001 0.000 0.235 119 R C 2.348 178.915 176.300 0.446 0.000 1.131 119 R CA 1.766 58.062 56.100 0.327 0.000 0.960 119 R CB -1.626 nan 30.300 nan 0.000 0.856 119 R HN 0.038 nan 8.270 nan 0.000 0.436 120 V N 1.218 121.362 119.914 0.383 0.000 2.287 120 V HA -0.302 3.818 4.120 0.001 0.000 0.248 120 V C 2.580 178.916 176.094 0.403 0.000 1.053 120 V CA 2.311 64.872 62.300 0.436 0.000 1.027 120 V CB -0.509 31.424 31.823 0.184 0.000 0.646 120 V HN 0.769 nan 8.190 nan 0.000 0.447 121 E N -0.609 119.734 120.200 0.238 0.000 2.085 121 E HA -0.304 4.047 4.350 0.001 0.000 0.194 121 E C 2.204 178.847 176.600 0.072 0.000 0.994 121 E CA 1.899 58.388 56.400 0.148 0.000 0.801 121 E CB -0.288 29.473 29.700 0.100 0.000 0.743 121 E HN 0.713 nan 8.360 nan 0.000 0.453 122 Y N 0.280 120.521 120.300 -0.098 0.000 2.097 122 Y HA -0.292 4.258 4.550 0.001 0.000 0.282 122 Y C 1.742 177.381 175.900 -0.436 0.000 1.152 122 Y CA 2.071 59.934 58.100 -0.395 0.000 1.136 122 Y CB -0.751 37.421 38.460 -0.481 0.000 0.975 122 Y HN 0.105 nan 8.280 nan 0.000 0.498 123 Y N 0.399 120.557 120.300 -0.236 0.000 2.242 123 Y HA -0.184 4.366 4.550 0.001 0.000 0.291 123 Y C 2.496 178.170 175.900 -0.377 0.000 1.137 123 Y CA 1.467 59.288 58.100 -0.465 0.000 1.181 123 Y CB -0.835 37.416 38.460 -0.349 0.000 0.989 123 Y HN 0.203 nan 8.280 nan 0.000 0.527 124 N N 0.407 119.161 118.700 0.090 0.000 2.166 124 N HA -0.155 4.585 4.740 0.001 0.000 0.186 124 N C 1.656 177.128 175.510 -0.063 0.000 1.019 124 N CA 1.232 54.342 53.050 0.100 0.000 0.856 124 N CB -0.199 38.428 38.487 0.234 0.000 0.993 124 N HN 0.399 nan 8.380 nan 0.000 0.426 125 K N 0.478 120.770 120.400 -0.180 0.000 2.057 125 K HA -0.133 4.188 4.320 0.001 0.000 0.207 125 K C 1.966 178.405 176.600 -0.267 0.000 1.049 125 K CA 0.755 56.914 56.287 -0.213 0.000 0.931 125 K CB -0.262 32.054 32.500 -0.307 0.000 0.714 125 K HN 0.061 nan 8.250 nan 0.000 0.440 126 L N 1.593 122.481 121.223 -0.558 0.000 2.005 126 L HA -0.127 4.213 4.340 0.001 0.000 0.207 126 L C 1.962 178.695 176.870 -0.229 0.000 1.072 126 L CA 1.498 56.062 54.840 -0.460 0.000 0.744 126 L CB -0.350 41.230 42.059 -0.799 0.000 0.895 126 L HN 0.107 nan 8.230 nan 0.000 0.433 127 I N 0.021 120.471 120.570 -0.199 0.000 2.163 127 I HA -0.320 3.850 4.170 0.001 0.000 0.243 127 I C 2.099 178.210 176.117 -0.011 0.000 1.085 127 I CA 1.590 62.858 61.300 -0.054 0.000 1.347 127 I CB -0.653 37.322 38.000 -0.041 0.000 1.044 127 I HN 0.310 nan 8.210 nan 0.000 0.408 128 D N 0.545 120.938 120.400 -0.011 0.000 2.117 128 D HA -0.173 4.467 4.640 0.001 0.000 0.197 128 D C 2.025 178.337 176.300 0.020 0.000 0.987 128 D CA 1.159 55.170 54.000 0.018 0.000 0.829 128 D CB -0.288 40.527 40.800 0.024 0.000 0.961 128 D HN 0.183 nan 8.370 nan 0.000 0.460 129 L N 0.487 121.721 121.223 0.018 0.000 2.056 129 L HA -0.063 4.277 4.340 0.001 0.000 0.207 129 L C 2.198 179.078 176.870 0.018 0.000 1.078 129 L CA 1.147 56.005 54.840 0.030 0.000 0.749 129 L CB -0.443 41.660 42.059 0.072 0.000 0.901 129 L HN -0.003 nan 8.230 nan 0.000 0.433 130 L N -1.258 119.977 121.223 0.019 0.000 1.989 130 L HA -0.285 4.055 4.340 0.001 0.000 0.211 130 L C 2.496 179.394 176.870 0.047 0.000 1.071 130 L CA 1.624 56.489 54.840 0.041 0.000 0.749 130 L CB -0.672 41.443 42.059 0.092 0.000 0.890 130 L HN 0.270 nan 8.230 nan 0.000 0.431 131 L N -0.396 120.854 121.223 0.046 0.000 2.083 131 L HA -0.227 4.113 4.340 0.001 0.000 0.209 131 L C 2.660 179.551 176.870 0.035 0.000 1.083 131 L CA 1.440 56.307 54.840 0.044 0.000 0.752 131 L CB -0.575 41.510 42.059 0.042 0.000 0.899 131 L HN 0.407 nan 8.230 nan 0.000 0.433 132 E N 0.663 120.880 120.200 0.028 0.000 2.204 132 E HA -0.218 4.132 4.350 0.001 0.000 0.194 132 E C 1.095 177.705 176.600 0.016 0.000 0.989 132 E CA 1.308 57.721 56.400 0.021 0.000 0.824 132 E CB 0.025 29.735 29.700 0.018 0.000 0.756 132 E HN 0.518 nan 8.360 nan 0.000 0.477 133 N N -0.406 118.304 118.700 0.016 0.000 2.268 133 N HA 0.155 4.895 4.740 0.001 0.000 0.204 133 N C 0.284 175.807 175.510 0.021 0.000 1.124 133 N CA 0.561 53.617 53.050 0.010 0.000 0.838 133 N CB 1.209 39.694 38.487 -0.004 0.000 0.994 133 N HN 0.280 nan 8.380 nan 0.000 0.489 134 G N 0.845 109.664 108.800 0.032 0.000 2.225 134 G HA2 -0.287 3.673 3.960 0.001 0.000 0.267 134 G HA3 -0.287 3.673 3.960 0.001 0.000 0.267 134 G C -0.152 174.783 174.900 0.058 0.000 1.024 134 G CA 0.027 45.153 45.100 0.043 0.000 0.784 134 G HN 0.323 nan 8.290 nan 0.000 0.507 135 I N 0.079 120.690 120.570 0.069 0.000 2.336 135 I HA 0.386 4.556 4.170 0.001 0.000 0.292 135 I C 0.340 176.541 176.117 0.140 0.000 0.991 135 I CA -0.915 60.447 61.300 0.103 0.000 1.227 135 I CB 1.621 39.679 38.000 0.096 0.000 1.366 135 I HN 0.103 nan 8.210 nan 0.000 0.466 136 E N 9.198 129.500 120.200 0.171 0.000 2.223 136 E HA 0.267 4.618 4.350 0.001 0.000 0.282 136 E C -2.376 174.385 176.600 0.268 0.000 1.046 136 E CA -1.841 54.674 56.400 0.190 0.000 0.857 136 E CB 0.771 30.611 29.700 0.232 0.000 1.055 136 E HN 0.173 nan 8.360 nan 0.000 0.409 137 P HA 0.077 nan 4.420 nan 0.000 0.281 137 P C -1.298 175.934 177.300 -0.113 0.000 1.252 137 P CA -0.102 63.069 63.100 0.117 0.000 0.778 137 P CB 0.319 32.052 31.700 0.056 0.000 0.895 138 Y N 2.875 122.968 120.300 -0.346 0.000 2.388 138 Y HA 0.393 4.943 4.550 0.000 0.000 0.328 138 Y C 0.532 175.970 175.900 -0.770 0.000 0.963 138 Y CA -0.494 57.294 58.100 -0.519 0.000 1.240 138 Y CB 0.871 39.038 38.460 -0.488 0.000 1.118 138 Y HN 0.210 nan 8.280 nan 0.000 0.484 139 I N 3.757 123.820 120.570 -0.844 0.000 2.321 139 I HA 0.232 4.402 4.170 0.001 0.000 0.291 139 I C -0.037 175.777 176.117 -0.506 0.000 0.998 139 I CA -0.465 60.263 61.300 -0.954 0.000 1.227 139 I CB 1.327 38.611 38.000 -1.192 0.000 1.368 139 I HN 0.463 nan 8.210 nan 0.000 0.466 140 T N 7.035 121.340 114.554 -0.415 0.000 2.749 140 T HA 0.330 4.680 4.350 0.001 0.000 0.295 140 T C 1.485 176.122 174.700 -0.106 0.000 0.936 140 T CA -0.238 61.754 62.100 -0.180 0.000 1.060 140 T CB 1.188 69.996 68.868 -0.100 0.000 0.904 140 T HN 0.383 nan 8.240 nan 0.000 0.500 141 I N 1.735 122.275 120.570 -0.050 0.000 2.286 141 I HA 0.054 4.224 4.170 0.001 0.000 0.245 141 I C 0.540 176.784 176.117 0.212 0.000 1.104 141 I CA 1.142 62.396 61.300 -0.078 0.000 1.397 141 I CB 0.118 37.928 38.000 -0.317 0.000 1.072 141 I HN 0.472 nan 8.210 nan 0.000 0.417 142 F N 0.008 119.974 119.950 0.027 0.000 2.507 142 F HA 0.374 4.902 4.527 0.001 0.000 0.328 142 F C -0.187 175.691 175.800 0.130 0.000 1.136 142 F CA -0.770 57.345 58.000 0.192 0.000 0.930 142 F CB 0.843 39.975 39.000 0.220 0.000 1.166 142 F HN -0.084 nan 8.300 nan 0.000 0.436 143 H N 6.498 125.228 119.070 -0.567 0.000 2.535 143 H HA 0.231 4.787 4.556 0.001 0.000 0.232 143 H C -0.815 174.080 175.328 -0.722 0.000 1.405 143 H CA -0.186 55.474 56.048 -0.647 0.000 1.224 143 H CB 0.036 29.569 29.762 -0.382 0.000 1.763 143 H HN 0.766 nan 8.280 nan 0.000 0.529 144 W N 0.043 120.492 121.300 -1.417 0.000 1.440 144 W HA -0.224 4.437 4.660 0.001 0.000 0.242 144 W C -0.372 176.062 176.519 -0.141 0.000 0.991 144 W CA 0.790 57.667 57.345 -0.779 0.000 0.407 144 W CB -2.131 27.163 29.460 -0.277 0.000 1.999 144 W HN 0.581 nan 8.180 nan 0.000 1.219 145 D N 0.722 121.135 120.400 0.022 0.000 2.896 145 D HA 0.299 4.940 4.640 0.001 0.000 0.240 145 D C 0.321 176.890 176.300 0.449 0.000 1.193 145 D CA -0.066 54.145 54.000 0.352 0.000 0.983 145 D CB -0.472 40.527 40.800 0.332 0.000 1.074 145 D HN -0.117 nan 8.370 nan 0.000 0.496 146 T N 1.943 116.850 114.554 0.588 0.000 2.902 146 T HA 0.144 4.495 4.350 0.001 0.000 0.301 146 T C -2.283 172.425 174.700 0.013 0.000 1.012 146 T CA -0.802 61.545 62.100 0.412 0.000 1.151 146 T CB 0.619 69.796 68.868 0.515 0.000 0.946 146 T HN 0.149 nan 8.240 nan 0.000 0.542 147 P HA 0.055 nan 4.420 nan 0.000 0.260 147 P C 0.549 177.735 177.300 -0.190 0.000 1.185 147 P CA 0.041 62.951 63.100 -0.318 0.000 0.763 147 P CB 0.482 31.821 31.700 -0.603 0.000 0.776 148 Q N 5.252 125.015 119.800 -0.061 0.000 2.226 148 Q HA -0.189 4.152 4.340 0.001 0.000 0.204 148 Q C 1.892 177.841 176.000 -0.085 0.000 0.975 148 Q CA 2.122 57.913 55.803 -0.019 0.000 0.866 148 Q CB -0.970 27.796 28.738 0.048 0.000 0.915 148 Q HN 0.490 nan 8.270 nan 0.000 0.440 149 A N 0.066 122.815 122.820 -0.118 0.000 1.978 149 A HA -0.147 4.173 4.320 0.001 0.000 0.220 149 A C 1.981 179.428 177.584 -0.228 0.000 1.170 149 A CA 1.471 53.427 52.037 -0.135 0.000 0.636 149 A CB -0.651 18.285 19.000 -0.107 0.000 0.810 149 A HN 0.474 nan 8.150 nan 0.000 0.448 150 L N -0.878 120.143 121.223 -0.337 0.000 2.179 150 L HA -0.090 4.251 4.340 0.001 0.000 0.208 150 L C 2.410 178.891 176.870 -0.648 0.000 1.096 150 L CA 0.556 55.030 54.840 -0.611 0.000 0.779 150 L CB -0.480 41.221 42.059 -0.597 0.000 0.922 150 L HN 0.226 nan 8.230 nan 0.000 0.443 151 V N -0.102 119.627 119.914 -0.309 0.000 2.307 151 V HA -0.262 3.858 4.120 0.001 0.000 0.245 151 V C 2.123 178.138 176.094 -0.132 0.000 1.045 151 V CA 1.822 64.026 62.300 -0.160 0.000 1.024 151 V CB -0.478 31.331 31.823 -0.024 0.000 0.651 151 V HN 0.412 nan 8.190 nan 0.000 0.449 152 D N 0.677 121.010 120.400 -0.112 0.000 2.123 152 D HA -0.170 4.470 4.640 0.001 0.000 0.196 152 D C 2.196 178.446 176.300 -0.083 0.000 0.992 152 D CA 1.823 55.781 54.000 -0.069 0.000 0.833 152 D CB -0.354 40.410 40.800 -0.059 0.000 0.954 152 D HN 0.463 nan 8.370 nan 0.000 0.455 153 A N 0.047 122.766 122.820 -0.169 0.000 1.897 153 A HA -0.124 4.197 4.320 0.001 0.000 0.215 153 A C 1.305 178.902 177.584 0.021 0.000 1.181 153 A CA 1.697 53.675 52.037 -0.097 0.000 0.620 153 A CB -0.435 18.495 19.000 -0.116 0.000 0.821 153 A HN 0.482 nan 8.150 nan 0.000 0.443 154 Y N -5.229 115.076 120.300 0.007 0.000 2.957 154 Y HA 0.472 5.022 4.550 0.001 0.000 0.274 154 Y C 0.716 176.625 175.900 0.015 0.000 1.065 154 Y CA -0.478 57.627 58.100 0.009 0.000 1.273 154 Y CB -0.498 37.964 38.460 0.004 0.000 1.358 154 Y HN 0.741 nan 8.280 nan 0.000 0.585 155 G N 0.401 109.211 108.800 0.016 0.000 2.143 155 G HA2 0.097 4.057 3.960 0.001 0.000 0.249 155 G HA3 0.097 4.057 3.960 0.001 0.000 0.249 155 G C 1.372 176.336 174.900 0.107 0.000 0.981 155 G CA 0.567 45.711 45.100 0.072 0.000 0.665 155 G HN 1.675 nan 8.290 nan 0.000 0.528 156 G N -0.303 108.478 108.800 -0.032 0.000 2.622 156 G HA2 -0.254 3.706 3.960 0.001 0.000 0.307 156 G HA3 -0.254 3.706 3.960 0.001 0.000 0.307 156 G C 0.864 175.901 174.900 0.229 0.000 1.226 156 G CA 0.855 45.986 45.100 0.052 0.000 0.997 156 G HN 1.021 nan 8.290 nan 0.000 0.551 157 F N 1.191 121.251 119.950 0.183 0.000 2.583 157 F HA 0.174 4.702 4.527 0.001 0.000 0.297 157 F C 2.615 178.409 175.800 -0.011 0.000 1.131 157 F CA 1.088 59.152 58.000 0.106 0.000 1.467 157 F CB -0.128 38.930 39.000 0.096 0.000 1.097 157 F HN 0.179 nan 8.300 nan 0.000 0.586 158 L N -1.138 120.165 121.223 0.133 0.000 2.552 158 L HA -0.041 4.299 4.340 0.001 0.000 0.227 158 L C 0.530 177.440 176.870 0.067 0.000 1.146 158 L CA 0.659 55.522 54.840 0.040 0.000 0.858 158 L CB -0.217 41.871 42.059 0.049 0.000 0.969 158 L HN 0.012 nan 8.230 nan 0.000 0.451 159 D N -0.287 120.178 120.400 0.109 0.000 2.619 159 D HA 0.055 4.695 4.640 0.001 0.000 0.241 159 D C 0.476 176.745 176.300 -0.051 0.000 1.087 159 D CA -0.259 53.762 54.000 0.036 0.000 0.851 159 D CB 1.939 42.779 40.800 0.067 0.000 1.474 159 D HN 0.214 nan 8.370 nan 0.000 0.478 160 E N 2.123 122.282 120.200 -0.068 0.000 2.409 160 E HA -0.139 4.212 4.350 0.001 0.000 0.198 160 E C 1.245 177.752 176.600 -0.155 0.000 1.024 160 E CA 0.585 56.947 56.400 -0.063 0.000 0.861 160 E CB 0.056 29.748 29.700 -0.013 0.000 0.788 160 E HN 0.306 nan 8.360 nan 0.000 0.521 161 R N 0.176 120.463 120.500 -0.355 0.000 2.159 161 R HA -0.116 4.225 4.340 0.001 0.000 0.237 161 R C 2.122 178.198 176.300 -0.375 0.000 1.131 161 R CA 1.196 56.963 56.100 -0.555 0.000 0.982 161 R CB -0.407 29.139 30.300 -1.258 0.000 0.868 161 R HN 0.246 nan 8.270 nan 0.000 0.453 162 I N 0.780 121.216 120.570 -0.223 0.000 2.454 162 I HA -0.240 3.931 4.170 0.001 0.000 0.254 162 I C 1.664 177.813 176.117 0.053 0.000 1.156 162 I CA 1.333 62.636 61.300 0.004 0.000 1.433 162 I CB 0.064 37.901 38.000 -0.273 0.000 1.082 162 I HN 0.121 nan 8.210 nan 0.000 0.432 163 I N 0.114 120.695 120.570 0.018 0.000 2.163 163 I HA -0.299 3.871 4.170 0.001 0.000 0.240 163 I C 2.445 178.645 176.117 0.138 0.000 1.081 163 I CA 1.476 62.831 61.300 0.092 0.000 1.353 163 I CB -0.490 37.548 38.000 0.064 0.000 1.054 163 I HN 0.128 nan 8.210 nan 0.000 0.407 164 K N 1.174 121.625 120.400 0.084 0.000 2.097 164 K HA -0.200 4.121 4.320 0.001 0.000 0.206 164 K C 1.630 178.307 176.600 0.128 0.000 1.049 164 K CA 1.750 58.089 56.287 0.086 0.000 0.933 164 K CB -0.252 32.276 32.500 0.047 0.000 0.717 164 K HN 0.218 nan 8.250 nan 0.000 0.442 165 D N -0.769 119.754 120.400 0.206 0.000 2.117 165 D HA -0.162 4.479 4.640 0.001 0.000 0.198 165 D C 1.738 178.229 176.300 0.317 0.000 0.982 165 D CA 1.065 55.264 54.000 0.332 0.000 0.828 165 D CB -0.330 40.759 40.800 0.480 0.000 0.967 165 D HN 0.302 nan 8.370 nan 0.000 0.464 166 Y N 1.857 122.247 120.300 0.150 0.000 2.145 166 Y HA -0.262 4.288 4.550 0.001 0.000 0.286 166 Y C 2.531 178.298 175.900 -0.222 0.000 1.145 166 Y CA 2.542 60.496 58.100 -0.243 0.000 1.148 166 Y CB -0.525 37.888 38.460 -0.079 0.000 0.981 166 Y HN 0.029 nan 8.280 nan 0.000 0.507 167 T N -2.636 111.916 114.554 -0.004 0.000 2.867 167 T HA -0.156 4.194 4.350 0.001 0.000 0.268 167 T C 1.547 176.108 174.700 -0.232 0.000 1.057 167 T CA 1.456 63.484 62.100 -0.119 0.000 1.136 167 T CB -0.509 68.391 68.868 0.053 0.000 0.874 167 T HN 0.282 nan 8.240 nan 0.000 0.466 168 D N 0.651 120.975 120.400 -0.126 0.000 2.117 168 D HA -0.026 4.614 4.640 0.001 0.000 0.197 168 D C 1.558 177.733 176.300 -0.208 0.000 0.987 168 D CA 0.767 54.700 54.000 -0.111 0.000 0.829 168 D CB -0.550 40.255 40.800 0.008 0.000 0.961 168 D HN 0.429 nan 8.370 nan 0.000 0.460 169 F N 1.797 121.447 119.950 -0.500 0.000 2.102 169 F HA -0.113 4.415 4.527 0.001 0.000 0.298 169 F C 2.148 177.464 175.800 -0.805 0.000 1.105 169 F CA 1.496 59.084 58.000 -0.688 0.000 1.239 169 F CB -0.734 37.496 39.000 -1.282 0.000 0.991 169 F HN -0.054 nan 8.300 nan 0.000 0.474 170 A N 0.659 122.683 122.820 -1.326 0.000 1.908 170 A HA -0.282 4.039 4.320 0.001 0.000 0.218 170 A C 2.387 179.032 177.584 -1.566 0.000 1.181 170 A CA 2.135 53.194 52.037 -1.630 0.000 0.627 170 A CB -1.016 17.152 19.000 -1.387 0.000 0.818 170 A HN 0.542 nan 8.150 nan 0.000 0.445 171 K N -0.261 119.615 120.400 -0.873 0.000 2.057 171 K HA -0.099 4.221 4.320 0.001 0.000 0.207 171 K C 1.760 178.077 176.600 -0.472 0.000 1.049 171 K CA 1.631 57.619 56.287 -0.499 0.000 0.931 171 K CB -0.329 32.054 32.500 -0.195 0.000 0.714 171 K HN 0.206 nan 8.250 nan 0.000 0.440 172 V N 1.242 120.891 119.914 -0.441 0.000 2.287 172 V HA -0.362 3.759 4.120 0.001 0.000 0.248 172 V C 2.582 178.384 176.094 -0.487 0.000 1.053 172 V CA 1.945 64.036 62.300 -0.348 0.000 1.027 172 V CB -0.584 31.122 31.823 -0.194 0.000 0.646 172 V HN 0.550 nan 8.190 nan 0.000 0.447 173 C N -0.432 118.465 119.300 -0.673 0.000 2.413 173 C HA -0.153 4.307 4.460 0.001 0.000 0.276 173 C C 2.518 177.288 174.990 -0.367 0.000 1.236 173 C CA 0.766 59.476 59.018 -0.515 0.000 1.735 173 C CB -1.313 26.039 27.740 -0.647 0.000 2.031 173 C HN 0.534 nan 8.230 nan 0.000 0.474 174 F N 1.355 120.909 119.950 -0.660 0.000 2.134 174 F HA -0.084 4.443 4.527 0.001 0.000 0.299 174 F C 2.390 177.946 175.800 -0.407 0.000 1.097 174 F CA 1.412 58.985 58.000 -0.712 0.000 1.264 174 F CB -1.300 36.949 39.000 -1.253 0.000 1.001 174 F HN 0.372 nan 8.300 nan 0.000 0.479 175 E N -0.185 119.901 120.200 -0.191 0.000 2.107 175 E HA -0.131 4.220 4.350 0.001 0.000 0.191 175 E C 2.139 178.677 176.600 -0.104 0.000 0.982 175 E CA 0.751 57.117 56.400 -0.057 0.000 0.809 175 E CB 0.003 29.671 29.700 -0.054 0.000 0.756 175 E HN 0.127 nan 8.360 nan 0.000 0.459 176 K N 0.060 120.283 120.400 -0.295 0.000 2.116 176 K HA -0.025 4.296 4.320 0.001 0.000 0.203 176 K C 1.742 178.137 176.600 -0.341 0.000 1.052 176 K CA 0.933 56.968 56.287 -0.421 0.000 0.952 176 K CB -0.075 31.975 32.500 -0.750 0.000 0.729 176 K HN 0.132 nan 8.250 nan 0.000 0.446 177 F N 0.293 120.326 119.950 0.139 0.000 2.530 177 F HA 0.223 4.750 4.527 0.001 0.000 0.292 177 F C 1.548 177.465 175.800 0.195 0.000 1.109 177 F CA 0.326 58.439 58.000 0.188 0.000 1.450 177 F CB -0.718 38.440 39.000 0.263 0.000 1.114 177 F HN 0.169 nan 8.300 nan 0.000 0.560 178 G N 0.697 109.688 108.800 0.319 0.000 2.698 178 G HA2 -0.323 3.637 3.960 0.001 0.000 0.233 178 G HA3 -0.323 3.637 3.960 0.001 0.000 0.233 178 G C 0.633 175.710 174.900 0.295 0.000 1.352 178 G CA -0.005 45.244 45.100 0.248 0.000 0.879 178 G HN 0.286 nan 8.290 nan 0.000 0.567 179 K N 0.103 120.627 120.400 0.206 0.000 2.487 179 K HA 0.133 4.454 4.320 0.001 0.000 0.192 179 K C 2.343 179.034 176.600 0.152 0.000 1.027 179 K CA 0.593 56.992 56.287 0.187 0.000 1.054 179 K CB 0.056 32.625 32.500 0.114 0.000 0.824 179 K HN 0.441 nan 8.250 nan 0.000 0.510 180 K N 0.671 121.160 120.400 0.149 0.000 2.107 180 K HA -0.139 4.182 4.320 0.001 0.000 0.211 180 K C 0.258 176.895 176.600 0.061 0.000 1.049 180 K CA 1.033 57.384 56.287 0.107 0.000 0.927 180 K CB 0.072 32.649 32.500 0.128 0.000 0.714 180 K HN -0.054 nan 8.250 nan 0.000 0.452 181 V N 1.652 121.612 119.914 0.076 0.000 2.383 181 V HA 0.099 4.219 4.120 0.001 0.000 0.275 181 V C 0.339 176.392 176.094 -0.069 0.000 1.036 181 V CA -0.076 62.143 62.300 -0.136 0.000 0.889 181 V CB 1.495 33.068 31.823 -0.418 0.000 0.985 181 V HN 0.176 nan 8.190 nan 0.000 0.459 182 K N 3.096 123.384 120.400 -0.187 0.000 2.438 182 K HA 0.340 4.660 4.320 0.001 0.000 0.205 182 K C -0.167 176.303 176.600 -0.216 0.000 1.033 182 K CA -0.123 56.131 56.287 -0.055 0.000 1.089 182 K CB 0.433 32.919 32.500 -0.024 0.000 0.857 182 K HN 0.537 nan 8.250 nan 0.000 0.522 183 N N 0.365 118.699 118.700 -0.609 0.000 2.519 183 N HA 0.202 4.943 4.740 0.001 0.000 0.286 183 N C -1.635 173.356 175.510 -0.866 0.000 1.079 183 N CA -0.332 52.248 53.050 -0.783 0.000 0.878 183 N CB 1.146 38.720 38.487 -1.522 0.000 1.375 183 N HN 0.002 nan 8.380 nan 0.000 0.514 184 W N 2.093 123.137 121.300 -0.427 0.000 2.819 184 W HA 0.611 5.271 4.660 0.001 0.000 0.337 184 W C -0.448 175.912 176.519 -0.265 0.000 1.077 184 W CA -0.623 56.514 57.345 -0.347 0.000 1.226 184 W CB 1.608 30.854 29.460 -0.357 0.000 1.419 184 W HN 0.140 nan 8.180 nan 0.000 0.502 185 L N 2.456 123.699 121.223 0.034 0.000 2.376 185 L HA 0.334 4.674 4.340 0.001 0.000 0.275 185 L C 1.241 178.130 176.870 0.032 0.000 0.987 185 L CA -0.562 54.291 54.840 0.021 0.000 0.828 185 L CB 2.081 44.110 42.059 -0.049 0.000 1.249 185 L HN 0.683 nan 8.230 nan 0.000 0.409 186 T N -0.455 114.148 114.554 0.082 0.000 2.737 186 T HA 0.048 4.399 4.350 0.001 0.000 0.265 186 T C 0.377 174.846 174.700 -0.385 0.000 1.038 186 T CA 1.131 63.197 62.100 -0.055 0.000 1.144 186 T CB -0.088 68.899 68.868 0.198 0.000 0.866 186 T HN 0.155 nan 8.240 nan 0.000 0.434 187 F N 1.112 121.130 119.950 0.113 0.000 2.588 187 F HA 0.560 5.087 4.527 0.001 0.000 0.310 187 F C -0.314 175.444 175.800 -0.071 0.000 1.082 187 F CA -1.523 56.507 58.000 0.050 0.000 0.929 187 F CB 1.861 40.817 39.000 -0.073 0.000 1.254 187 F HN 0.010 nan 8.300 nan 0.000 0.455 188 N N 1.326 120.048 118.700 0.038 0.000 2.408 188 N HA 0.256 4.996 4.740 0.001 0.000 0.280 188 N C -1.066 174.387 175.510 -0.095 0.000 1.002 188 N CA -0.249 52.683 53.050 -0.196 0.000 0.907 188 N CB 0.731 38.822 38.487 -0.660 0.000 1.161 188 N HN 0.647 nan 8.380 nan 0.000 0.488 189 E N 1.795 121.934 120.200 -0.103 0.000 2.197 189 E HA -0.175 4.175 4.350 0.001 0.000 0.184 189 E C -1.721 174.808 176.600 -0.118 0.000 1.439 189 E CA 0.023 56.394 56.400 -0.049 0.000 0.688 189 E CB -0.598 29.173 29.700 0.118 0.000 1.090 189 E HN 0.665 nan 8.360 nan 0.000 0.341 190 P HA -0.231 nan 4.420 nan 0.000 0.216 190 P C 1.353 178.176 177.300 -0.795 0.000 1.150 190 P CA 1.140 63.754 63.100 -0.810 0.000 0.837 190 P CB 0.187 30.852 31.700 -1.725 0.000 0.786 191 E N -0.094 119.733 120.200 -0.623 0.000 2.051 191 E HA -0.126 4.225 4.350 0.001 0.000 0.192 191 E C 1.821 178.366 176.600 -0.093 0.000 0.991 191 E CA 1.644 57.974 56.400 -0.118 0.000 0.799 191 E CB -0.699 29.133 29.700 0.221 0.000 0.748 191 E HN 0.126 nan 8.360 nan 0.000 0.449 192 T N 1.144 115.631 114.554 -0.112 0.000 2.708 192 T HA -0.157 4.193 4.350 0.001 0.000 0.266 192 T C 1.543 175.978 174.700 -0.442 0.000 1.037 192 T CA 1.370 63.351 62.100 -0.198 0.000 1.146 192 T CB -0.574 68.221 68.868 -0.123 0.000 0.865 192 T HN 0.208 nan 8.240 nan 0.000 0.435 193 F N 1.548 121.074 119.950 -0.707 0.000 2.091 193 F HA -0.217 4.311 4.527 0.001 0.000 0.299 193 F C 2.412 177.921 175.800 -0.485 0.000 1.103 193 F CA 0.785 58.245 58.000 -0.900 0.000 1.228 193 F CB -0.875 37.681 39.000 -0.741 0.000 0.984 193 F HN 0.200 nan 8.300 nan 0.000 0.477 194 C N -0.824 118.209 119.300 -0.445 0.000 2.489 194 C HA -0.071 4.389 4.460 0.001 0.000 0.279 194 C C 3.013 177.886 174.990 -0.195 0.000 1.266 194 C CA 1.356 60.158 59.018 -0.361 0.000 1.707 194 C CB -1.235 26.324 27.740 -0.302 0.000 2.059 194 C HN 0.523 nan 8.230 nan 0.000 0.481 195 S N 0.644 116.275 115.700 -0.116 0.000 2.387 195 S HA -0.077 4.393 4.470 0.001 0.000 0.226 195 S C 1.716 176.196 174.600 -0.200 0.000 1.026 195 S CA 1.299 59.454 58.200 -0.075 0.000 0.972 195 S CB -0.120 63.091 63.200 0.019 0.000 0.814 195 S HN 0.491 nan 8.310 nan 0.000 0.477 196 V N 0.635 120.366 119.914 -0.306 0.000 3.431 196 V HA 0.115 4.236 4.120 0.001 0.000 0.253 196 V C 1.815 177.610 176.094 -0.498 0.000 1.184 196 V CA 0.874 62.955 62.300 -0.365 0.000 1.104 196 V CB 0.080 31.681 31.823 -0.369 0.000 0.799 196 V HN 0.346 nan 8.190 nan 0.000 0.462 197 S N -0.951 114.367 115.700 -0.636 0.000 2.458 197 S HA 0.082 4.553 4.470 0.001 0.000 0.223 197 S C 1.337 175.331 174.600 -1.011 0.000 1.019 197 S CA 0.706 58.370 58.200 -0.894 0.000 0.937 197 S CB -0.092 62.429 63.200 -1.132 0.000 0.788 197 S HN 0.674 nan 8.310 nan 0.000 0.511 198 Y N 0.262 120.260 120.300 -0.503 0.000 2.527 198 Y HA 0.426 4.977 4.550 0.001 0.000 0.247 198 Y C 1.896 177.621 175.900 -0.291 0.000 1.138 198 Y CA -0.251 57.620 58.100 -0.383 0.000 1.228 198 Y CB 0.383 38.628 38.460 -0.359 0.000 1.252 198 Y HN 0.274 nan 8.280 nan 0.000 0.531 199 G N -0.301 108.391 108.800 -0.181 0.000 2.797 199 G HA2 -0.069 3.892 3.960 0.001 0.000 0.211 199 G HA3 -0.069 3.892 3.960 0.001 0.000 0.211 199 G C 1.566 176.353 174.900 -0.189 0.000 1.236 199 G CA 0.839 45.844 45.100 -0.160 0.000 0.833 199 G HN 0.241 nan 8.290 nan 0.000 0.624 200 T N -1.775 112.652 114.554 -0.211 0.000 3.067 200 T HA 0.322 4.672 4.350 0.001 0.000 0.261 200 T C 1.948 176.494 174.700 -0.257 0.000 1.110 200 T CA 1.186 63.165 62.100 -0.201 0.000 1.113 200 T CB -0.075 68.687 68.868 -0.176 0.000 0.917 200 T HN 1.543 nan 8.240 nan 0.000 0.499 201 G N 0.684 109.276 108.800 -0.347 0.000 2.179 201 G HA2 -0.276 3.685 3.960 0.001 0.000 0.257 201 G HA3 -0.276 3.685 3.960 0.001 0.000 0.257 201 G C 0.811 175.439 174.900 -0.452 0.000 1.010 201 G CA 0.323 45.143 45.100 -0.466 0.000 0.736 201 G HN 0.552 nan 8.290 nan 0.000 0.513 202 V N -0.421 119.294 119.914 -0.332 0.000 2.548 202 V HA 0.136 4.256 4.120 0.001 0.000 0.249 202 V C 1.745 177.698 176.094 -0.235 0.000 1.055 202 V CA 1.762 63.955 62.300 -0.179 0.000 1.065 202 V CB -0.185 31.579 31.823 -0.098 0.000 0.681 202 V HN 0.455 nan 8.190 nan 0.000 0.462 203 L N -0.088 120.860 121.223 -0.459 0.000 2.344 203 L HA 0.661 5.002 4.340 0.001 0.000 0.272 203 L C 0.501 176.599 176.870 -1.288 0.000 1.035 203 L CA -0.671 53.813 54.840 -0.593 0.000 0.807 203 L CB 1.094 42.901 42.059 -0.420 0.000 1.237 203 L HN 0.115 nan 8.230 nan 0.000 0.442 204 A N 3.173 124.726 122.820 -2.112 0.000 2.565 204 A HA 0.162 4.483 4.320 0.001 0.000 0.237 204 A C -1.563 175.278 177.584 -1.238 0.000 1.053 204 A CA -0.615 50.149 52.037 -2.122 0.000 0.755 204 A CB -0.374 17.174 19.000 -2.420 0.000 0.980 204 A HN 0.641 nan 8.150 nan 0.000 0.506 205 P HA 0.088 nan 4.420 nan 0.000 0.245 205 P C 0.771 177.542 177.300 -0.881 0.000 1.212 205 P CA 1.021 63.615 63.100 -0.843 0.000 0.774 205 P CB -0.022 31.357 31.700 -0.535 0.000 0.999 206 G N 0.587 108.747 108.800 -1.067 0.000 2.212 206 G HA2 -0.249 3.712 3.960 0.001 0.000 0.255 206 G HA3 -0.249 3.712 3.960 0.001 0.000 0.255 206 G C -0.125 174.365 174.900 -0.683 0.000 1.062 206 G CA -0.496 44.087 45.100 -0.862 0.000 0.815 206 G HN 0.355 nan 8.290 nan 0.000 0.497 207 R N -0.605 119.498 120.500 -0.660 0.000 2.428 207 R HA 0.758 5.098 4.340 0.001 0.000 0.294 207 R C 0.675 176.763 176.300 -0.354 0.000 1.000 207 R CA 0.197 56.023 56.100 -0.457 0.000 0.960 207 R CB 1.263 31.345 30.300 -0.363 0.000 1.076 207 R HN 0.863 nan 8.270 nan 0.000 0.475 208 c N -1.444 116.998 118.600 -0.263 0.000 3.295 208 c HA 0.495 5.066 4.570 0.001 0.000 0.341 208 c C -0.041 173.962 174.090 -0.144 0.000 1.418 208 c CA -1.152 55.058 56.329 -0.199 0.000 1.240 208 c CB 1.299 43.678 42.510 -0.220 0.000 1.562 208 c HN 0.720 nan 8.230 nan 0.000 0.457 209 S N 2.408 118.041 115.700 -0.113 0.000 2.568 209 S HA 0.368 4.838 4.470 0.001 0.000 0.282 209 S C -2.456 172.094 174.600 -0.084 0.000 1.338 209 S CA 0.137 58.285 58.200 -0.087 0.000 1.045 209 S CB -0.025 63.130 63.200 -0.075 0.000 0.873 209 S HN 0.721 nan 8.310 nan 0.000 0.516 210 P HA 0.106 nan 4.420 nan 0.000 0.261 210 P C 0.921 178.191 177.300 -0.049 0.000 1.173 210 P CA 1.198 64.265 63.100 -0.055 0.000 0.760 210 P CB 0.106 31.780 31.700 -0.042 0.000 0.783 211 G N 0.957 109.732 108.800 -0.041 0.000 2.195 211 G HA2 -0.196 3.765 3.960 0.001 0.000 0.246 211 G HA3 -0.196 3.765 3.960 0.001 0.000 0.246 211 G C 0.040 174.917 174.900 -0.037 0.000 0.984 211 G CA -0.114 44.967 45.100 -0.033 0.000 0.633 211 G HN 0.530 nan 8.290 nan 0.000 0.525 212 V N 0.969 120.850 119.914 -0.056 0.000 2.617 212 V HA 0.708 4.828 4.120 0.001 0.000 0.298 212 V C 0.874 176.935 176.094 -0.054 0.000 1.048 212 V CA 0.183 62.446 62.300 -0.062 0.000 0.964 212 V CB 1.808 33.574 31.823 -0.095 0.000 1.004 212 V HN 0.456 nan 8.190 nan 0.000 0.466 213 S N 3.567 119.258 115.700 -0.015 0.000 2.411 213 S HA 0.467 4.937 4.470 0.001 0.000 0.304 213 S C -0.333 174.252 174.600 -0.026 0.000 1.098 213 S CA -0.416 57.826 58.200 0.070 0.000 1.068 213 S CB -0.720 62.574 63.200 0.156 0.000 1.032 213 S HN 1.067 nan 8.310 nan 0.000 0.511 214 c N 2.638 121.064 118.600 -0.290 0.000 3.320 214 c HA 0.858 5.429 4.570 0.001 0.000 0.335 214 c C 1.647 174.993 174.090 -1.241 0.000 1.430 214 c CA -0.213 55.588 56.329 -0.880 0.000 1.271 214 c CB 0.792 42.954 42.510 -0.579 0.000 1.609 214 c HN 0.708 nan 8.230 nan 0.000 0.457 215 A N 0.301 122.062 122.820 -1.765 0.000 1.933 215 A HA 0.205 4.526 4.320 0.001 0.000 0.218 215 A C 0.913 177.927 177.584 -0.951 0.000 1.175 215 A CA 2.206 53.267 52.037 -1.626 0.000 0.628 215 A CB -0.549 17.281 19.000 -1.950 0.000 0.814 215 A HN 1.498 nan 8.150 nan 0.000 0.444 216 V N 0.945 120.425 119.914 -0.722 0.000 2.320 216 V HA 0.217 4.338 4.120 0.001 0.000 0.257 216 V C -2.508 173.400 176.094 -0.311 0.000 0.996 216 V CA -0.887 61.147 62.300 -0.443 0.000 0.928 216 V CB 1.118 32.695 31.823 -0.411 0.000 1.169 216 V HN 0.313 nan 8.190 nan 0.000 0.475 217 P HA 0.119 nan 4.420 nan 0.000 0.226 217 P C 0.726 177.955 177.300 -0.118 0.000 1.758 217 P CA 0.241 63.235 63.100 -0.176 0.000 0.896 217 P CB -0.317 31.303 31.700 -0.134 0.000 1.784 218 T N -4.290 110.194 114.554 -0.116 0.000 3.296 218 T HA 0.457 4.808 4.350 0.001 0.000 0.285 218 T C 0.824 175.483 174.700 -0.067 0.000 1.014 218 T CA -0.298 61.757 62.100 -0.075 0.000 0.920 218 T CB 0.271 69.106 68.868 -0.055 0.000 1.143 218 T HN 0.069 nan 8.240 nan 0.000 0.522 219 G N 1.202 109.952 108.800 -0.083 0.000 3.271 219 G HA2 0.546 4.507 3.960 0.001 0.000 0.174 219 G HA3 0.546 4.507 3.960 0.001 0.000 0.174 219 G C -0.773 174.095 174.900 -0.052 0.000 1.385 219 G CA -0.648 44.417 45.100 -0.057 0.000 0.979 219 G HN 0.419 nan 8.290 nan 0.000 0.610 220 N N -1.026 117.647 118.700 -0.046 0.000 2.812 220 N HA 0.117 4.857 4.740 0.001 0.000 0.262 220 N C 0.365 175.850 175.510 -0.043 0.000 1.241 220 N CA -0.306 52.717 53.050 -0.044 0.000 0.854 220 N CB 1.427 39.895 38.487 -0.032 0.000 1.506 220 N HN 0.105 nan 8.380 nan 0.000 0.576 221 S N 1.928 117.590 115.700 -0.063 0.000 2.474 221 S HA -0.037 4.434 4.470 0.001 0.000 0.235 221 S C 1.575 176.140 174.600 -0.058 0.000 0.997 221 S CA 0.397 58.552 58.200 -0.076 0.000 0.949 221 S CB 0.200 63.341 63.200 -0.099 0.000 0.766 221 S HN 0.461 nan 8.310 nan 0.000 0.517 222 L N 1.198 122.401 121.223 -0.032 0.000 2.307 222 L HA 0.147 4.488 4.340 0.001 0.000 0.211 222 L C 2.280 179.210 176.870 0.100 0.000 1.099 222 L CA 1.254 56.100 54.840 0.011 0.000 0.816 222 L CB -0.607 41.438 42.059 -0.022 0.000 0.952 222 L HN 0.410 nan 8.230 nan 0.000 0.455 223 S N -2.955 112.778 115.700 0.055 0.000 2.599 223 S HA 0.073 4.544 4.470 0.001 0.000 0.236 223 S C 1.597 176.242 174.600 0.075 0.000 1.077 223 S CA -0.229 58.019 58.200 0.081 0.000 0.906 223 S CB -0.152 63.046 63.200 -0.003 0.000 0.804 223 S HN 0.318 nan 8.310 nan 0.000 0.497 224 E N 2.416 122.621 120.200 0.007 0.000 2.110 224 E HA -0.038 4.312 4.350 0.001 0.000 0.193 224 E C -0.834 175.694 176.600 -0.120 0.000 0.988 224 E CA 1.321 57.688 56.400 -0.055 0.000 0.804 224 E CB -1.126 28.561 29.700 -0.022 0.000 0.745 224 E HN 0.486 nan 8.360 nan 0.000 0.458 225 P HA -0.166 nan 4.420 nan 0.000 0.216 225 P C 0.752 178.061 177.300 0.016 0.000 1.150 225 P CA 1.230 64.276 63.100 -0.090 0.000 0.837 225 P CB -0.084 31.560 31.700 -0.092 0.000 0.786 226 Y N -1.279 119.085 120.300 0.107 0.000 2.263 226 Y HA -0.116 4.434 4.550 0.001 0.000 0.292 226 Y C 2.306 178.232 175.900 0.042 0.000 1.130 226 Y CA 0.678 58.846 58.100 0.114 0.000 1.179 226 Y CB -0.990 37.404 38.460 -0.110 0.000 0.998 226 Y HN -0.119 nan 8.280 nan 0.000 0.532 227 I N -0.821 119.817 120.570 0.114 0.000 2.179 227 I HA -0.241 3.929 4.170 0.001 0.000 0.242 227 I C 2.291 178.434 176.117 0.043 0.000 1.088 227 I CA 1.202 62.529 61.300 0.045 0.000 1.357 227 I CB -1.309 36.677 38.000 -0.022 0.000 1.051 227 I HN 0.060 nan 8.210 nan 0.000 0.409 228 V N 1.335 121.192 119.914 -0.095 0.000 2.295 228 V HA -0.259 3.862 4.120 0.001 0.000 0.246 228 V C 2.816 178.908 176.094 -0.003 0.000 1.049 228 V CA 1.797 64.013 62.300 -0.139 0.000 1.024 228 V CB -1.182 30.287 31.823 -0.589 0.000 0.648 228 V HN 0.461 nan 8.190 nan 0.000 0.447 229 A N -0.723 122.104 122.820 0.012 0.000 1.902 229 A HA -0.307 4.014 4.320 0.001 0.000 0.217 229 A C 2.101 179.809 177.584 0.208 0.000 1.181 229 A CA 2.369 54.452 52.037 0.075 0.000 0.623 229 A CB -0.827 18.101 19.000 -0.120 0.000 0.818 229 A HN 0.717 nan 8.150 nan 0.000 0.443 230 H N 0.238 119.404 119.070 0.161 0.000 2.357 230 H HA -0.059 4.498 4.556 0.001 0.000 0.301 230 H C 2.047 177.471 175.328 0.159 0.000 1.082 230 H CA 1.909 58.066 56.048 0.181 0.000 1.342 230 H CB -0.020 29.776 29.762 0.058 0.000 1.389 230 H HN 0.415 nan 8.280 nan 0.000 0.511 231 N N 0.364 119.171 118.700 0.179 0.000 2.120 231 N HA -0.153 4.588 4.740 0.001 0.000 0.188 231 N C 2.186 177.737 175.510 0.068 0.000 1.024 231 N CA 1.102 54.224 53.050 0.121 0.000 0.852 231 N CB -0.537 38.037 38.487 0.145 0.000 1.003 231 N HN 0.398 nan 8.380 nan 0.000 0.424 232 L N 0.861 122.103 121.223 0.031 0.000 2.012 232 L HA -0.131 4.209 4.340 0.001 0.000 0.210 232 L C 2.052 178.729 176.870 -0.323 0.000 1.073 232 L CA 1.163 55.801 54.840 -0.337 0.000 0.748 232 L CB -0.243 41.469 42.059 -0.578 0.000 0.891 232 L HN 0.100 nan 8.230 nan 0.000 0.431 233 L N -0.652 120.530 121.223 -0.069 0.000 2.093 233 L HA -0.191 4.149 4.340 0.001 0.000 0.208 233 L C 2.818 179.734 176.870 0.078 0.000 1.085 233 L CA 1.223 56.087 54.840 0.041 0.000 0.755 233 L CB -0.419 41.738 42.059 0.164 0.000 0.904 233 L HN 0.230 nan 8.230 nan 0.000 0.435 234 R N -0.263 120.287 120.500 0.083 0.000 2.075 234 R HA -0.121 4.219 4.340 0.001 0.000 0.232 234 R C 2.448 178.808 176.300 0.101 0.000 1.126 234 R CA 1.284 57.438 56.100 0.090 0.000 0.963 234 R CB -0.526 29.824 30.300 0.084 0.000 0.858 234 R HN 0.340 nan 8.270 nan 0.000 0.435 235 A N 0.611 123.491 122.820 0.100 0.000 1.902 235 A HA -0.258 4.062 4.320 0.001 0.000 0.217 235 A C 1.962 179.696 177.584 0.250 0.000 1.181 235 A CA 1.915 54.050 52.037 0.164 0.000 0.623 235 A CB -0.788 18.264 19.000 0.086 0.000 0.818 235 A HN 0.484 nan 8.150 nan 0.000 0.443 236 H N -0.043 119.145 119.070 0.197 0.000 2.290 236 H HA -0.023 4.533 4.556 0.001 0.000 0.298 236 H C 2.165 177.588 175.328 0.159 0.000 1.087 236 H CA 2.293 58.502 56.048 0.268 0.000 1.291 236 H CB -0.305 29.582 29.762 0.208 0.000 1.369 236 H HN 0.383 nan 8.280 nan 0.000 0.492 237 A N 0.321 123.203 122.820 0.102 0.000 1.883 237 A HA -0.217 4.103 4.320 0.001 0.000 0.217 237 A C 2.348 179.926 177.584 -0.011 0.000 1.186 237 A CA 2.016 54.059 52.037 0.010 0.000 0.624 237 A CB -0.616 18.385 19.000 0.002 0.000 0.822 237 A HN 0.555 nan 8.150 nan 0.000 0.444 238 E N -0.663 119.565 120.200 0.047 0.000 2.106 238 E HA -0.076 4.275 4.350 0.001 0.000 0.192 238 E C 2.124 178.771 176.600 0.078 0.000 0.984 238 E CA 1.666 58.106 56.400 0.066 0.000 0.806 238 E CB -0.469 29.288 29.700 0.094 0.000 0.750 238 E HN 0.555 nan 8.360 nan 0.000 0.458 239 T N -0.383 114.230 114.554 0.098 0.000 2.777 239 T HA -0.099 4.251 4.350 0.001 0.000 0.266 239 T C 1.864 176.619 174.700 0.092 0.000 1.040 239 T CA 1.249 63.426 62.100 0.129 0.000 1.141 239 T CB -0.232 68.749 68.868 0.188 0.000 0.868 239 T HN -0.007 nan 8.240 nan 0.000 0.444 240 V N 1.614 121.490 119.914 -0.062 0.000 2.427 240 V HA -0.159 3.962 4.120 0.001 0.000 0.248 240 V C 2.329 178.426 176.094 0.005 0.000 1.051 240 V CA 1.828 64.086 62.300 -0.069 0.000 1.048 240 V CB -0.581 31.122 31.823 -0.201 0.000 0.666 240 V HN 0.474 nan 8.190 nan 0.000 0.456 241 D N 0.168 120.567 120.400 -0.003 0.000 2.097 241 D HA -0.173 4.468 4.640 0.001 0.000 0.195 241 D C 1.979 178.279 176.300 0.000 0.000 0.989 241 D CA 1.553 55.547 54.000 -0.010 0.000 0.827 241 D CB -0.152 40.648 40.800 -0.001 0.000 0.966 241 D HN 0.418 nan 8.370 nan 0.000 0.456 242 I N -0.423 120.203 120.570 0.093 0.000 2.163 242 I HA -0.277 3.893 4.170 0.001 0.000 0.243 242 I C 2.031 178.244 176.117 0.159 0.000 1.085 242 I CA 1.057 62.480 61.300 0.206 0.000 1.347 242 I CB -0.384 37.789 38.000 0.287 0.000 1.044 242 I HN 0.161 nan 8.210 nan 0.000 0.408 243 Y N 1.863 122.119 120.300 -0.074 0.000 2.145 243 Y HA -0.286 4.264 4.550 0.000 0.000 0.286 243 Y C 2.246 178.001 175.900 -0.242 0.000 1.145 243 Y CA 2.032 59.919 58.100 -0.355 0.000 1.148 243 Y CB -0.566 37.523 38.460 -0.619 0.000 0.981 243 Y HN 0.207 nan 8.280 nan 0.000 0.507 244 N N -0.340 118.267 118.700 -0.154 0.000 2.120 244 N HA -0.180 4.560 4.740 0.001 0.000 0.188 244 N C 1.695 177.010 175.510 -0.325 0.000 1.024 244 N CA 1.369 54.289 53.050 -0.216 0.000 0.852 244 N CB -0.145 38.272 38.487 -0.117 0.000 1.003 244 N HN 0.340 nan 8.380 nan 0.000 0.424 245 K N -0.203 119.965 120.400 -0.386 0.000 2.097 245 K HA -0.103 4.217 4.320 0.001 0.000 0.205 245 K C 0.774 176.882 176.600 -0.820 0.000 1.050 245 K CA 1.264 57.147 56.287 -0.674 0.000 0.938 245 K CB 0.064 31.982 32.500 -0.970 0.000 0.718 245 K HN 0.363 nan 8.250 nan 0.000 0.442 246 Y N -2.488 117.592 120.300 -0.368 0.000 2.432 246 Y HA 0.181 4.731 4.550 0.001 0.000 0.252 246 Y C 1.478 176.864 175.900 -0.857 0.000 1.097 246 Y CA -0.228 57.520 58.100 -0.586 0.000 1.250 246 Y CB 0.844 38.894 38.460 -0.683 0.000 1.245 246 Y HN 0.090 nan 8.280 nan 0.000 0.522 247 H N -1.440 117.381 119.070 -0.414 0.000 3.643 247 H HA 0.177 4.733 4.556 0.001 0.000 0.256 247 H C 1.515 176.353 175.328 -0.817 0.000 1.107 247 H CA 0.024 55.724 56.048 -0.580 0.000 1.175 247 H CB 0.672 29.997 29.762 -0.728 0.000 1.519 247 H HN 0.170 nan 8.280 nan 0.000 0.565 248 K N 1.795 121.657 120.400 -0.897 0.000 2.057 248 K HA -0.052 4.268 4.320 0.001 0.000 0.206 248 K C 1.266 177.706 176.600 -0.266 0.000 1.050 248 K CA 1.285 57.154 56.287 -0.697 0.000 0.935 248 K CB 0.070 32.288 32.500 -0.470 0.000 0.715 248 K HN 0.301 nan 8.250 nan 0.000 0.439 249 G N -0.347 108.318 108.800 -0.226 0.000 2.614 249 G HA2 -0.414 3.547 3.960 0.001 0.000 0.303 249 G HA3 -0.414 3.547 3.960 0.001 0.000 0.303 249 G C 0.803 175.656 174.900 -0.078 0.000 1.270 249 G CA 0.808 45.834 45.100 -0.123 0.000 0.988 249 G HN 0.567 nan 8.290 nan 0.000 0.551 250 A N -0.760 122.036 122.820 -0.040 0.000 2.147 250 A HA 0.403 4.724 4.320 0.001 0.000 0.211 250 A C 1.665 179.251 177.584 0.002 0.000 1.160 250 A CA 2.029 54.055 52.037 -0.019 0.000 0.781 250 A CB -0.032 18.962 19.000 -0.010 0.000 0.842 250 A HN 1.054 nan 8.150 nan 0.000 0.475 251 D N -1.821 118.587 120.400 0.013 0.000 2.510 251 D HA 0.197 4.838 4.640 0.001 0.000 0.234 251 D C 0.910 177.247 176.300 0.063 0.000 1.178 251 D CA 0.444 54.466 54.000 0.037 0.000 0.816 251 D CB -0.843 39.979 40.800 0.037 0.000 1.143 251 D HN 0.210 nan 8.370 nan 0.000 0.526 252 G N 0.176 109.028 108.800 0.087 0.000 2.503 252 G HA2 0.552 4.513 3.960 0.001 0.000 0.257 252 G HA3 0.552 4.513 3.960 0.001 0.000 0.257 252 G C -0.277 174.774 174.900 0.251 0.000 1.214 252 G CA -0.577 44.652 45.100 0.214 0.000 0.839 252 G HN 0.034 nan 8.290 nan 0.000 0.559 253 R N -0.168 120.473 120.500 0.236 0.000 2.698 253 R HA 0.573 4.913 4.340 0.001 0.000 0.275 253 R C -1.358 174.932 176.300 -0.016 0.000 1.001 253 R CA -0.768 55.414 56.100 0.137 0.000 0.896 253 R CB 2.613 32.955 30.300 0.068 0.000 1.218 253 R HN 0.512 nan 8.270 nan 0.000 0.462 254 I N 0.553 121.094 120.570 -0.048 0.000 2.769 254 I HA 0.762 4.933 4.170 0.001 0.000 0.298 254 I C -0.655 175.500 176.117 0.063 0.000 1.128 254 I CA -0.268 60.950 61.300 -0.135 0.000 1.031 254 I CB 2.258 39.985 38.000 -0.455 0.000 1.235 254 I HN 0.781 nan 8.210 nan 0.000 0.423 255 G N 5.945 114.814 108.800 0.115 0.000 2.772 255 G HA2 0.630 4.591 3.960 0.001 0.000 0.284 255 G HA3 0.630 4.591 3.960 0.001 0.000 0.284 255 G C -1.760 173.279 174.900 0.231 0.000 1.217 255 G CA -0.521 44.718 45.100 0.232 0.000 0.831 255 G HN 0.867 nan 8.290 nan 0.000 0.523 256 L N -3.255 118.055 121.223 0.146 0.000 2.479 256 L HA 0.964 5.304 4.340 0.001 0.000 0.255 256 L C -0.797 176.081 176.870 0.014 0.000 1.026 256 L CA -1.343 53.546 54.840 0.082 0.000 0.842 256 L CB 1.999 44.083 42.059 0.042 0.000 1.444 256 L HN 1.056 nan 8.230 nan 0.000 0.409 257 A N 2.436 125.246 122.820 -0.018 0.000 2.273 257 A HA 0.773 5.093 4.320 0.001 0.000 0.315 257 A C -0.773 176.769 177.584 -0.069 0.000 1.256 257 A CA -0.479 51.533 52.037 -0.042 0.000 0.851 257 A CB 0.683 19.640 19.000 -0.072 0.000 1.172 257 A HN 0.657 nan 8.150 nan 0.000 0.508 258 L N 3.891 125.084 121.223 -0.049 0.000 2.307 258 L HA 0.361 4.701 4.340 0.001 0.000 0.284 258 L C 0.153 177.013 176.870 -0.017 0.000 1.023 258 L CA -0.975 53.833 54.840 -0.054 0.000 0.810 258 L CB 1.393 43.439 42.059 -0.023 0.000 1.231 258 L HN 0.854 nan 8.230 nan 0.000 0.423 259 N N 2.934 121.615 118.700 -0.030 0.000 2.520 259 N HA 0.253 4.994 4.740 0.001 0.000 0.273 259 N C -0.979 174.527 175.510 -0.007 0.000 1.155 259 N CA -0.356 52.674 53.050 -0.033 0.000 0.967 259 N CB 2.036 40.470 38.487 -0.088 0.000 1.092 259 N HN 0.266 nan 8.380 nan 0.000 0.457 260 V N 2.210 122.128 119.914 0.008 0.000 2.482 260 V HA 0.336 4.456 4.120 0.001 0.000 0.295 260 V C -0.579 175.589 176.094 0.124 0.000 1.026 260 V CA -0.804 61.569 62.300 0.121 0.000 0.856 260 V CB 0.495 32.440 31.823 0.202 0.000 1.001 260 V HN 0.486 nan 8.190 nan 0.000 0.424 261 F N 2.433 122.553 119.950 0.282 0.000 2.456 261 F HA 0.567 5.095 4.527 0.001 0.000 0.358 261 F C 1.423 177.424 175.800 0.336 0.000 1.095 261 F CA 0.204 58.380 58.000 0.294 0.000 1.216 261 F CB 0.965 40.093 39.000 0.214 0.000 1.125 261 F HN 0.616 nan 8.300 nan 0.000 0.549 262 G N 3.331 112.503 108.800 0.621 0.000 2.491 262 G HA2 0.390 4.350 3.960 0.001 0.000 0.242 262 G HA3 0.390 4.350 3.960 0.001 0.000 0.242 262 G C -0.418 174.681 174.900 0.332 0.000 1.266 262 G CA -0.740 44.644 45.100 0.474 0.000 0.844 262 G HN 0.447 nan 8.290 nan 0.000 0.571 263 R N 0.921 121.569 120.500 0.247 0.000 2.502 263 R HA 0.406 4.746 4.340 0.001 0.000 0.300 263 R C -1.233 175.156 176.300 0.149 0.000 0.984 263 R CA -0.718 55.486 56.100 0.174 0.000 0.882 263 R CB 1.836 32.249 30.300 0.188 0.000 1.180 263 R HN 0.304 nan 8.270 nan 0.000 0.444 264 V N 4.792 124.758 119.914 0.088 0.000 2.459 264 V HA 0.368 4.488 4.120 0.001 0.000 0.295 264 V C -2.151 174.111 176.094 0.280 0.000 1.029 264 V CA -2.380 60.003 62.300 0.139 0.000 0.874 264 V CB 2.163 33.967 31.823 -0.031 0.000 0.985 264 V HN 0.509 nan 8.190 nan 0.000 0.438 265 P HA 0.003 nan 4.420 nan 0.000 0.264 265 P C 0.193 177.695 177.300 0.338 0.000 1.193 265 P CA 0.235 63.493 63.100 0.264 0.000 0.763 265 P CB 0.323 32.135 31.700 0.187 0.000 0.810 266 Y N 3.734 124.145 120.300 0.186 0.000 2.151 266 Y HA -0.200 4.350 4.550 0.001 0.000 0.284 266 Y C 1.092 176.962 175.900 -0.049 0.000 1.166 266 Y CA 2.154 60.285 58.100 0.051 0.000 1.163 266 Y CB -0.064 38.406 38.460 0.017 0.000 0.974 266 Y HN 0.385 nan 8.280 nan 0.000 0.511 267 T N -2.993 111.605 114.554 0.073 0.000 2.887 267 T HA 0.339 4.689 4.350 0.001 0.000 0.292 267 T C -0.444 174.281 174.700 0.041 0.000 1.087 267 T CA -0.894 61.194 62.100 -0.019 0.000 1.009 267 T CB 1.273 70.133 68.868 -0.014 0.000 1.203 267 T HN 0.220 nan 8.240 nan 0.000 0.518 268 N N 0.498 119.214 118.700 0.027 0.000 3.091 268 N HA 0.289 5.029 4.740 0.001 0.000 0.301 268 N C -0.668 174.869 175.510 0.046 0.000 1.325 268 N CA -0.212 52.870 53.050 0.054 0.000 1.143 268 N CB 0.370 38.889 38.487 0.055 0.000 1.450 268 N HN 0.456 nan 8.380 nan 0.000 0.542 269 T N -0.276 114.291 114.554 0.022 0.000 2.885 269 T HA 0.183 4.533 4.350 0.001 0.000 0.285 269 T C 1.107 175.782 174.700 -0.042 0.000 1.019 269 T CA -0.781 61.294 62.100 -0.041 0.000 1.010 269 T CB 0.686 69.478 68.868 -0.127 0.000 1.022 269 T HN 0.305 nan 8.240 nan 0.000 0.466 270 F N 2.122 122.078 119.950 0.009 0.000 2.202 270 F HA 0.012 4.539 4.527 0.001 0.000 0.301 270 F C 1.638 177.429 175.800 -0.014 0.000 1.082 270 F CA 1.108 59.110 58.000 0.003 0.000 1.313 270 F CB -0.903 38.092 39.000 -0.008 0.000 1.024 270 F HN 0.391 nan 8.300 nan 0.000 0.495 271 L N 0.502 121.387 121.223 -0.564 0.000 2.056 271 L HA -0.159 4.182 4.340 0.001 0.000 0.207 271 L C 2.099 178.914 176.870 -0.092 0.000 1.078 271 L CA 1.455 56.050 54.840 -0.408 0.000 0.749 271 L CB -0.744 40.886 42.059 -0.715 0.000 0.901 271 L HN 0.114 nan 8.230 nan 0.000 0.433 272 D N -0.697 119.683 120.400 -0.035 0.000 2.234 272 D HA -0.122 4.518 4.640 0.001 0.000 0.205 272 D C 2.277 178.657 176.300 0.134 0.000 0.962 272 D CA 0.713 54.776 54.000 0.105 0.000 0.855 272 D CB 0.030 40.917 40.800 0.144 0.000 0.951 272 D HN 0.387 nan 8.370 nan 0.000 0.500 273 Q N 0.372 120.241 119.800 0.115 0.000 2.079 273 Q HA -0.125 4.216 4.340 0.001 0.000 0.200 273 Q C 2.139 178.226 176.000 0.145 0.000 0.974 273 Q CA 1.000 56.884 55.803 0.136 0.000 0.840 273 Q CB -0.028 28.791 28.738 0.136 0.000 0.898 273 Q HN 0.350 nan 8.270 nan 0.000 0.430 274 Q N -0.041 119.850 119.800 0.152 0.000 2.124 274 Q HA -0.133 4.207 4.340 0.001 0.000 0.202 274 Q C 2.066 178.169 176.000 0.171 0.000 0.977 274 Q CA 1.264 57.164 55.803 0.161 0.000 0.850 274 Q CB -0.148 28.695 28.738 0.175 0.000 0.901 274 Q HN 0.380 nan 8.270 nan 0.000 0.429 275 A N 0.751 123.683 122.820 0.187 0.000 1.898 275 A HA -0.226 4.094 4.320 0.001 0.000 0.216 275 A C 2.071 179.749 177.584 0.157 0.000 1.181 275 A CA 1.270 53.418 52.037 0.185 0.000 0.620 275 A CB -0.495 18.623 19.000 0.197 0.000 0.819 275 A HN 0.280 nan 8.150 nan 0.000 0.442 276 Q N -0.199 119.698 119.800 0.161 0.000 2.084 276 Q HA -0.204 4.137 4.340 0.001 0.000 0.202 276 Q C 1.756 177.848 176.000 0.154 0.000 0.978 276 Q CA 1.810 57.709 55.803 0.160 0.000 0.844 276 Q CB -0.242 28.596 28.738 0.167 0.000 0.898 276 Q HN 0.681 nan 8.270 nan 0.000 0.426 277 E N 0.325 120.614 120.200 0.148 0.000 2.077 277 E HA -0.155 4.195 4.350 0.001 0.000 0.193 277 E C 2.129 178.818 176.600 0.149 0.000 0.989 277 E CA 0.759 57.247 56.400 0.146 0.000 0.800 277 E CB -0.218 29.561 29.700 0.131 0.000 0.746 277 E HN 0.378 nan 8.360 nan 0.000 0.452 278 R N 0.522 121.108 120.500 0.143 0.000 2.096 278 R HA -0.035 4.305 4.340 0.001 0.000 0.235 278 R C 2.549 178.918 176.300 0.115 0.000 1.127 278 R CA 1.207 57.384 56.100 0.129 0.000 0.968 278 R CB -0.128 30.251 30.300 0.132 0.000 0.861 278 R HN 0.014 nan 8.270 nan 0.000 0.440 279 S N 0.433 116.206 115.700 0.122 0.000 2.357 279 S HA -0.062 4.409 4.470 0.001 0.000 0.221 279 S C 1.940 176.633 174.600 0.154 0.000 1.031 279 S CA 0.956 59.225 58.200 0.115 0.000 0.982 279 S CB -0.015 63.253 63.200 0.114 0.000 0.853 279 S HN 0.171 nan 8.310 nan 0.000 0.458 280 M N 1.760 121.467 119.600 0.177 0.000 2.108 280 M HA -0.122 4.359 4.480 0.001 0.000 0.261 280 M C 1.516 177.946 176.300 0.215 0.000 1.066 280 M CA 1.370 56.796 55.300 0.211 0.000 1.107 280 M CB -1.528 31.200 32.600 0.213 0.000 1.356 280 M HN 0.175 nan 8.290 nan 0.000 0.406 281 D N 0.126 120.640 120.400 0.190 0.000 2.144 281 D HA -0.161 4.479 4.640 0.001 0.000 0.199 281 D C 1.938 178.335 176.300 0.162 0.000 0.984 281 D CA 1.234 55.346 54.000 0.187 0.000 0.834 281 D CB -0.201 40.693 40.800 0.157 0.000 0.955 281 D HN 0.177 nan 8.370 nan 0.000 0.465 282 K N -0.072 120.397 120.400 0.114 0.000 2.432 282 K HA 0.016 4.336 4.320 0.001 0.000 0.196 282 K C 1.631 178.366 176.600 0.226 0.000 1.038 282 K CA 0.396 56.708 56.287 0.043 0.000 0.986 282 K CB -0.318 32.146 32.500 -0.060 0.000 0.782 282 K HN 0.194 nan 8.250 nan 0.000 0.485 283 C N -1.348 118.126 119.300 0.290 0.000 2.654 283 C HA 0.288 4.748 4.460 0.001 0.000 0.288 283 C C 2.127 177.350 174.990 0.388 0.000 1.578 283 C CA -0.065 59.186 59.018 0.389 0.000 1.941 283 C CB -0.907 27.063 27.740 0.382 0.000 1.856 283 C HN 0.513 nan 8.230 nan 0.000 0.706 284 L N 2.110 123.510 121.223 0.295 0.000 2.023 284 L HA 0.270 4.610 4.340 0.001 0.000 0.205 284 L C 2.421 179.406 176.870 0.191 0.000 1.073 284 L CA 2.852 57.825 54.840 0.221 0.000 0.745 284 L CB -1.302 40.864 42.059 0.177 0.000 0.900 284 L HN 0.471 nan 8.230 nan 0.000 0.435 285 G N -1.369 107.554 108.800 0.205 0.000 2.432 285 G HA2 -0.333 3.627 3.960 0.001 0.000 0.219 285 G HA3 -0.333 3.627 3.960 0.001 0.000 0.219 285 G C 1.340 176.375 174.900 0.225 0.000 1.135 285 G CA 0.625 45.832 45.100 0.179 0.000 0.767 285 G HN 0.579 nan 8.290 nan 0.000 0.550 286 W N 1.194 122.494 121.300 0.001 0.000 2.321 286 W HA -0.049 4.611 4.660 0.001 0.000 0.306 286 W C 1.703 177.969 176.519 -0.422 0.000 1.217 286 W CA 1.113 58.344 57.345 -0.190 0.000 1.257 286 W CB -0.593 28.650 29.460 -0.362 0.000 1.145 286 W HN 0.242 nan 8.180 nan 0.000 0.509 287 F N -1.629 118.428 119.950 0.178 0.000 2.559 287 F HA 0.065 4.592 4.527 0.001 0.000 0.286 287 F C 1.976 177.715 175.800 -0.102 0.000 1.108 287 F CA 0.412 58.386 58.000 -0.045 0.000 1.436 287 F CB -1.289 37.600 39.000 -0.185 0.000 1.130 287 F HN -0.253 nan 8.300 nan 0.000 0.584 288 L N 0.553 121.791 121.223 0.024 0.000 2.072 288 L HA -0.072 4.269 4.340 0.001 0.000 0.205 288 L C 2.102 178.865 176.870 -0.178 0.000 1.079 288 L CA 1.929 56.660 54.840 -0.181 0.000 0.752 288 L CB -0.590 41.251 42.059 -0.364 0.000 0.906 288 L HN 0.078 nan 8.230 nan 0.000 0.436 289 E N -0.410 119.747 120.200 -0.071 0.000 2.072 289 E HA -0.173 4.178 4.350 0.001 0.000 0.191 289 E C -0.435 176.164 176.600 -0.002 0.000 0.985 289 E CA 1.275 57.689 56.400 0.024 0.000 0.801 289 E CB -0.946 28.848 29.700 0.156 0.000 0.750 289 E HN 0.465 nan 8.360 nan 0.000 0.452 290 P HA -0.191 nan 4.420 nan 0.000 0.215 290 P C 1.721 178.938 177.300 -0.140 0.000 1.157 290 P CA 1.605 64.588 63.100 -0.195 0.000 0.874 290 P CB -0.087 31.440 31.700 -0.289 0.000 0.790 291 V N -4.127 115.741 119.914 -0.077 0.000 2.871 291 V HA -0.058 4.062 4.120 0.001 0.000 0.256 291 V C 1.918 178.128 176.094 0.195 0.000 1.082 291 V CA 1.315 63.642 62.300 0.045 0.000 1.105 291 V CB -1.231 30.613 31.823 0.035 0.000 0.713 291 V HN -0.072 nan 8.190 nan 0.000 0.473 292 V N 1.678 121.653 119.914 0.102 0.000 2.446 292 V HA 0.038 4.159 4.120 0.001 0.000 0.244 292 V C 2.650 178.847 176.094 0.172 0.000 1.039 292 V CA 2.273 64.699 62.300 0.211 0.000 1.045 292 V CB -0.336 31.562 31.823 0.124 0.000 0.681 292 V HN 0.795 nan 8.190 nan 0.000 0.459 293 R N -0.618 119.946 120.500 0.107 0.000 2.521 293 R HA 0.398 4.738 4.340 0.001 0.000 0.289 293 R C 1.309 177.636 176.300 0.044 0.000 0.936 293 R CA 0.873 57.029 56.100 0.093 0.000 1.089 293 R CB 0.830 31.203 30.300 0.122 0.000 1.348 293 R HN 0.349 nan 8.270 nan 0.000 0.536 294 G N 0.570 109.359 108.800 -0.018 0.000 2.157 294 G HA2 -0.244 3.716 3.960 0.001 0.000 0.239 294 G HA3 -0.244 3.716 3.960 0.001 0.000 0.239 294 G C -0.547 174.300 174.900 -0.089 0.000 0.982 294 G CA 0.314 45.354 45.100 -0.100 0.000 0.650 294 G HN 0.519 nan 8.290 nan 0.000 0.527 295 D N -1.774 118.616 120.400 -0.018 0.000 2.615 295 D HA 0.567 5.207 4.640 0.001 0.000 0.267 295 D C -0.127 176.192 176.300 0.033 0.000 1.236 295 D CA -0.692 53.338 54.000 0.051 0.000 0.839 295 D CB 0.629 41.536 40.800 0.177 0.000 1.380 295 D HN -0.022 nan 8.370 nan 0.000 0.433 296 Y N 0.286 120.724 120.300 0.229 0.000 2.426 296 Y HA 0.278 4.828 4.550 0.001 0.000 0.344 296 Y C -1.458 174.519 175.900 0.128 0.000 1.256 296 Y CA -1.205 56.989 58.100 0.156 0.000 1.451 296 Y CB -0.322 38.190 38.460 0.086 0.000 1.342 296 Y HN 0.133 nan 8.280 nan 0.000 0.600 297 P HA -0.076 nan 4.420 nan 0.000 0.266 297 P C 0.493 177.922 177.300 0.215 0.000 1.195 297 P CA 0.215 63.464 63.100 0.248 0.000 0.768 297 P CB 0.321 32.150 31.700 0.216 0.000 0.838 298 F N 3.314 123.329 119.950 0.108 0.000 2.120 298 F HA -0.306 4.221 4.527 0.001 0.000 0.300 298 F C 2.269 178.095 175.800 0.044 0.000 1.095 298 F CA 2.606 60.651 58.000 0.076 0.000 1.249 298 F CB -0.594 38.448 39.000 0.069 0.000 0.995 298 F HN 0.341 nan 8.300 nan 0.000 0.480 299 S N 0.247 116.074 115.700 0.211 0.000 2.383 299 S HA -0.289 4.181 4.470 0.001 0.000 0.229 299 S C 2.047 176.609 174.600 -0.063 0.000 1.030 299 S CA 1.585 59.845 58.200 0.101 0.000 1.002 299 S CB -0.817 62.476 63.200 0.155 0.000 0.829 299 S HN 0.555 nan 8.310 nan 0.000 0.467 300 M N 0.841 120.397 119.600 -0.073 0.000 2.175 300 M HA 0.003 4.483 4.480 0.001 0.000 0.264 300 M C 2.774 178.910 176.300 -0.273 0.000 1.063 300 M CA 1.313 56.510 55.300 -0.172 0.000 1.119 300 M CB -0.309 32.175 32.600 -0.194 0.000 1.377 300 M HN 0.327 nan 8.290 nan 0.000 0.415 301 R N -0.558 119.769 120.500 -0.289 0.000 2.062 301 R HA -0.082 4.258 4.340 0.001 0.000 0.229 301 R C 2.212 178.288 176.300 -0.374 0.000 1.128 301 R CA 1.196 57.085 56.100 -0.353 0.000 0.960 301 R CB -0.672 29.438 30.300 -0.316 0.000 0.855 301 R HN 0.231 nan 8.270 nan 0.000 0.432 302 V N 0.555 120.169 119.914 -0.500 0.000 2.626 302 V HA -0.227 3.894 4.120 0.001 0.000 0.252 302 V C 2.322 178.280 176.094 -0.226 0.000 1.067 302 V CA 2.064 64.116 62.300 -0.414 0.000 1.081 302 V CB 0.043 31.555 31.823 -0.517 0.000 0.686 302 V HN 0.313 nan 8.190 nan 0.000 0.468 303 S N -0.357 115.230 115.700 -0.188 0.000 2.335 303 S HA -0.005 4.465 4.470 0.001 0.000 0.217 303 S C 1.956 176.481 174.600 -0.126 0.000 1.032 303 S CA 1.433 59.575 58.200 -0.096 0.000 0.985 303 S CB -0.276 62.918 63.200 -0.009 0.000 0.896 303 S HN 0.740 nan 8.310 nan 0.000 0.445 304 A N 1.034 123.716 122.820 -0.230 0.000 2.147 304 A HA 0.343 4.663 4.320 0.001 0.000 0.211 304 A C 1.164 178.541 177.584 -0.346 0.000 1.160 304 A CA 0.211 52.053 52.037 -0.326 0.000 0.781 304 A CB -0.262 18.398 19.000 -0.567 0.000 0.842 304 A HN 0.464 nan 8.150 nan 0.000 0.475 305 R N 0.062 120.382 120.500 -0.301 0.000 3.869 305 R HA -0.213 4.128 4.340 0.001 0.000 0.424 305 R C 0.411 176.559 176.300 -0.254 0.000 0.241 305 R CA 1.844 57.805 56.100 -0.232 0.000 1.351 305 R CB -1.952 28.254 30.300 -0.155 0.000 0.979 305 R HN 0.448 nan 8.270 nan 0.000 0.572 306 D N 1.535 121.824 120.400 -0.186 0.000 2.350 306 D HA -0.048 4.593 4.640 0.001 0.000 0.216 306 D C 1.776 177.929 176.300 -0.245 0.000 0.968 306 D CA 0.819 54.721 54.000 -0.163 0.000 0.894 306 D CB -0.208 40.528 40.800 -0.107 0.000 0.909 306 D HN 0.299 nan 8.370 nan 0.000 0.520 307 R N -0.044 120.246 120.500 -0.351 0.000 2.276 307 R HA 0.065 4.405 4.340 0.001 0.000 0.203 307 R C 0.209 176.111 176.300 -0.663 0.000 1.017 307 R CA 0.169 55.999 56.100 -0.450 0.000 1.010 307 R CB 0.553 30.558 30.300 -0.492 0.000 0.900 307 R HN -0.011 nan 8.270 nan 0.000 0.469 308 V N 3.499 122.997 119.914 -0.694 0.000 2.348 308 V HA 0.212 4.333 4.120 0.001 0.000 0.270 308 V C -2.121 173.615 176.094 -0.597 0.000 1.037 308 V CA -2.115 59.742 62.300 -0.739 0.000 0.872 308 V CB 1.084 32.435 31.823 -0.787 0.000 1.002 308 V HN -0.028 nan 8.190 nan 0.000 0.464 309 P HA 0.214 nan 4.420 nan 0.000 0.272 309 P C -1.026 175.885 177.300 -0.647 0.000 1.230 309 P CA -0.101 62.607 63.100 -0.654 0.000 0.788 309 P CB 0.382 31.392 31.700 -1.150 0.000 0.949 310 Y N -0.025 120.101 120.300 -0.290 0.000 2.334 310 Y HA 0.387 4.937 4.550 0.001 0.000 0.328 310 Y C 0.559 176.453 175.900 -0.009 0.000 1.130 310 Y CA -0.131 57.918 58.100 -0.085 0.000 1.163 310 Y CB 0.548 39.005 38.460 -0.005 0.000 1.207 310 Y HN 0.231 nan 8.280 nan 0.000 0.471 311 F N 2.152 122.349 119.950 0.412 0.000 2.418 311 F HA 0.276 4.804 4.527 0.001 0.000 0.341 311 F C 0.592 176.516 175.800 0.207 0.000 1.120 311 F CA -0.556 57.613 58.000 0.283 0.000 1.232 311 F CB 0.575 39.646 39.000 0.119 0.000 1.175 311 F HN 0.274 nan 8.300 nan 0.000 0.569 312 K N 1.338 121.945 120.400 0.346 0.000 2.219 312 K HA 0.013 4.334 4.320 0.001 0.000 0.258 312 K C 1.212 177.918 176.600 0.177 0.000 1.008 312 K CA -0.353 56.059 56.287 0.209 0.000 0.928 312 K CB 0.698 33.292 32.500 0.157 0.000 0.983 312 K HN 0.743 nan 8.250 nan 0.000 0.484 313 E N 1.779 122.051 120.200 0.120 0.000 2.049 313 E HA -0.307 4.043 4.350 0.001 0.000 0.198 313 E C 1.583 178.225 176.600 0.069 0.000 1.007 313 E CA 1.770 58.224 56.400 0.089 0.000 0.809 313 E CB 0.122 29.859 29.700 0.062 0.000 0.749 313 E HN 0.387 nan 8.360 nan 0.000 0.450 314 K N 0.804 121.242 120.400 0.063 0.000 2.097 314 K HA -0.136 4.184 4.320 0.001 0.000 0.205 314 K C 1.893 178.517 176.600 0.040 0.000 1.050 314 K CA 1.776 58.090 56.287 0.045 0.000 0.938 314 K CB -0.007 32.519 32.500 0.043 0.000 0.718 314 K HN 0.251 nan 8.250 nan 0.000 0.442 315 E N -0.208 120.030 120.200 0.064 0.000 2.072 315 E HA -0.212 4.138 4.350 0.001 0.000 0.191 315 E C 2.121 178.699 176.600 -0.036 0.000 0.985 315 E CA 0.999 57.425 56.400 0.043 0.000 0.801 315 E CB -0.028 29.748 29.700 0.127 0.000 0.750 315 E HN 0.402 nan 8.360 nan 0.000 0.452 316 Q N 0.860 120.657 119.800 -0.006 0.000 2.084 316 Q HA -0.219 4.122 4.340 0.001 0.000 0.202 316 Q C 1.856 177.825 176.000 -0.052 0.000 0.978 316 Q CA 1.418 57.182 55.803 -0.066 0.000 0.844 316 Q CB 0.123 28.884 28.738 0.039 0.000 0.898 316 Q HN 0.276 nan 8.270 nan 0.000 0.426 317 E N 0.017 120.210 120.200 -0.012 0.000 2.085 317 E HA -0.203 4.147 4.350 0.001 0.000 0.194 317 E C 1.885 178.472 176.600 -0.022 0.000 0.994 317 E CA 1.138 57.532 56.400 -0.009 0.000 0.801 317 E CB 0.074 29.776 29.700 0.002 0.000 0.743 317 E HN 0.243 nan 8.360 nan 0.000 0.453 318 K N 0.329 120.713 120.400 -0.026 0.000 2.217 318 K HA -0.018 4.302 4.320 0.001 0.000 0.202 318 K C 2.133 178.714 176.600 -0.033 0.000 1.051 318 K CA 0.423 56.695 56.287 -0.026 0.000 0.952 318 K CB 0.080 32.570 32.500 -0.016 0.000 0.736 318 K HN 0.112 nan 8.250 nan 0.000 0.453 319 L N 1.164 122.342 121.223 -0.076 0.000 2.072 319 L HA -0.062 4.279 4.340 0.001 0.000 0.205 319 L C 0.457 177.317 176.870 -0.017 0.000 1.079 319 L CA 0.444 55.229 54.840 -0.092 0.000 0.752 319 L CB 0.100 41.970 42.059 -0.314 0.000 0.906 319 L HN -0.078 nan 8.230 nan 0.000 0.436 320 V N 1.282 121.181 119.914 -0.025 0.000 2.493 320 V HA 0.089 4.210 4.120 0.001 0.000 0.292 320 V C 1.233 177.346 176.094 0.031 0.000 1.016 320 V CA 0.985 63.297 62.300 0.019 0.000 1.097 320 V CB -0.067 31.763 31.823 0.011 0.000 0.947 320 V HN 0.660 nan 8.190 nan 0.000 0.479 321 G N 4.318 113.169 108.800 0.086 0.000 2.198 321 G HA2 -0.255 3.706 3.960 0.001 0.000 0.260 321 G HA3 -0.255 3.706 3.960 0.001 0.000 0.260 321 G C 0.438 175.245 174.900 -0.154 0.000 1.025 321 G CA 0.287 45.331 45.100 -0.094 0.000 0.769 321 G HN 1.298 nan 8.290 nan 0.000 0.507 322 S N -0.197 115.590 115.700 0.145 0.000 3.811 322 S HA 0.577 5.048 4.470 0.001 0.000 0.205 322 S C 0.003 174.835 174.600 0.388 0.000 1.445 322 S CA 0.195 58.509 58.200 0.190 0.000 1.097 322 S CB -0.737 62.598 63.200 0.225 0.000 1.350 322 S HN 1.693 nan 8.310 nan 0.000 0.471 323 Y N -2.766 117.612 120.300 0.130 0.000 2.521 323 Y HA 0.517 5.068 4.550 0.001 0.000 0.326 323 Y C -0.591 175.370 175.900 0.102 0.000 1.176 323 Y CA -1.247 56.934 58.100 0.135 0.000 1.079 323 Y CB 0.332 38.873 38.460 0.135 0.000 1.341 323 Y HN 0.014 nan 8.280 nan 0.000 0.456 324 D N 3.333 123.832 120.400 0.165 0.000 2.366 324 D HA 0.071 4.712 4.640 0.001 0.000 0.205 324 D C 0.490 176.948 176.300 0.263 0.000 1.022 324 D CA 1.130 55.209 54.000 0.132 0.000 0.868 324 D CB 0.690 41.559 40.800 0.116 0.000 0.953 324 D HN 0.630 nan 8.370 nan 0.000 0.514 325 M N -0.333 119.484 119.600 0.361 0.000 2.643 325 M HA 0.365 4.845 4.480 0.001 0.000 0.276 325 M C -2.326 174.156 176.300 0.302 0.000 1.200 325 M CA -0.748 54.770 55.300 0.363 0.000 0.863 325 M CB 2.405 35.263 32.600 0.430 0.000 1.711 325 M HN -0.395 nan 8.290 nan 0.000 0.492 326 I N 1.707 122.409 120.570 0.220 0.000 2.436 326 I HA 0.604 4.774 4.170 0.001 0.000 0.289 326 I C 0.518 176.722 176.117 0.145 0.000 1.010 326 I CA -0.187 61.168 61.300 0.093 0.000 1.098 326 I CB 1.513 39.487 38.000 -0.043 0.000 1.266 326 I HN 0.940 nan 8.210 nan 0.000 0.434 327 G N 6.812 115.677 108.800 0.109 0.000 2.372 327 G HA2 0.576 4.536 3.960 0.001 0.000 0.283 327 G HA3 0.576 4.536 3.960 0.001 0.000 0.283 327 G C -0.441 174.497 174.900 0.063 0.000 1.177 327 G CA -0.311 44.854 45.100 0.108 0.000 0.842 327 G HN 0.376 nan 8.290 nan 0.000 0.503 328 I N 2.174 122.795 120.570 0.085 0.000 2.362 328 I HA 0.228 4.399 4.170 0.001 0.000 0.289 328 I C -0.815 175.343 176.117 0.069 0.000 0.994 328 I CA -1.200 60.148 61.300 0.080 0.000 1.158 328 I CB 1.508 39.572 38.000 0.107 0.000 1.315 328 I HN 0.285 nan 8.210 nan 0.000 0.451 329 N N 6.389 125.114 118.700 0.041 0.000 2.439 329 N HA 0.246 4.987 4.740 0.001 0.000 0.249 329 N C -1.005 174.513 175.510 0.013 0.000 1.003 329 N CA -0.225 52.820 53.050 -0.010 0.000 0.942 329 N CB 0.932 39.425 38.487 0.011 0.000 1.115 329 N HN 0.421 nan 8.380 nan 0.000 0.505 330 Y N 2.268 122.444 120.300 -0.206 0.000 2.350 330 Y HA 0.340 4.890 4.550 0.001 0.000 0.338 330 Y C -0.601 175.130 175.900 -0.281 0.000 0.961 330 Y CA -0.576 57.460 58.100 -0.106 0.000 1.100 330 Y CB 0.725 39.206 38.460 0.035 0.000 1.179 330 Y HN 0.544 nan 8.280 nan 0.000 0.454 331 Y N 1.969 121.829 120.300 -0.734 0.000 2.701 331 Y HA 0.314 4.865 4.550 0.001 0.000 0.275 331 Y C 0.925 176.530 175.900 -0.491 0.000 1.133 331 Y CA 0.538 58.395 58.100 -0.405 0.000 1.241 331 Y CB 1.187 39.568 38.460 -0.133 0.000 1.389 331 Y HN 0.587 nan 8.280 nan 0.000 0.486 332 T N -1.319 112.974 114.554 -0.435 0.000 2.693 332 T HA 0.605 4.956 4.350 0.001 0.000 0.304 332 T C -1.487 173.404 174.700 0.318 0.000 1.471 332 T CA -0.543 61.605 62.100 0.080 0.000 0.993 332 T CB 1.207 70.237 68.868 0.270 0.000 1.554 332 T HN -0.077 nan 8.240 nan 0.000 0.496 333 S N 0.464 116.391 115.700 0.378 0.000 2.627 333 S HA 0.884 5.354 4.470 0.001 0.000 0.283 333 S C -0.712 173.924 174.600 0.060 0.000 1.127 333 S CA -0.686 57.697 58.200 0.305 0.000 0.863 333 S CB 1.915 65.287 63.200 0.286 0.000 1.121 333 S HN 1.086 nan 8.310 nan 0.000 0.479 334 T N -0.986 113.560 114.554 -0.013 0.000 2.864 334 T HA 0.774 5.125 4.350 0.001 0.000 0.289 334 T C -0.873 173.685 174.700 -0.236 0.000 1.082 334 T CA -0.727 61.300 62.100 -0.122 0.000 1.009 334 T CB 0.408 69.275 68.868 -0.001 0.000 1.234 334 T HN 0.292 nan 8.240 nan 0.000 0.526 335 F N 1.072 121.060 119.950 0.063 0.000 2.389 335 F HA 0.547 5.074 4.527 0.001 0.000 0.337 335 F C 1.026 176.903 175.800 0.128 0.000 1.112 335 F CA -0.384 57.689 58.000 0.122 0.000 1.192 335 F CB 1.356 40.490 39.000 0.224 0.000 1.185 335 F HN 0.497 nan 8.300 nan 0.000 0.552 336 S N 2.367 118.265 115.700 0.331 0.000 2.478 336 S HA 0.402 4.873 4.470 0.001 0.000 0.312 336 S C -0.711 174.014 174.600 0.208 0.000 1.094 336 S CA -0.947 57.377 58.200 0.207 0.000 1.081 336 S CB 1.380 64.679 63.200 0.166 0.000 1.007 336 S HN 0.482 nan 8.310 nan 0.000 0.475 337 K N 2.163 122.611 120.400 0.081 0.000 2.376 337 K HA 0.291 4.611 4.320 0.001 0.000 0.257 337 K C -0.628 175.980 176.600 0.013 0.000 0.939 337 K CA -0.690 55.585 56.287 -0.019 0.000 0.809 337 K CB 0.877 33.149 32.500 -0.379 0.000 1.121 337 K HN 0.833 nan 8.250 nan 0.000 0.425 338 H N 3.724 122.781 119.070 -0.022 0.000 2.972 338 H HA 0.107 4.663 4.556 0.001 0.000 0.343 338 H C -0.752 174.573 175.328 -0.006 0.000 1.054 338 H CA 0.671 56.723 56.048 0.006 0.000 1.412 338 H CB 0.358 30.121 29.762 0.001 0.000 1.385 338 H HN 0.427 nan 8.280 nan 0.000 0.600 339 I N 4.725 124.940 120.570 -0.593 0.000 2.465 339 I HA 0.135 4.305 4.170 0.001 0.000 0.291 339 I C -0.292 175.443 176.117 -0.637 0.000 1.014 339 I CA -0.972 60.054 61.300 -0.456 0.000 1.093 339 I CB 1.648 39.540 38.000 -0.180 0.000 1.267 339 I HN 0.647 nan 8.210 nan 0.000 0.431 340 D N 5.149 125.343 120.400 -0.343 0.000 2.372 340 D HA 0.121 4.761 4.640 0.001 0.000 0.243 340 D C -0.336 175.983 176.300 0.031 0.000 1.121 340 D CA -0.182 53.776 54.000 -0.071 0.000 0.898 340 D CB 1.656 42.510 40.800 0.089 0.000 1.202 340 D HN 0.122 nan 8.370 nan 0.000 0.428 341 L N 2.735 123.931 121.223 -0.045 0.000 2.315 341 L HA 0.235 4.575 4.340 0.001 0.000 0.283 341 L C -0.169 176.701 176.870 0.000 0.000 1.089 341 L CA 0.261 55.042 54.840 -0.097 0.000 0.833 341 L CB -0.655 41.203 42.059 -0.336 0.000 1.170 341 L HN 0.468 nan 8.230 nan 0.000 0.442 342 S N 4.959 120.691 115.700 0.052 0.000 2.615 342 S HA 0.656 5.127 4.470 0.001 0.000 0.269 342 S C -2.443 172.177 174.600 0.032 0.000 1.161 342 S CA -0.817 57.402 58.200 0.031 0.000 0.817 342 S CB 1.445 64.662 63.200 0.028 0.000 1.131 342 S HN 0.399 nan 8.310 nan 0.000 0.467 343 P HA 0.095 nan 4.420 nan 0.000 0.225 343 P C 0.588 177.892 177.300 0.007 0.000 1.148 343 P CA 0.840 63.946 63.100 0.010 0.000 0.779 343 P CB -0.148 31.554 31.700 0.003 0.000 0.780 344 N N -1.079 117.626 118.700 0.009 0.000 2.463 344 N HA -0.033 4.708 4.740 0.001 0.000 0.181 344 N C 0.351 175.857 175.510 -0.006 0.000 1.078 344 N CA 0.519 53.569 53.050 -0.001 0.000 0.902 344 N CB -0.363 38.123 38.487 -0.002 0.000 0.970 344 N HN 0.217 nan 8.380 nan 0.000 0.451 345 N N 0.266 118.972 118.700 0.009 0.000 2.372 345 N HA 0.203 4.943 4.740 0.001 0.000 0.285 345 N C -1.464 174.039 175.510 -0.012 0.000 1.008 345 N CA 0.036 53.081 53.050 -0.010 0.000 0.880 345 N CB 1.062 39.555 38.487 0.011 0.000 1.239 345 N HN -0.236 nan 8.380 nan 0.000 0.484 346 S N 3.236 118.902 115.700 -0.056 0.000 2.707 346 S HA 0.431 4.902 4.470 0.001 0.000 0.303 346 S C -2.553 171.980 174.600 -0.111 0.000 1.132 346 S CA -0.786 57.378 58.200 -0.061 0.000 1.046 346 S CB 1.699 64.872 63.200 -0.045 0.000 1.004 346 S HN 0.504 nan 8.310 nan 0.000 0.483 347 P HA 0.121 nan 4.420 nan 0.000 0.264 347 P C 0.201 177.427 177.300 -0.123 0.000 1.183 347 P CA -0.108 62.886 63.100 -0.177 0.000 0.763 347 P CB 0.639 32.230 31.700 -0.181 0.000 0.807 348 V N 2.595 122.434 119.914 -0.125 0.000 3.013 348 V HA 0.115 4.235 4.120 0.001 0.000 0.238 348 V C 0.847 176.880 176.094 -0.102 0.000 1.161 348 V CA 0.681 62.921 62.300 -0.100 0.000 1.170 348 V CB -0.222 31.544 31.823 -0.094 0.000 0.917 348 V HN 0.340 nan 8.190 nan 0.000 0.478 349 L N 1.605 122.757 121.223 -0.120 0.000 2.344 349 L HA 0.414 4.754 4.340 0.001 0.000 0.272 349 L C 1.553 178.342 176.870 -0.135 0.000 1.035 349 L CA -0.461 54.304 54.840 -0.124 0.000 0.807 349 L CB 1.007 42.986 42.059 -0.134 0.000 1.237 349 L HN 0.273 nan 8.230 nan 0.000 0.442 350 N N 0.150 118.761 118.700 -0.147 0.000 2.192 350 N HA -0.226 4.514 4.740 0.001 0.000 0.188 350 N C 1.252 176.621 175.510 -0.235 0.000 1.013 350 N CA 2.084 55.017 53.050 -0.195 0.000 0.863 350 N CB -0.801 37.427 38.487 -0.432 0.000 0.990 350 N HN 0.858 nan 8.380 nan 0.000 0.430 351 T N -2.093 112.335 114.554 -0.210 0.000 2.962 351 T HA -0.055 4.296 4.350 0.001 0.000 0.270 351 T C 1.121 175.711 174.700 -0.184 0.000 1.088 351 T CA 1.020 63.007 62.100 -0.187 0.000 1.127 351 T CB -0.173 68.607 68.868 -0.146 0.000 0.883 351 T HN 0.029 nan 8.240 nan 0.000 0.493 352 D N 1.826 122.105 120.400 -0.202 0.000 2.310 352 D HA -0.056 4.584 4.640 0.001 0.000 0.212 352 D C 1.460 177.550 176.300 -0.350 0.000 0.965 352 D CA 0.626 54.465 54.000 -0.269 0.000 0.879 352 D CB -0.301 40.339 40.800 -0.266 0.000 0.921 352 D HN 0.430 nan 8.370 nan 0.000 0.510 353 D N 0.389 120.653 120.400 -0.228 0.000 2.350 353 D HA -0.048 4.593 4.640 0.001 0.000 0.216 353 D C 1.774 178.054 176.300 -0.033 0.000 0.968 353 D CA 0.325 54.238 54.000 -0.144 0.000 0.894 353 D CB 0.058 40.815 40.800 -0.073 0.000 0.909 353 D HN 0.146 nan 8.370 nan 0.000 0.520 354 A N -0.140 122.632 122.820 -0.080 0.000 2.206 354 A HA -0.102 4.218 4.320 0.001 0.000 0.211 354 A C 0.137 177.787 177.584 0.111 0.000 1.158 354 A CA -0.038 52.010 52.037 0.019 0.000 0.761 354 A CB -0.673 18.318 19.000 -0.016 0.000 0.801 354 A HN 0.245 nan 8.150 nan 0.000 0.473 355 Y N -2.288 117.966 120.300 -0.077 0.000 3.108 355 Y HA -0.149 4.401 4.550 0.001 0.000 0.208 355 Y C 0.529 176.361 175.900 -0.114 0.000 1.245 355 Y CA 0.505 58.541 58.100 -0.107 0.000 1.171 355 Y CB -1.930 36.468 38.460 -0.103 0.000 1.331 355 Y HN 0.696 nan 8.280 nan 0.000 0.534 356 A N 0.048 122.832 122.820 -0.059 0.000 2.547 356 A HA 0.788 5.109 4.320 0.001 0.000 0.297 356 A C -0.202 177.336 177.584 -0.077 0.000 1.056 356 A CA -0.164 51.850 52.037 -0.037 0.000 0.688 356 A CB 1.094 20.111 19.000 0.028 0.000 1.282 356 A HN 0.639 nan 8.150 nan 0.000 0.400 357 S N 1.747 117.399 115.700 -0.079 0.000 2.525 357 S HA 0.647 5.118 4.470 0.001 0.000 0.290 357 S C -0.747 173.828 174.600 -0.042 0.000 1.152 357 S CA -0.691 57.459 58.200 -0.084 0.000 1.072 357 S CB 1.262 64.397 63.200 -0.109 0.000 1.027 357 S HN 0.579 nan 8.310 nan 0.000 0.500 358 Q N 2.331 122.107 119.800 -0.040 0.000 2.368 358 Q HA 0.419 4.759 4.340 0.001 0.000 0.256 358 Q C -0.620 175.401 176.000 0.034 0.000 0.980 358 Q CA -0.207 55.594 55.803 -0.003 0.000 0.887 358 Q CB 1.105 29.800 28.738 -0.072 0.000 1.221 358 Q HN 0.686 nan 8.270 nan 0.000 0.458 359 E N 1.555 121.834 120.200 0.131 0.000 2.166 359 E HA 0.185 4.535 4.350 0.001 0.000 0.275 359 E C 0.723 177.489 176.600 0.277 0.000 0.941 359 E CA -0.306 56.208 56.400 0.190 0.000 0.784 359 E CB 1.647 31.493 29.700 0.244 0.000 1.115 359 E HN 0.571 nan 8.360 nan 0.000 0.399 360 T N -0.590 114.089 114.554 0.208 0.000 3.043 360 T HA 0.067 4.418 4.350 0.001 0.000 0.263 360 T C 0.633 175.521 174.700 0.314 0.000 1.094 360 T CA 0.608 62.833 62.100 0.209 0.000 1.127 360 T CB 0.313 69.267 68.868 0.144 0.000 0.905 360 T HN 0.091 nan 8.240 nan 0.000 0.490 361 K N 1.203 121.786 120.400 0.304 0.000 2.221 361 K HA 0.606 4.927 4.320 0.001 0.000 0.258 361 K C 0.422 177.102 176.600 0.134 0.000 0.944 361 K CA -0.810 55.621 56.287 0.241 0.000 0.823 361 K CB 1.975 34.558 32.500 0.138 0.000 1.113 361 K HN 0.280 nan 8.250 nan 0.000 0.431 362 G N 1.712 110.358 108.800 -0.257 0.000 2.543 362 G HA2 0.162 4.122 3.960 0.001 0.000 0.290 362 G HA3 0.162 4.122 3.960 0.001 0.000 0.290 362 G C -1.548 172.966 174.900 -0.643 0.000 1.310 362 G CA -0.989 43.491 45.100 -1.033 0.000 1.025 362 G HN 0.351 nan 8.290 nan 0.000 0.502 363 P HA -0.017 nan 4.420 nan 0.000 0.229 363 P C 0.496 177.644 177.300 -0.255 0.000 1.160 363 P CA 1.071 63.847 63.100 -0.539 0.000 0.777 363 P CB 0.198 31.503 31.700 -0.657 0.000 0.814 364 D N -1.329 118.919 120.400 -0.253 0.000 2.328 364 D HA 0.115 4.755 4.640 0.001 0.000 0.221 364 D C 1.444 177.699 176.300 -0.075 0.000 1.072 364 D CA 0.280 54.204 54.000 -0.128 0.000 0.850 364 D CB -0.826 39.911 40.800 -0.105 0.000 0.922 364 D HN 0.214 nan 8.370 nan 0.000 0.516 365 G N 0.058 108.811 108.800 -0.078 0.000 2.179 365 G HA2 -0.290 3.670 3.960 0.001 0.000 0.260 365 G HA3 -0.290 3.670 3.960 0.001 0.000 0.260 365 G C 0.005 174.909 174.900 0.007 0.000 0.977 365 G CA -0.103 44.986 45.100 -0.019 0.000 0.641 365 G HN 0.411 nan 8.290 nan 0.000 0.533 366 N N 1.190 119.889 118.700 -0.000 0.000 2.499 366 N HA 0.626 5.366 4.740 0.001 0.000 0.281 366 N C 0.659 176.243 175.510 0.124 0.000 1.098 366 N CA 0.553 53.637 53.050 0.056 0.000 0.979 366 N CB 1.369 39.894 38.487 0.063 0.000 1.121 366 N HN 0.719 nan 8.380 nan 0.000 0.466 367 A N 1.995 124.898 122.820 0.137 0.000 2.507 367 A HA 0.006 4.327 4.320 0.001 0.000 0.235 367 A C 1.678 179.394 177.584 0.221 0.000 1.070 367 A CA -0.183 51.960 52.037 0.177 0.000 0.768 367 A CB -0.096 18.981 19.000 0.129 0.000 1.011 367 A HN 0.888 nan 8.150 nan 0.000 0.502 368 I N 0.407 121.090 120.570 0.189 0.000 2.394 368 I HA 0.108 4.278 4.170 0.001 0.000 0.251 368 I C 1.007 177.143 176.117 0.033 0.000 1.136 368 I CA 1.595 62.871 61.300 -0.040 0.000 1.425 368 I CB -0.014 37.645 38.000 -0.568 0.000 1.079 368 I HN 0.775 nan 8.210 nan 0.000 0.425 369 G N -0.037 108.830 108.800 0.113 0.000 2.576 369 G HA2 0.402 4.362 3.960 0.001 0.000 0.290 369 G HA3 0.402 4.362 3.960 0.001 0.000 0.290 369 G C -3.092 171.894 174.900 0.145 0.000 1.442 369 G CA -0.716 44.495 45.100 0.185 0.000 0.792 369 G HN -0.139 nan 8.290 nan 0.000 0.491 370 P HA 0.386 nan 4.420 nan 0.000 0.276 370 P C -2.688 174.673 177.300 0.102 0.000 1.244 370 P CA -1.439 61.724 63.100 0.105 0.000 0.801 370 P CB 1.247 33.001 31.700 0.090 0.000 1.006 371 P HA 0.079 nan 4.420 nan 0.000 0.274 371 P C 0.629 177.950 177.300 0.036 0.000 1.231 371 P CA 0.140 63.272 63.100 0.052 0.000 0.790 371 P CB 0.220 31.944 31.700 0.041 0.000 0.951 372 T N -2.669 111.880 114.554 -0.008 0.000 3.010 372 T HA 0.436 4.786 4.350 0.001 0.000 0.257 372 T C 1.074 175.715 174.700 -0.098 0.000 1.020 372 T CA 0.659 62.732 62.100 -0.045 0.000 0.938 372 T CB -0.027 68.784 68.868 -0.095 0.000 1.049 372 T HN 0.568 nan 8.240 nan 0.000 0.522 373 G N 2.358 111.107 108.800 -0.085 0.000 4.220 373 G HA2 -0.063 3.897 3.960 0.001 0.000 0.197 373 G HA3 -0.063 3.897 3.960 0.001 0.000 0.197 373 G C 0.069 174.931 174.900 -0.062 0.000 1.518 373 G CA -0.011 45.040 45.100 -0.082 0.000 0.955 373 G HN 0.777 nan 8.290 nan 0.000 0.353 374 N N 1.378 120.016 118.700 -0.102 0.000 2.443 374 N HA 0.650 5.391 4.740 0.001 0.000 0.294 374 N C 1.491 177.023 175.510 0.037 0.000 1.289 374 N CA 0.755 53.791 53.050 -0.023 0.000 0.966 374 N CB 0.276 38.758 38.487 -0.009 0.000 1.122 374 N HN 0.781 nan 8.380 nan 0.000 0.569 375 A N -1.719 121.197 122.820 0.160 0.000 2.169 375 A HA 0.061 4.382 4.320 0.001 0.000 0.212 375 A C 0.965 178.720 177.584 0.285 0.000 1.153 375 A CA 0.917 53.081 52.037 0.211 0.000 0.756 375 A CB -0.930 18.217 19.000 0.246 0.000 0.813 375 A HN 0.818 nan 8.150 nan 0.000 0.471 376 W N -2.283 119.068 121.300 0.085 0.000 2.576 376 W HA 0.384 5.045 4.660 0.001 0.000 0.236 376 W C -0.505 176.095 176.519 0.136 0.000 0.989 376 W CA -0.246 57.160 57.345 0.101 0.000 1.254 376 W CB -0.162 29.360 29.460 0.104 0.000 0.857 376 W HN -0.012 nan 8.180 nan 0.000 0.662 377 I N 4.776 125.048 120.570 -0.497 0.000 2.278 377 I HA 0.106 4.276 4.170 0.001 0.000 0.296 377 I C -0.295 175.781 176.117 -0.067 0.000 1.121 377 I CA 0.125 61.172 61.300 -0.421 0.000 1.267 377 I CB -0.269 37.335 38.000 -0.660 0.000 1.447 377 I HN -0.158 nan 8.210 nan 0.000 0.509 378 N N 7.146 125.896 118.700 0.085 0.000 2.498 378 N HA 0.315 5.056 4.740 0.001 0.000 0.287 378 N C -0.425 175.237 175.510 0.253 0.000 1.097 378 N CA -0.445 52.695 53.050 0.149 0.000 0.973 378 N CB 2.051 40.623 38.487 0.141 0.000 1.153 378 N HN 0.541 nan 8.380 nan 0.000 0.472 379 M N 2.912 122.675 119.600 0.271 0.000 2.143 379 M HA 0.088 4.569 4.480 0.001 0.000 0.348 379 M C -1.395 175.111 176.300 0.343 0.000 1.375 379 M CA -0.121 55.387 55.300 0.346 0.000 1.124 379 M CB 0.055 32.840 32.600 0.307 0.000 1.669 379 M HN 0.543 nan 8.290 nan 0.000 0.469 380 Y N 7.623 128.044 120.300 0.202 0.000 2.542 380 Y HA 0.359 4.910 4.550 0.001 0.000 0.316 380 Y C -2.385 173.605 175.900 0.151 0.000 1.107 380 Y CA -1.748 56.439 58.100 0.145 0.000 1.233 380 Y CB 0.550 39.110 38.460 0.168 0.000 1.111 380 Y HN 0.550 nan 8.280 nan 0.000 0.613 381 P HA -0.191 nan 4.420 nan 0.000 0.219 381 P C 1.457 178.526 177.300 -0.384 0.000 1.146 381 P CA 1.400 64.178 63.100 -0.537 0.000 0.808 381 P CB 0.364 31.572 31.700 -0.820 0.000 0.779 382 K N 0.134 120.200 120.400 -0.557 0.000 2.160 382 K HA -0.131 4.189 4.320 0.001 0.000 0.206 382 K C 2.191 178.666 176.600 -0.210 0.000 1.047 382 K CA 1.704 57.721 56.287 -0.450 0.000 0.930 382 K CB -1.018 31.088 32.500 -0.656 0.000 0.720 382 K HN 0.099 nan 8.250 nan 0.000 0.450 383 G N 1.541 110.273 108.800 -0.113 0.000 2.442 383 G HA2 -0.261 3.700 3.960 0.001 0.000 0.219 383 G HA3 -0.261 3.700 3.960 0.001 0.000 0.219 383 G C 1.420 176.216 174.900 -0.172 0.000 1.141 383 G CA 0.602 45.817 45.100 0.191 0.000 0.763 383 G HN 0.301 nan 8.290 nan 0.000 0.554 384 L N -0.232 120.662 121.223 -0.548 0.000 2.046 384 L HA -0.112 4.229 4.340 0.001 0.000 0.208 384 L C 2.638 179.401 176.870 -0.179 0.000 1.077 384 L CA 1.910 56.385 54.840 -0.609 0.000 0.747 384 L CB -0.517 41.242 42.059 -0.501 0.000 0.896 384 L HN 0.429 nan 8.230 nan 0.000 0.432 385 H N -0.018 118.953 119.070 -0.166 0.000 2.353 385 H HA -0.204 4.352 4.556 0.000 0.000 0.300 385 H C 1.599 176.909 175.328 -0.029 0.000 1.090 385 H CA 2.012 58.015 56.048 -0.075 0.000 1.327 385 H CB 0.108 29.822 29.762 -0.080 0.000 1.383 385 H HN 0.398 nan 8.280 nan 0.000 0.508 386 D N 0.750 121.117 120.400 -0.054 0.000 2.104 386 D HA -0.127 4.513 4.640 0.001 0.000 0.194 386 D C 2.540 178.813 176.300 -0.046 0.000 0.994 386 D CA 1.163 55.141 54.000 -0.038 0.000 0.830 386 D CB -0.351 40.516 40.800 0.112 0.000 0.959 386 D HN 0.465 nan 8.370 nan 0.000 0.452 387 I N 0.442 121.006 120.570 -0.011 0.000 2.226 387 I HA -0.220 3.950 4.170 0.001 0.000 0.245 387 I C 2.380 178.505 176.117 0.013 0.000 1.100 387 I CA 0.670 61.993 61.300 0.038 0.000 1.374 387 I CB -0.113 37.921 38.000 0.058 0.000 1.057 387 I HN -0.030 nan 8.210 nan 0.000 0.413 388 L N -0.527 120.668 121.223 -0.046 0.000 2.141 388 L HA -0.200 4.140 4.340 0.001 0.000 0.209 388 L C 2.587 179.424 176.870 -0.054 0.000 1.094 388 L CA 0.879 55.702 54.840 -0.028 0.000 0.763 388 L CB -0.405 41.640 42.059 -0.022 0.000 0.908 388 L HN 0.290 nan 8.230 nan 0.000 0.437 389 M N -0.917 118.587 119.600 -0.159 0.000 2.175 389 M HA -0.124 4.356 4.480 0.001 0.000 0.264 389 M C 2.354 178.632 176.300 -0.036 0.000 1.063 389 M CA 1.632 56.848 55.300 -0.140 0.000 1.119 389 M CB -1.407 31.038 32.600 -0.258 0.000 1.377 389 M HN 0.178 nan 8.290 nan 0.000 0.415 390 T N 1.066 115.621 114.554 0.001 0.000 2.684 390 T HA -0.132 4.218 4.350 0.001 0.000 0.267 390 T C 1.945 176.721 174.700 0.126 0.000 1.036 390 T CA 1.271 63.408 62.100 0.062 0.000 1.148 390 T CB -0.064 68.877 68.868 0.121 0.000 0.863 390 T HN 0.213 nan 8.240 nan 0.000 0.436 391 M N 1.018 120.713 119.600 0.159 0.000 2.108 391 M HA -0.053 4.427 4.480 0.001 0.000 0.261 391 M C 2.245 178.633 176.300 0.146 0.000 1.066 391 M CA 1.523 56.946 55.300 0.206 0.000 1.107 391 M CB -0.974 31.705 32.600 0.131 0.000 1.356 391 M HN 0.231 nan 8.290 nan 0.000 0.406 392 K N 0.082 120.529 120.400 0.079 0.000 2.025 392 K HA -0.142 4.178 4.320 0.001 0.000 0.207 392 K C 1.584 178.212 176.600 0.047 0.000 1.049 392 K CA 1.326 57.648 56.287 0.059 0.000 0.933 392 K CB 0.112 32.631 32.500 0.031 0.000 0.714 392 K HN 0.264 nan 8.250 nan 0.000 0.438 393 N N 0.341 119.053 118.700 0.020 0.000 2.409 393 N HA -0.067 4.673 4.740 0.001 0.000 0.174 393 N C 1.400 176.885 175.510 -0.041 0.000 1.037 393 N CA 0.808 53.855 53.050 -0.004 0.000 0.898 393 N CB 0.327 38.807 38.487 -0.012 0.000 1.010 393 N HN 0.246 nan 8.380 nan 0.000 0.445 394 K N -0.727 119.619 120.400 -0.091 0.000 2.287 394 K HA 0.087 4.407 4.320 0.001 0.000 0.199 394 K C 0.184 176.601 176.600 -0.304 0.000 1.061 394 K CA 0.408 56.529 56.287 -0.277 0.000 0.976 394 K CB 0.291 32.490 32.500 -0.501 0.000 0.898 394 K HN -0.026 nan 8.250 nan 0.000 0.492 395 Y N -0.252 120.081 120.300 0.055 0.000 2.660 395 Y HA 0.312 4.862 4.550 0.001 0.000 0.254 395 Y C 0.761 176.710 175.900 0.082 0.000 1.176 395 Y CA -0.050 58.088 58.100 0.064 0.000 1.195 395 Y CB 1.417 39.905 38.460 0.047 0.000 1.190 395 Y HN 0.328 nan 8.280 nan 0.000 0.535 396 G N 0.829 109.734 108.800 0.175 0.000 2.176 396 G HA2 -0.361 3.600 3.960 0.001 0.000 0.253 396 G HA3 -0.361 3.600 3.960 0.001 0.000 0.253 396 G C 0.355 175.340 174.900 0.141 0.000 0.979 396 G CA 0.045 45.235 45.100 0.150 0.000 0.641 396 G HN 0.419 nan 8.290 nan 0.000 0.530 397 N N -0.315 118.469 118.700 0.140 0.000 2.696 397 N HA -0.116 4.624 4.740 0.001 0.000 0.256 397 N C -1.301 174.288 175.510 0.131 0.000 1.031 397 N CA 1.236 54.356 53.050 0.116 0.000 0.730 397 N CB -0.419 38.119 38.487 0.085 0.000 0.894 397 N HN 0.633 nan 8.380 nan 0.000 0.544 398 P HA 0.283 nan 4.420 nan 0.000 0.274 398 P C -2.640 174.749 177.300 0.149 0.000 1.246 398 P CA -1.072 62.156 63.100 0.212 0.000 0.795 398 P CB 0.041 31.926 31.700 0.307 0.000 1.006 399 P HA 0.191 nan 4.420 nan 0.000 0.264 399 P C -0.313 177.033 177.300 0.077 0.000 1.193 399 P CA 0.907 64.061 63.100 0.090 0.000 0.763 399 P CB 0.197 31.985 31.700 0.146 0.000 0.810 400 M N 2.960 122.513 119.600 -0.079 0.000 2.572 400 M HA 0.466 4.946 4.480 0.001 0.000 0.299 400 M C -1.119 174.985 176.300 -0.327 0.000 1.205 400 M CA -0.596 54.677 55.300 -0.045 0.000 0.876 400 M CB 2.144 34.754 32.600 0.016 0.000 1.728 400 M HN 0.231 nan 8.290 nan 0.000 0.458 401 Y N 1.651 121.996 120.300 0.075 0.000 2.425 401 Y HA 0.462 5.012 4.550 0.001 0.000 0.344 401 Y C -0.281 175.671 175.900 0.088 0.000 0.969 401 Y CA -1.059 57.079 58.100 0.064 0.000 1.052 401 Y CB 1.454 39.966 38.460 0.086 0.000 1.215 401 Y HN 0.406 nan 8.280 nan 0.000 0.451 402 I N 3.313 124.027 120.570 0.239 0.000 2.311 402 I HA 0.031 4.202 4.170 0.001 0.000 0.297 402 I C 1.197 177.415 176.117 0.168 0.000 1.131 402 I CA 0.048 61.458 61.300 0.183 0.000 1.289 402 I CB -0.373 37.764 38.000 0.227 0.000 1.446 402 I HN 0.784 nan 8.210 nan 0.000 0.524 403 T N 2.130 116.743 114.554 0.097 0.000 3.088 403 T HA 0.168 4.519 4.350 0.001 0.000 0.259 403 T C 0.579 175.262 174.700 -0.029 0.000 1.122 403 T CA 0.315 62.389 62.100 -0.044 0.000 1.095 403 T CB 0.220 69.005 68.868 -0.138 0.000 0.930 403 T HN 0.560 nan 8.240 nan 0.000 0.508 404 E N 0.687 120.873 120.200 -0.023 0.000 2.352 404 E HA 0.455 4.805 4.350 0.001 0.000 0.280 404 E C -1.414 175.053 176.600 -0.221 0.000 0.930 404 E CA -0.787 55.600 56.400 -0.023 0.000 0.765 404 E CB 1.902 31.598 29.700 -0.007 0.000 1.219 404 E HN 0.203 nan 8.360 nan 0.000 0.434 405 N N 1.552 120.139 118.700 -0.188 0.000 2.554 405 N HA 0.524 5.264 4.740 0.001 0.000 0.271 405 N C -1.241 174.336 175.510 0.112 0.000 1.081 405 N CA -0.149 52.785 53.050 -0.194 0.000 0.994 405 N CB 2.031 40.526 38.487 0.014 0.000 1.641 405 N HN 0.680 nan 8.380 nan 0.000 0.511 406 G N 1.338 110.235 108.800 0.162 0.000 2.321 406 G HA2 0.506 4.467 3.960 0.001 0.000 0.296 406 G HA3 0.506 4.467 3.960 0.001 0.000 0.296 406 G C -1.707 173.132 174.900 -0.102 0.000 1.287 406 G CA -0.531 44.682 45.100 0.190 0.000 0.846 406 G HN 0.698 nan 8.290 nan 0.000 0.508 407 M N -1.380 118.049 119.600 -0.285 0.000 2.682 407 M HA 0.775 5.256 4.480 0.001 0.000 0.272 407 M C -0.316 175.270 176.300 -1.191 0.000 1.232 407 M CA -0.698 54.196 55.300 -0.678 0.000 0.849 407 M CB 1.727 33.789 32.600 -0.897 0.000 1.695 407 M HN 1.387 nan 8.290 nan 0.000 0.481 408 G N 0.183 108.129 108.800 -1.423 0.000 2.416 408 G HA2 0.658 4.619 3.960 0.001 0.000 0.329 408 G HA3 0.658 4.619 3.960 0.001 0.000 0.329 408 G C -1.718 172.864 174.900 -0.530 0.000 1.173 408 G CA -0.420 43.877 45.100 -1.338 0.000 0.929 408 G HN 0.691 nan 8.290 nan 0.000 0.475 409 D N 1.196 121.405 120.400 -0.318 0.000 2.177 409 D HA 0.275 4.915 4.640 0.001 0.000 0.247 409 D C 0.512 176.768 176.300 -0.072 0.000 1.063 409 D CA -0.250 53.663 54.000 -0.145 0.000 0.867 409 D CB 2.108 42.863 40.800 -0.074 0.000 1.168 409 D HN 0.042 nan 8.370 nan 0.000 0.445 410 I N 1.763 122.310 120.570 -0.037 0.000 2.496 410 I HA 0.106 4.276 4.170 0.001 0.000 0.285 410 I C 0.395 176.531 176.117 0.031 0.000 1.080 410 I CA 0.208 61.512 61.300 0.006 0.000 1.404 410 I CB 0.607 38.614 38.000 0.012 0.000 1.403 410 I HN 0.270 nan 8.210 nan 0.000 0.539 411 D N 6.193 126.624 120.400 0.052 0.000 2.402 411 D HA 0.216 4.857 4.640 0.001 0.000 0.252 411 D C -0.127 176.215 176.300 0.071 0.000 1.294 411 D CA -0.397 53.643 54.000 0.067 0.000 0.948 411 D CB 0.903 41.753 40.800 0.083 0.000 1.202 411 D HN 0.414 nan 8.370 nan 0.000 0.561 412 K N 1.401 121.837 120.400 0.060 0.000 2.576 412 K HA 0.381 4.701 4.320 0.001 0.000 0.209 412 K C 0.966 177.600 176.600 0.056 0.000 1.049 412 K CA 0.079 56.403 56.287 0.060 0.000 1.140 412 K CB 0.780 33.311 32.500 0.051 0.000 0.871 412 K HN 0.596 nan 8.250 nan 0.000 0.479 413 G N 1.033 109.869 108.800 0.060 0.000 2.176 413 G HA2 -0.251 3.710 3.960 0.001 0.000 0.232 413 G HA3 -0.251 3.710 3.960 0.001 0.000 0.232 413 G C 0.423 175.351 174.900 0.046 0.000 0.986 413 G CA 0.241 45.373 45.100 0.053 0.000 0.643 413 G HN 0.430 nan 8.290 nan 0.000 0.522 414 D N -0.386 120.041 120.400 0.045 0.000 2.379 414 D HA 0.276 4.917 4.640 0.001 0.000 0.208 414 D C 1.024 177.347 176.300 0.038 0.000 1.065 414 D CA -0.178 53.845 54.000 0.037 0.000 0.848 414 D CB 0.251 41.069 40.800 0.032 0.000 0.949 414 D HN 0.336 nan 8.370 nan 0.000 0.509 415 L N 2.192 123.446 121.223 0.052 0.000 2.283 415 L HA 0.337 4.677 4.340 0.001 0.000 0.287 415 L C -2.145 174.756 176.870 0.051 0.000 1.073 415 L CA -1.640 53.233 54.840 0.054 0.000 0.822 415 L CB 0.873 42.978 42.059 0.078 0.000 1.186 415 L HN -0.157 nan 8.230 nan 0.000 0.436 416 P HA 0.080 nan 4.420 nan 0.000 0.268 416 P C 0.258 177.530 177.300 -0.047 0.000 1.205 416 P CA -0.220 62.877 63.100 -0.005 0.000 0.771 416 P CB 0.642 32.332 31.700 -0.016 0.000 0.858 417 K N 3.432 123.770 120.400 -0.104 0.000 2.063 417 K HA -0.144 4.177 4.320 0.001 0.000 0.208 417 K C -0.896 175.519 176.600 -0.308 0.000 1.048 417 K CA 1.814 57.902 56.287 -0.331 0.000 0.928 417 K CB -1.711 30.557 32.500 -0.387 0.000 0.713 417 K HN 0.444 nan 8.250 nan 0.000 0.442 418 P HA -0.123 nan 4.420 nan 0.000 0.216 418 P C 1.514 178.754 177.300 -0.099 0.000 1.150 418 P CA 0.947 63.969 63.100 -0.130 0.000 0.837 418 P CB 0.064 31.717 31.700 -0.078 0.000 0.786 419 V N 0.004 119.874 119.914 -0.073 0.000 2.379 419 V HA -0.171 3.949 4.120 0.001 0.000 0.245 419 V C 2.454 178.523 176.094 -0.042 0.000 1.044 419 V CA 1.992 64.270 62.300 -0.037 0.000 1.036 419 V CB -1.738 30.077 31.823 -0.013 0.000 0.664 419 V HN 0.084 nan 8.190 nan 0.000 0.453 420 A N 0.001 122.785 122.820 -0.060 0.000 1.972 420 A HA -0.138 4.183 4.320 0.001 0.000 0.219 420 A C 2.171 179.726 177.584 -0.050 0.000 1.169 420 A CA 1.666 53.693 52.037 -0.016 0.000 0.635 420 A CB -0.507 18.534 19.000 0.068 0.000 0.810 420 A HN 0.533 nan 8.150 nan 0.000 0.446 421 L N -0.677 120.462 121.223 -0.140 0.000 2.240 421 L HA -0.040 4.301 4.340 0.001 0.000 0.211 421 L C 1.717 178.526 176.870 -0.103 0.000 1.106 421 L CA 0.909 55.677 54.840 -0.119 0.000 0.793 421 L CB -0.251 41.713 42.059 -0.159 0.000 0.927 421 L HN 0.563 nan 8.230 nan 0.000 0.446 422 E N 2.156 122.295 120.200 -0.101 0.000 2.261 422 E HA -0.039 4.311 4.350 0.001 0.000 0.308 422 E C -0.498 176.004 176.600 -0.164 0.000 1.400 422 E CA -0.444 55.870 56.400 -0.144 0.000 1.542 422 E CB -0.097 29.581 29.700 -0.037 0.000 1.369 422 E HN 0.280 nan 8.360 nan 0.000 0.493 423 D N 1.429 121.721 120.400 -0.181 0.000 2.845 423 D HA -0.016 4.625 4.640 0.001 0.000 0.235 423 D C 0.293 176.516 176.300 -0.128 0.000 1.158 423 D CA -0.371 53.563 54.000 -0.109 0.000 0.990 423 D CB -0.106 40.656 40.800 -0.064 0.000 1.094 423 D HN 0.463 nan 8.370 nan 0.000 0.486 424 H N 0.010 119.064 119.070 -0.027 0.000 2.387 424 H HA -0.116 4.441 4.556 0.001 0.000 0.299 424 H C 1.613 176.919 175.328 -0.037 0.000 1.099 424 H CA 2.172 58.197 56.048 -0.039 0.000 1.315 424 H CB 0.351 30.091 29.762 -0.036 0.000 1.380 424 H HN 0.227 nan 8.280 nan 0.000 0.513 425 T N -0.055 114.548 114.554 0.082 0.000 2.708 425 T HA -0.192 4.159 4.350 0.001 0.000 0.266 425 T C 1.972 176.702 174.700 0.051 0.000 1.037 425 T CA 1.485 63.616 62.100 0.052 0.000 1.146 425 T CB -0.146 68.733 68.868 0.018 0.000 0.865 425 T HN 0.360 nan 8.240 nan 0.000 0.435 426 R N 0.428 120.927 120.500 -0.001 0.000 2.081 426 R HA -0.068 4.273 4.340 0.001 0.000 0.235 426 R C 2.387 178.720 176.300 0.055 0.000 1.131 426 R CA 1.150 57.253 56.100 0.006 0.000 0.960 426 R CB -0.471 29.802 30.300 -0.045 0.000 0.856 426 R HN 0.280 nan 8.270 nan 0.000 0.436 427 L N 1.438 122.650 121.223 -0.018 0.000 2.017 427 L HA -0.152 4.189 4.340 0.001 0.000 0.208 427 L C 1.737 178.510 176.870 -0.161 0.000 1.073 427 L CA 2.378 57.149 54.840 -0.116 0.000 0.745 427 L CB -0.880 41.079 42.059 -0.167 0.000 0.894 427 L HN 0.240 nan 8.230 nan 0.000 0.432 428 D N -1.943 118.415 120.400 -0.071 0.000 2.104 428 D HA -0.322 4.319 4.640 0.001 0.000 0.194 428 D C 2.172 178.481 176.300 0.014 0.000 0.994 428 D CA 1.626 55.586 54.000 -0.068 0.000 0.830 428 D CB -0.362 40.431 40.800 -0.011 0.000 0.959 428 D HN 0.486 nan 8.370 nan 0.000 0.452 429 Y N 0.781 121.081 120.300 -0.000 0.000 2.081 429 Y HA -0.212 4.338 4.550 0.001 0.000 0.280 429 Y C 2.126 178.137 175.900 0.185 0.000 1.163 429 Y CA 1.868 60.042 58.100 0.124 0.000 1.135 429 Y CB -0.404 38.115 38.460 0.098 0.000 0.970 429 Y HN 0.063 nan 8.280 nan 0.000 0.498 430 I N 0.069 120.807 120.570 0.281 0.000 2.163 430 I HA -0.390 3.781 4.170 0.001 0.000 0.243 430 I C 2.453 178.517 176.117 -0.089 0.000 1.085 430 I CA 1.851 63.241 61.300 0.151 0.000 1.347 430 I CB -0.579 37.495 38.000 0.125 0.000 1.044 430 I HN 0.341 nan 8.210 nan 0.000 0.408 431 Q N 0.266 119.900 119.800 -0.276 0.000 2.096 431 Q HA -0.219 4.121 4.340 0.001 0.000 0.204 431 Q C 2.377 178.268 176.000 -0.181 0.000 0.982 431 Q CA 1.543 57.123 55.803 -0.372 0.000 0.850 431 Q CB -0.154 28.260 28.738 -0.541 0.000 0.901 431 Q HN 0.460 nan 8.270 nan 0.000 0.422 432 R N -0.796 119.615 120.500 -0.148 0.000 2.115 432 R HA -0.079 4.261 4.340 0.001 0.000 0.226 432 R C 1.848 178.025 176.300 -0.206 0.000 1.100 432 R CA 1.103 57.098 56.100 -0.174 0.000 0.980 432 R CB -0.093 30.074 30.300 -0.222 0.000 0.875 432 R HN 0.395 nan 8.270 nan 0.000 0.445 433 H N 0.351 119.327 119.070 -0.156 0.000 2.395 433 H HA 0.009 4.566 4.556 0.001 0.000 0.299 433 H C 1.966 177.280 175.328 -0.023 0.000 1.070 433 H CA 1.111 57.110 56.048 -0.080 0.000 1.356 433 H CB 0.015 29.753 29.762 -0.040 0.000 1.401 433 H HN 0.038 nan 8.280 nan 0.000 0.524 434 L N -0.641 120.588 121.223 0.010 0.000 2.083 434 L HA -0.201 4.140 4.340 0.001 0.000 0.209 434 L C 2.574 179.615 176.870 0.286 0.000 1.083 434 L CA 1.338 56.222 54.840 0.074 0.000 0.752 434 L CB -0.438 41.595 42.059 -0.045 0.000 0.899 434 L HN 0.282 nan 8.230 nan 0.000 0.433 435 S N -0.279 115.527 115.700 0.176 0.000 2.368 435 S HA -0.142 4.328 4.470 0.001 0.000 0.225 435 S C 1.954 176.629 174.600 0.125 0.000 1.030 435 S CA 1.311 59.656 58.200 0.241 0.000 0.999 435 S CB -0.120 63.167 63.200 0.145 0.000 0.844 435 S HN 0.185 nan 8.310 nan 0.000 0.459 436 V N 1.952 121.886 119.914 0.034 0.000 2.427 436 V HA -0.079 4.041 4.120 0.001 0.000 0.248 436 V C 2.409 178.555 176.094 0.085 0.000 1.051 436 V CA 1.544 63.841 62.300 -0.005 0.000 1.048 436 V CB -0.617 31.150 31.823 -0.094 0.000 0.666 436 V HN 0.491 nan 8.190 nan 0.000 0.456 437 L N 0.069 121.392 121.223 0.166 0.000 2.046 437 L HA -0.207 4.133 4.340 0.001 0.000 0.208 437 L C 2.664 179.661 176.870 0.212 0.000 1.077 437 L CA 1.936 56.923 54.840 0.245 0.000 0.747 437 L CB -0.343 41.935 42.059 0.364 0.000 0.896 437 L HN 0.344 nan 8.230 nan 0.000 0.432 438 K N 0.320 120.817 120.400 0.162 0.000 2.032 438 K HA -0.236 4.084 4.320 0.001 0.000 0.209 438 K C 1.974 178.524 176.600 -0.083 0.000 1.048 438 K CA 1.717 57.937 56.287 -0.113 0.000 0.927 438 K CB -0.259 32.143 32.500 -0.164 0.000 0.712 438 K HN 0.345 nan 8.250 nan 0.000 0.441 439 Q N -0.245 119.533 119.800 -0.037 0.000 2.096 439 Q HA -0.111 4.229 4.340 0.001 0.000 0.204 439 Q C 2.191 178.214 176.000 0.039 0.000 0.982 439 Q CA 1.893 57.668 55.803 -0.047 0.000 0.850 439 Q CB -0.089 28.599 28.738 -0.083 0.000 0.901 439 Q HN 0.308 nan 8.270 nan 0.000 0.422 440 S N 0.686 116.455 115.700 0.116 0.000 2.368 440 S HA -0.079 4.391 4.470 0.001 0.000 0.224 440 S C 1.934 176.591 174.600 0.095 0.000 1.029 440 S CA 0.839 59.136 58.200 0.161 0.000 0.988 440 S CB -0.123 63.171 63.200 0.157 0.000 0.838 440 S HN 0.276 nan 8.310 nan 0.000 0.462 441 I N 1.677 122.295 120.570 0.081 0.000 2.315 441 I HA -0.170 4.000 4.170 0.001 0.000 0.248 441 I C 1.796 177.926 176.117 0.021 0.000 1.117 441 I CA 1.023 62.364 61.300 0.068 0.000 1.404 441 I CB -0.316 37.731 38.000 0.079 0.000 1.071 441 I HN 0.143 nan 8.210 nan 0.000 0.419 442 D N 0.722 121.110 120.400 -0.021 0.000 2.218 442 D HA -0.095 4.545 4.640 0.001 0.000 0.204 442 D C 2.016 178.312 176.300 -0.007 0.000 0.976 442 D CA 1.150 55.126 54.000 -0.041 0.000 0.853 442 D CB -0.082 40.664 40.800 -0.089 0.000 0.939 442 D HN 0.305 nan 8.370 nan 0.000 0.481 443 L N -0.800 120.437 121.223 0.024 0.000 2.599 443 L HA 0.182 4.522 4.340 0.001 0.000 0.230 443 L C 1.448 178.341 176.870 0.038 0.000 1.141 443 L CA 0.376 55.241 54.840 0.041 0.000 0.877 443 L CB 0.118 42.230 42.059 0.088 0.000 1.009 443 L HN 0.147 nan 8.230 nan 0.000 0.447 444 G N -0.572 108.250 108.800 0.038 0.000 2.179 444 G HA2 -0.226 3.735 3.960 0.001 0.000 0.220 444 G HA3 -0.226 3.735 3.960 0.001 0.000 0.220 444 G C 0.392 175.322 174.900 0.050 0.000 0.990 444 G CA -0.167 44.958 45.100 0.040 0.000 0.646 444 G HN 0.439 nan 8.290 nan 0.000 0.517 445 A N 0.370 123.223 122.820 0.055 0.000 2.488 445 A HA 0.488 4.809 4.320 0.001 0.000 0.249 445 A C 0.525 178.155 177.584 0.077 0.000 1.083 445 A CA 0.765 52.838 52.037 0.062 0.000 0.768 445 A CB 0.334 19.370 19.000 0.060 0.000 1.017 445 A HN 0.353 nan 8.150 nan 0.000 0.496 446 D N 2.794 123.234 120.400 0.067 0.000 2.845 446 D HA 0.288 4.929 4.640 0.001 0.000 0.235 446 D C -0.374 175.941 176.300 0.025 0.000 1.158 446 D CA 0.132 54.167 54.000 0.059 0.000 0.990 446 D CB -0.393 40.441 40.800 0.056 0.000 1.094 446 D HN 0.130 nan 8.370 nan 0.000 0.486 447 V N 2.580 122.538 119.914 0.074 0.000 2.509 447 V HA 0.359 4.480 4.120 0.001 0.000 0.284 447 V C 1.444 177.555 176.094 0.028 0.000 1.047 447 V CA -0.403 61.920 62.300 0.039 0.000 0.952 447 V CB 1.742 33.684 31.823 0.197 0.000 0.988 447 V HN 0.282 nan 8.190 nan 0.000 0.469 448 R N 2.435 122.650 120.500 -0.475 0.000 2.509 448 R HA 0.456 4.797 4.340 0.001 0.000 0.297 448 R C 0.500 176.004 176.300 -1.326 0.000 0.951 448 R CA 0.250 55.937 56.100 -0.689 0.000 1.103 448 R CB 1.484 31.396 30.300 -0.647 0.000 1.283 448 R HN 0.859 nan 8.270 nan 0.000 0.534 449 G N 0.225 108.202 108.800 -1.372 0.000 2.466 449 G HA2 0.304 4.265 3.960 0.001 0.000 0.291 449 G HA3 0.304 4.265 3.960 0.001 0.000 0.291 449 G C -2.403 172.227 174.900 -0.449 0.000 1.460 449 G CA -0.545 43.806 45.100 -1.249 0.000 0.791 449 G HN 0.056 nan 8.290 nan 0.000 0.505 450 Y N 0.024 119.970 120.300 -0.590 0.000 2.396 450 Y HA 0.740 5.291 4.550 0.001 0.000 0.332 450 Y C -1.933 173.793 175.900 -0.289 0.000 1.034 450 Y CA -1.454 56.538 58.100 -0.180 0.000 1.057 450 Y CB 1.714 40.146 38.460 -0.047 0.000 1.220 450 Y HN 0.449 nan 8.280 nan 0.000 0.440 451 F N 5.008 124.657 119.950 -0.501 0.000 2.460 451 F HA 0.714 5.242 4.527 0.001 0.000 0.341 451 F C 0.274 175.803 175.800 -0.452 0.000 1.130 451 F CA -0.861 56.956 58.000 -0.304 0.000 0.962 451 F CB 1.715 40.618 39.000 -0.161 0.000 1.171 451 F HN 0.708 nan 8.300 nan 0.000 0.436 452 A N 4.342 127.131 122.820 -0.053 0.000 2.488 452 A HA 0.094 4.414 4.320 0.001 0.000 0.249 452 A C -0.726 176.969 177.584 0.184 0.000 1.083 452 A CA -0.341 51.745 52.037 0.081 0.000 0.768 452 A CB 0.214 19.353 19.000 0.231 0.000 1.017 452 A HN 0.875 nan 8.150 nan 0.000 0.496 453 W N 3.873 125.224 121.300 0.085 0.000 2.316 453 W HA 0.500 5.160 4.660 0.000 0.000 0.308 453 W C -0.369 176.293 176.519 0.237 0.000 1.106 453 W CA -0.158 57.281 57.345 0.156 0.000 1.262 453 W CB 1.470 31.056 29.460 0.210 0.000 1.233 453 W HN 0.694 nan 8.180 nan 0.000 0.447 454 S N 4.967 120.489 115.700 -0.297 0.000 2.634 454 S HA 0.302 4.773 4.470 0.001 0.000 0.296 454 S C 0.773 175.202 174.600 -0.286 0.000 1.104 454 S CA -0.834 56.911 58.200 -0.759 0.000 0.920 454 S CB 1.674 64.051 63.200 -1.372 0.000 1.111 454 S HN 0.627 nan 8.310 nan 0.000 0.493 455 L N 1.474 122.568 121.223 -0.215 0.000 2.042 455 L HA 0.130 4.470 4.340 0.001 0.000 0.210 455 L C -0.421 176.383 176.870 -0.110 0.000 1.076 455 L CA 1.541 56.330 54.840 -0.085 0.000 0.749 455 L CB -0.175 41.869 42.059 -0.025 0.000 0.893 455 L HN 0.563 nan 8.230 nan 0.000 0.432 456 L N -0.361 120.757 121.223 -0.174 0.000 2.388 456 L HA 0.342 4.682 4.340 0.001 0.000 0.264 456 L C -0.789 176.005 176.870 -0.128 0.000 0.998 456 L CA -1.157 53.609 54.840 -0.124 0.000 0.817 456 L CB 1.734 43.732 42.059 -0.102 0.000 1.338 456 L HN -0.159 nan 8.230 nan 0.000 0.414 457 D N 2.880 123.234 120.400 -0.078 0.000 2.488 457 D HA 0.133 4.774 4.640 0.001 0.000 0.238 457 D C -0.420 175.871 176.300 -0.016 0.000 1.138 457 D CA 0.609 54.585 54.000 -0.040 0.000 0.873 457 D CB 0.434 41.173 40.800 -0.102 0.000 1.183 457 D HN 0.658 nan 8.370 nan 0.000 0.458 458 N N 0.285 119.007 118.700 0.038 0.000 3.344 458 N HA 0.200 4.940 4.740 0.001 0.000 0.296 458 N C -1.055 174.476 175.510 0.035 0.000 1.571 458 N CA -0.794 52.289 53.050 0.055 0.000 0.844 458 N CB 0.597 39.031 38.487 -0.088 0.000 1.718 458 N HN 0.181 nan 8.380 nan 0.000 0.589 459 F N 1.582 121.358 119.950 -0.291 0.000 2.487 459 F HA 0.139 4.666 4.527 0.001 0.000 0.364 459 F C 0.756 176.166 175.800 -0.649 0.000 1.126 459 F CA -0.247 57.324 58.000 -0.715 0.000 1.135 459 F CB 0.298 38.898 39.000 -0.667 0.000 1.127 459 F HN 0.578 nan 8.300 nan 0.000 0.559 460 E N 7.231 126.940 120.200 -0.818 0.000 2.261 460 E HA 0.156 4.507 4.350 0.001 0.000 0.308 460 E C -0.096 176.134 176.600 -0.616 0.000 1.400 460 E CA 0.015 56.047 56.400 -0.613 0.000 1.542 460 E CB -0.514 29.078 29.700 -0.180 0.000 1.369 460 E HN 0.721 nan 8.360 nan 0.000 0.493 461 W N 0.508 121.352 121.300 -0.761 0.000 2.047 461 W HA -0.460 4.201 4.660 0.000 0.000 0.283 461 W C 1.836 178.166 176.519 -0.315 0.000 1.201 461 W CA 1.105 58.143 57.345 -0.513 0.000 1.140 461 W CB -1.620 27.757 29.460 -0.138 0.000 0.885 461 W HN 0.232 nan 8.180 nan 0.000 0.538 462 S N -0.017 115.928 115.700 0.409 0.000 2.555 462 S HA -0.034 4.436 4.470 0.001 0.000 0.230 462 S C 1.210 175.905 174.600 0.159 0.000 0.978 462 S CA 1.068 59.493 58.200 0.376 0.000 0.934 462 S CB -0.286 63.178 63.200 0.440 0.000 0.766 462 S HN 0.357 nan 8.310 nan 0.000 0.533 463 S N 0.755 116.475 115.700 0.033 0.000 2.558 463 S HA 0.339 4.809 4.470 0.001 0.000 0.217 463 S C 1.563 176.077 174.600 -0.143 0.000 0.975 463 S CA 0.267 58.466 58.200 -0.001 0.000 0.912 463 S CB -0.214 63.025 63.200 0.064 0.000 0.776 463 S HN 0.729 nan 8.310 nan 0.000 0.526 464 G N 1.557 110.083 108.800 -0.457 0.000 2.596 464 G HA2 -0.342 3.618 3.960 0.001 0.000 0.295 464 G HA3 -0.342 3.618 3.960 0.001 0.000 0.295 464 G C 0.200 174.739 174.900 -0.603 0.000 1.240 464 G CA 0.670 45.393 45.100 -0.628 0.000 0.985 464 G HN 0.496 nan 8.290 nan 0.000 0.555 465 Y N 1.768 122.077 120.300 0.015 0.000 2.461 465 Y HA 0.257 4.807 4.550 0.001 0.000 0.277 465 Y C 2.913 178.830 175.900 0.028 0.000 1.182 465 Y CA 1.210 59.326 58.100 0.027 0.000 1.276 465 Y CB 0.069 38.564 38.460 0.057 0.000 1.087 465 Y HN 0.663 nan 8.280 nan 0.000 0.519 466 T N -2.562 112.054 114.554 0.103 0.000 3.113 466 T HA -0.020 4.330 4.350 0.001 0.000 0.263 466 T C 0.364 175.118 174.700 0.090 0.000 1.143 466 T CA 0.474 62.632 62.100 0.097 0.000 1.090 466 T CB -0.151 68.766 68.868 0.082 0.000 0.922 466 T HN 0.277 nan 8.240 nan 0.000 0.521 467 E N 0.797 121.062 120.200 0.107 0.000 2.218 467 E HA 0.441 4.791 4.350 0.001 0.000 0.263 467 E C -0.892 175.820 176.600 0.186 0.000 0.879 467 E CA -0.674 55.809 56.400 0.137 0.000 0.762 467 E CB 1.801 31.664 29.700 0.272 0.000 1.166 467 E HN 0.228 nan 8.360 nan 0.000 0.415 468 R N 2.656 123.204 120.500 0.080 0.000 2.215 468 R HA 0.283 4.623 4.340 0.001 0.000 0.336 468 R C -0.219 176.105 176.300 0.039 0.000 0.996 468 R CA -0.220 55.934 56.100 0.090 0.000 0.847 468 R CB 0.547 30.871 30.300 0.040 0.000 1.127 468 R HN 0.530 nan 8.270 nan 0.000 0.465 469 F N 0.374 120.327 119.950 0.006 0.000 2.695 469 F HA 0.235 4.762 4.527 0.001 0.000 0.303 469 F C 1.608 177.377 175.800 -0.052 0.000 1.091 469 F CA -0.268 57.746 58.000 0.025 0.000 1.300 469 F CB 0.721 39.824 39.000 0.172 0.000 1.071 469 F HN 0.571 nan 8.300 nan 0.000 0.578 470 G N 0.940 109.779 108.800 0.065 0.000 2.527 470 G HA2 0.296 4.256 3.960 0.001 0.000 0.248 470 G HA3 0.296 4.256 3.960 0.001 0.000 0.248 470 G C 1.162 176.073 174.900 0.018 0.000 1.231 470 G CA -0.395 44.700 45.100 -0.008 0.000 0.838 470 G HN 0.406 nan 8.290 nan 0.000 0.570 471 I N -1.045 119.534 120.570 0.015 0.000 3.251 471 I HA 0.208 4.379 4.170 0.001 0.000 0.277 471 I C -0.213 175.924 176.117 0.034 0.000 1.268 471 I CA 0.076 61.398 61.300 0.037 0.000 1.449 471 I CB -0.087 37.948 38.000 0.059 0.000 1.083 471 I HN -0.007 nan 8.210 nan 0.000 0.464 472 V N 1.273 121.200 119.914 0.022 0.000 2.487 472 V HA 0.268 4.388 4.120 0.001 0.000 0.298 472 V C -0.753 175.380 176.094 0.066 0.000 1.028 472 V CA -0.728 61.594 62.300 0.037 0.000 0.860 472 V CB 1.419 33.242 31.823 -0.001 0.000 0.991 472 V HN 0.185 nan 8.190 nan 0.000 0.427 473 Y N 4.810 125.096 120.300 -0.025 0.000 2.442 473 Y HA 0.444 4.995 4.550 0.001 0.000 0.330 473 Y C -0.065 175.824 175.900 -0.019 0.000 1.129 473 Y CA 0.171 58.260 58.100 -0.018 0.000 1.365 473 Y CB 1.107 39.555 38.460 -0.019 0.000 1.233 473 Y HN 0.412 nan 8.280 nan 0.000 0.529 474 V N 6.583 126.234 119.914 -0.438 0.000 2.384 474 V HA 0.147 4.268 4.120 0.001 0.000 0.287 474 V C -0.679 175.119 176.094 -0.493 0.000 1.020 474 V CA -0.889 61.224 62.300 -0.313 0.000 0.850 474 V CB 1.435 33.141 31.823 -0.194 0.000 0.987 474 V HN 0.701 nan 8.190 nan 0.000 0.436 475 D N 4.298 124.584 120.400 -0.190 0.000 2.479 475 D HA 0.257 4.897 4.640 0.001 0.000 0.218 475 D C 1.255 177.505 176.300 -0.084 0.000 1.131 475 D CA -0.310 53.650 54.000 -0.067 0.000 0.916 475 D CB 0.700 41.610 40.800 0.183 0.000 1.022 475 D HN 0.401 nan 8.370 nan 0.000 0.515 476 R N 1.874 122.285 120.500 -0.150 0.000 2.148 476 R HA -0.093 4.247 4.340 0.001 0.000 0.227 476 R C 1.820 178.064 176.300 -0.094 0.000 1.103 476 R CA 0.875 56.882 56.100 -0.154 0.000 0.983 476 R CB 0.104 30.244 30.300 -0.268 0.000 0.874 476 R HN 0.580 nan 8.270 nan 0.000 0.451 477 E N 0.720 120.885 120.200 -0.058 0.000 2.204 477 E HA -0.134 4.216 4.350 0.001 0.000 0.194 477 E C 0.082 176.673 176.600 -0.015 0.000 0.989 477 E CA 0.921 57.305 56.400 -0.027 0.000 0.824 477 E CB 0.017 29.715 29.700 -0.003 0.000 0.756 477 E HN 0.176 nan 8.360 nan 0.000 0.477 478 N N 0.575 119.269 118.700 -0.009 0.000 2.818 478 N HA 0.174 4.914 4.740 0.001 0.000 0.301 478 N C -0.126 175.377 175.510 -0.012 0.000 1.821 478 N CA 0.467 53.515 53.050 -0.003 0.000 0.930 478 N CB 1.128 39.623 38.487 0.015 0.000 1.263 478 N HN 0.338 nan 8.380 nan 0.000 0.487 479 G N 0.290 109.076 108.800 -0.023 0.000 2.203 479 G HA2 -0.367 3.593 3.960 0.001 0.000 0.263 479 G HA3 -0.367 3.593 3.960 0.001 0.000 0.263 479 G C 0.666 175.551 174.900 -0.025 0.000 1.012 479 G CA 0.091 45.176 45.100 -0.025 0.000 0.749 479 G HN 0.604 nan 8.290 nan 0.000 0.512 480 C N -0.530 118.747 119.300 -0.038 0.000 4.356 480 C HA -0.161 4.300 4.460 0.001 0.000 0.296 480 C C 1.187 176.160 174.990 -0.029 0.000 1.424 480 C CA 1.013 60.002 59.018 -0.049 0.000 2.000 480 C CB -2.208 25.507 27.740 -0.041 0.000 1.262 480 C HN 1.228 nan 8.230 nan 0.000 0.789 481 E N 0.711 120.905 120.200 -0.010 0.000 2.414 481 E HA 0.299 4.649 4.350 0.001 0.000 0.263 481 E C 0.270 176.886 176.600 0.027 0.000 1.000 481 E CA 0.136 56.540 56.400 0.006 0.000 0.914 481 E CB 0.558 30.267 29.700 0.016 0.000 0.948 481 E HN 0.521 nan 8.360 nan 0.000 0.444 482 R N 2.434 122.944 120.500 0.017 0.000 2.407 482 R HA 0.388 4.728 4.340 0.001 0.000 0.303 482 R C -0.921 175.409 176.300 0.051 0.000 0.981 482 R CA -0.271 55.848 56.100 0.031 0.000 0.905 482 R CB 2.148 32.443 30.300 -0.007 0.000 1.099 482 R HN 0.467 nan 8.270 nan 0.000 0.459 483 T N 3.351 117.965 114.554 0.100 0.000 2.879 483 T HA 0.321 4.672 4.350 0.001 0.000 0.290 483 T C -0.005 174.730 174.700 0.059 0.000 0.993 483 T CA -0.768 61.371 62.100 0.065 0.000 0.975 483 T CB 1.100 69.997 68.868 0.049 0.000 0.981 483 T HN 0.344 nan 8.240 nan 0.000 0.439 484 M N 3.437 123.049 119.600 0.020 0.000 2.260 484 M HA 0.118 4.598 4.480 0.001 0.000 0.348 484 M C 0.692 176.999 176.300 0.011 0.000 1.342 484 M CA 0.463 55.772 55.300 0.015 0.000 1.040 484 M CB 0.317 32.917 32.600 0.000 0.000 1.810 484 M HN 0.427 nan 8.290 nan 0.000 0.453 485 K N 1.793 122.206 120.400 0.021 0.000 2.155 485 K HA 0.212 4.532 4.320 0.001 0.000 0.237 485 K C 1.008 177.600 176.600 -0.014 0.000 1.040 485 K CA -0.680 55.606 56.287 -0.003 0.000 0.912 485 K CB 0.679 33.186 32.500 0.012 0.000 1.137 485 K HN 0.559 nan 8.250 nan 0.000 0.498 486 R N 0.959 121.426 120.500 -0.054 0.000 2.096 486 R HA -0.170 4.170 4.340 0.001 0.000 0.235 486 R C 2.110 178.416 176.300 0.010 0.000 1.127 486 R CA 2.211 58.275 56.100 -0.059 0.000 0.968 486 R CB -0.243 29.942 30.300 -0.192 0.000 0.861 486 R HN 0.775 nan 8.270 nan 0.000 0.440 487 S N 0.302 116.005 115.700 0.003 0.000 2.359 487 S HA -0.168 4.302 4.470 0.001 0.000 0.224 487 S C 2.193 176.877 174.600 0.140 0.000 1.035 487 S CA 1.133 59.379 58.200 0.077 0.000 1.018 487 S CB -0.496 62.735 63.200 0.050 0.000 0.876 487 S HN 0.464 nan 8.310 nan 0.000 0.448 488 A N 2.479 125.348 122.820 0.082 0.000 1.902 488 A HA -0.033 4.287 4.320 0.001 0.000 0.217 488 A C 2.371 179.987 177.584 0.054 0.000 1.181 488 A CA 1.201 53.277 52.037 0.065 0.000 0.623 488 A CB -0.534 18.486 19.000 0.033 0.000 0.818 488 A HN 0.384 nan 8.150 nan 0.000 0.443 489 R N -1.647 118.886 120.500 0.055 0.000 2.096 489 R HA -0.180 4.160 4.340 0.001 0.000 0.235 489 R C 1.876 178.212 176.300 0.061 0.000 1.127 489 R CA 1.416 57.540 56.100 0.040 0.000 0.968 489 R CB -1.029 29.293 30.300 0.036 0.000 0.861 489 R HN 0.832 nan 8.270 nan 0.000 0.440 490 W N 1.358 122.636 121.300 -0.038 0.000 2.381 490 W HA -0.107 4.554 4.660 0.001 0.000 0.301 490 W C 1.823 178.325 176.519 -0.028 0.000 1.205 490 W CA 1.162 58.484 57.345 -0.037 0.000 1.285 490 W CB -0.383 29.042 29.460 -0.058 0.000 1.133 490 W HN -0.032 nan 8.180 nan 0.000 0.521 491 L N 0.410 121.635 121.223 0.003 0.000 2.083 491 L HA -0.270 4.070 4.340 0.001 0.000 0.209 491 L C 2.749 179.507 176.870 -0.187 0.000 1.083 491 L CA 1.975 56.705 54.840 -0.183 0.000 0.752 491 L CB -1.024 41.046 42.059 0.018 0.000 0.899 491 L HN 0.163 nan 8.230 nan 0.000 0.433 492 Q N 0.375 120.104 119.800 -0.118 0.000 2.084 492 Q HA -0.250 4.091 4.340 0.001 0.000 0.202 492 Q C 1.990 177.891 176.000 -0.164 0.000 0.978 492 Q CA 1.825 57.564 55.803 -0.106 0.000 0.844 492 Q CB 0.044 28.744 28.738 -0.064 0.000 0.898 492 Q HN 0.533 nan 8.270 nan 0.000 0.426 493 E N -0.198 119.870 120.200 -0.220 0.000 2.077 493 E HA -0.184 4.166 4.350 0.001 0.000 0.193 493 E C 1.703 178.092 176.600 -0.351 0.000 0.989 493 E CA 1.223 57.470 56.400 -0.256 0.000 0.800 493 E CB -0.261 29.289 29.700 -0.250 0.000 0.746 493 E HN 0.390 nan 8.360 nan 0.000 0.452 494 F N 2.228 121.722 119.950 -0.760 0.000 2.095 494 F HA -0.181 4.346 4.527 0.001 0.000 0.298 494 F C 1.737 177.209 175.800 -0.547 0.000 1.104 494 F CA 1.318 58.812 58.000 -0.842 0.000 1.232 494 F CB 0.006 38.164 39.000 -1.404 0.000 0.987 494 F HN -0.080 nan 8.300 nan 0.000 0.475 495 N N 0.704 119.227 118.700 -0.295 0.000 2.515 495 N HA 0.134 4.875 4.740 0.001 0.000 0.185 495 N C 0.940 176.313 175.510 -0.228 0.000 1.109 495 N CA 1.072 53.965 53.050 -0.262 0.000 0.903 495 N CB -0.301 38.129 38.487 -0.095 0.000 0.969 495 N HN 0.523 nan 8.380 nan 0.000 0.450 496 G N 0.000 108.662 108.800 -0.230 0.000 5.446 496 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 496 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 496 G CA 0.000 44.997 45.100 -0.172 0.000 0.502 496 G HN 0.000 nan 8.290 nan 0.000 0.925