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 1jgi_1_A DATA FIRST_RESID 1 DATA SEQUENCE SPNSQYLKTR ILDIYTPEQR AGIEKSEDWR QFSRRMDTHF PKLMNELDSV DATA SEQUENCE YGNNEALLPM LEMLLAQAWQ SYSQRNSSLK DIDIARENNP DWILSNKQVG DATA SEQUENCE GVCYVDLFAG DLKGLKDKIP YFQELGLTYL YLMPLFKCPE GKSDGGYAVS DATA SEQUENCE SYRDVNPALG TIGDLREVIA ALHEAGISAV VDFIFNHTSN EHEWAQRCAA DATA SEQUENCE GDPLFDNFYY IFPDRRMPDQ YDRTLREIFP DQHPGGFSQL EDGRWVWTTF DATA SEQUENCE NSFQWDLNYS NPWVFRAMAG EMLFLANLGV DILRMDAVAF IWKQMGTSCE DATA SEQUENCE NLPQAHALIR AFNAVMRIAA PAVFFKSQAI VHPDQVVQYI GQDECQIGYN DATA SEQUENCE PLQMALLWNT LATREVNLLH QALTYRHNLP EHTAWVNYVR SHDDIGWTFA DATA SEQUENCE DEDAAYLGIS GYDHRQFLNR FFVNRFDGSF ARGVPFQYNP STGDCRVSGT DATA SEQUENCE AAALVGLAQD DPHAVDRIKL LYSIALSTGG LPLIYLGDEV GTLNDDDWSQ DATA SEQUENCE DSNKSDDSRW AHRPRYNEAL YAQRNDPSTA AGQIYQDLRH MIAVRQSNPR DATA SEQUENCE FDGGRLVTFN TNNKHIIGYI RNNALLAFGN FSEYPQTVTA HTLQAMPFKA DATA SEQUENCE HDLIGGKTVS LNQDLTLQPY QVMWLEIA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.640 174.600 0.067 0.000 1.055 1 S CA 0.000 58.223 58.200 0.039 0.000 1.107 1 S CB 0.000 63.223 63.200 0.039 0.000 0.593 2 P HA 0.400 nan 4.420 nan 0.000 0.274 2 P C -0.969 176.477 177.300 0.243 0.000 1.231 2 P CA -0.416 62.776 63.100 0.153 0.000 0.790 2 P CB 0.176 32.036 31.700 0.268 0.000 0.951 3 N N -1.365 117.437 118.700 0.170 0.000 2.483 3 N HA 0.158 4.899 4.740 0.001 0.000 0.285 3 N C 0.949 176.405 175.510 -0.090 0.000 1.210 3 N CA -0.744 52.391 53.050 0.142 0.000 0.931 3 N CB 0.660 39.203 38.487 0.095 0.000 1.220 3 N HN 0.275 nan 8.380 nan 0.000 0.542 4 S N -0.488 115.106 115.700 -0.176 0.000 2.359 4 S HA -0.326 4.145 4.470 0.001 0.000 0.223 4 S C 1.618 176.093 174.600 -0.208 0.000 1.039 4 S CA 1.841 59.806 58.200 -0.391 0.000 1.042 4 S CB -0.575 62.523 63.200 -0.169 0.000 0.915 4 S HN 0.727 nan 8.310 nan 0.000 0.439 5 Q N -1.147 118.611 119.800 -0.070 0.000 2.096 5 Q HA -0.219 4.122 4.340 0.001 0.000 0.204 5 Q C 2.012 178.027 176.000 0.024 0.000 0.982 5 Q CA 2.088 57.884 55.803 -0.011 0.000 0.850 5 Q CB -0.443 28.308 28.738 0.022 0.000 0.901 5 Q HN 0.807 nan 8.270 nan 0.000 0.422 6 Y N 0.681 120.942 120.300 -0.065 0.000 2.145 6 Y HA -0.204 4.346 4.550 0.001 0.000 0.286 6 Y C 1.723 177.594 175.900 -0.050 0.000 1.145 6 Y CA 1.748 59.822 58.100 -0.043 0.000 1.148 6 Y CB -0.347 38.091 38.460 -0.036 0.000 0.981 6 Y HN 0.118 nan 8.280 nan 0.000 0.507 7 L N 0.194 121.250 121.223 -0.278 0.000 2.083 7 L HA -0.227 4.114 4.340 0.001 0.000 0.209 7 L C 2.411 179.159 176.870 -0.202 0.000 1.083 7 L CA 1.655 56.285 54.840 -0.350 0.000 0.752 7 L CB -0.534 41.335 42.059 -0.318 0.000 0.899 7 L HN 0.176 nan 8.230 nan 0.000 0.433 8 K N -0.340 120.000 120.400 -0.100 0.000 2.148 8 K HA -0.141 4.180 4.320 0.001 0.000 0.204 8 K C 2.166 178.819 176.600 0.087 0.000 1.050 8 K CA 1.812 58.170 56.287 0.119 0.000 0.942 8 K CB -0.277 32.332 32.500 0.182 0.000 0.724 8 K HN 0.479 nan 8.250 nan 0.000 0.446 9 T N -0.857 113.671 114.554 -0.043 0.000 2.833 9 T HA -0.120 4.230 4.350 0.001 0.000 0.269 9 T C 1.906 176.534 174.700 -0.120 0.000 1.054 9 T CA 0.858 62.914 62.100 -0.073 0.000 1.135 9 T CB -0.098 68.724 68.868 -0.077 0.000 0.869 9 T HN 0.161 nan 8.240 nan 0.000 0.466 10 R N 0.164 120.546 120.500 -0.197 0.000 2.161 10 R HA 0.353 4.694 4.340 0.001 0.000 0.213 10 R C 2.446 178.702 176.300 -0.073 0.000 1.055 10 R CA 0.690 56.689 56.100 -0.168 0.000 0.996 10 R CB -0.340 29.796 30.300 -0.274 0.000 0.901 10 R HN 0.425 nan 8.270 nan 0.000 0.456 11 I N 0.807 121.364 120.570 -0.021 0.000 2.252 11 I HA -0.262 3.908 4.170 0.001 0.000 0.245 11 I C 1.749 177.863 176.117 -0.004 0.000 1.102 11 I CA 1.328 62.659 61.300 0.052 0.000 1.385 11 I CB -0.102 38.009 38.000 0.186 0.000 1.064 11 I HN 0.159 nan 8.210 nan 0.000 0.414 12 L N 0.162 121.336 121.223 -0.081 0.000 2.551 12 L HA -0.118 4.222 4.340 0.001 0.000 0.228 12 L C 1.436 178.320 176.870 0.023 0.000 1.153 12 L CA 0.416 55.218 54.840 -0.063 0.000 0.851 12 L CB -0.603 41.270 42.059 -0.311 0.000 0.959 12 L HN 0.226 nan 8.230 nan 0.000 0.451 13 D N 0.827 121.204 120.400 -0.039 0.000 2.350 13 D HA -0.119 4.522 4.640 0.001 0.000 0.216 13 D C 2.114 178.373 176.300 -0.068 0.000 0.968 13 D CA 0.945 54.921 54.000 -0.041 0.000 0.894 13 D CB 0.131 40.903 40.800 -0.046 0.000 0.909 13 D HN 0.554 nan 8.370 nan 0.000 0.520 14 I N -2.819 117.658 120.570 -0.155 0.000 2.928 14 I HA -0.063 4.108 4.170 0.001 0.000 0.266 14 I C 0.175 176.098 176.117 -0.324 0.000 1.234 14 I CA 0.307 61.445 61.300 -0.270 0.000 1.483 14 I CB -0.330 37.431 38.000 -0.398 0.000 1.097 14 I HN -0.257 nan 8.210 nan 0.000 0.455 15 Y N 2.487 122.761 120.300 -0.044 0.000 2.335 15 Y HA 0.389 4.939 4.550 0.001 0.000 0.323 15 Y C 1.390 177.260 175.900 -0.049 0.000 1.224 15 Y CA -0.858 57.214 58.100 -0.046 0.000 1.241 15 Y CB 0.850 39.265 38.460 -0.076 0.000 1.235 15 Y HN 0.016 nan 8.280 nan 0.000 0.492 16 T N -1.078 113.555 114.554 0.131 0.000 2.788 16 T HA 0.135 4.486 4.350 0.001 0.000 0.287 16 T C -1.996 172.729 174.700 0.042 0.000 1.007 16 T CA -1.627 60.508 62.100 0.058 0.000 1.005 16 T CB 0.956 69.849 68.868 0.042 0.000 1.012 16 T HN 0.349 nan 8.240 nan 0.000 0.530 17 P HA -0.128 nan 4.420 nan 0.000 0.216 17 P C 1.454 178.742 177.300 -0.019 0.000 1.153 17 P CA 1.322 64.418 63.100 -0.007 0.000 0.858 17 P CB 0.059 31.755 31.700 -0.007 0.000 0.789 18 E N -0.469 119.726 120.200 -0.009 0.000 2.017 18 E HA -0.221 4.129 4.350 0.001 0.000 0.193 18 E C 2.207 178.787 176.600 -0.034 0.000 0.997 18 E CA 1.132 57.522 56.400 -0.017 0.000 0.804 18 E CB -0.527 29.170 29.700 -0.004 0.000 0.757 18 E HN 0.402 nan 8.360 nan 0.000 0.448 19 Q N 0.576 120.368 119.800 -0.013 0.000 2.061 19 Q HA -0.200 4.140 4.340 0.001 0.000 0.204 19 Q C 2.293 178.182 176.000 -0.185 0.000 0.984 19 Q CA 1.324 57.099 55.803 -0.048 0.000 0.846 19 Q CB -0.268 28.522 28.738 0.087 0.000 0.902 19 Q HN 0.141 nan 8.270 nan 0.000 0.421 20 R N 0.801 121.219 120.500 -0.136 0.000 2.112 20 R HA -0.246 4.095 4.340 0.001 0.000 0.242 20 R C 2.262 178.404 176.300 -0.263 0.000 1.137 20 R CA 1.710 57.666 56.100 -0.239 0.000 0.944 20 R CB -0.484 29.749 30.300 -0.113 0.000 0.857 20 R HN 0.289 nan 8.270 nan 0.000 0.435 21 A N -0.059 122.667 122.820 -0.157 0.000 1.948 21 A HA -0.140 4.180 4.320 0.001 0.000 0.220 21 A C 2.351 179.852 177.584 -0.138 0.000 1.177 21 A CA 1.966 53.927 52.037 -0.127 0.000 0.636 21 A CB -1.324 17.631 19.000 -0.075 0.000 0.815 21 A HN 0.659 nan 8.150 nan 0.000 0.449 22 G N -0.005 108.706 108.800 -0.148 0.000 2.404 22 G HA2 -0.120 3.841 3.960 0.001 0.000 0.215 22 G HA3 -0.120 3.841 3.960 0.001 0.000 0.215 22 G C 1.410 176.212 174.900 -0.163 0.000 1.174 22 G CA 1.036 46.061 45.100 -0.125 0.000 0.780 22 G HN 0.366 nan 8.290 nan 0.000 0.537 23 I N 1.341 121.723 120.570 -0.314 0.000 2.163 23 I HA -0.131 4.039 4.170 0.001 0.000 0.243 23 I C 2.621 178.533 176.117 -0.342 0.000 1.085 23 I CA 1.067 62.139 61.300 -0.381 0.000 1.347 23 I CB -1.216 36.302 38.000 -0.804 0.000 1.044 23 I HN 0.246 nan 8.210 nan 0.000 0.408 24 E N 1.067 121.007 120.200 -0.432 0.000 2.147 24 E HA -0.254 4.097 4.350 0.001 0.000 0.199 24 E C 1.789 178.400 176.600 0.018 0.000 1.005 24 E CA 1.471 57.710 56.400 -0.268 0.000 0.810 24 E CB -0.154 29.429 29.700 -0.195 0.000 0.736 24 E HN 0.427 nan 8.360 nan 0.000 0.460 25 K N 0.420 120.818 120.400 -0.003 0.000 2.374 25 K HA 0.042 4.363 4.320 0.001 0.000 0.196 25 K C 0.499 177.152 176.600 0.088 0.000 1.023 25 K CA -0.039 56.278 56.287 0.051 0.000 1.103 25 K CB 0.597 33.107 32.500 0.016 0.000 0.848 25 K HN 0.023 nan 8.250 nan 0.000 0.528 26 S N 0.346 116.115 115.700 0.115 0.000 2.564 26 S HA 0.074 4.545 4.470 0.001 0.000 0.278 26 S C 1.233 175.968 174.600 0.224 0.000 1.333 26 S CA -0.568 57.727 58.200 0.160 0.000 1.048 26 S CB 1.581 64.894 63.200 0.188 0.000 0.900 26 S HN 0.178 nan 8.310 nan 0.000 0.505 27 E N 1.742 122.050 120.200 0.180 0.000 2.085 27 E HA -0.185 4.165 4.350 0.001 0.000 0.194 27 E C 1.079 177.841 176.600 0.269 0.000 0.994 27 E CA 1.906 58.413 56.400 0.179 0.000 0.801 27 E CB -0.411 29.365 29.700 0.127 0.000 0.743 27 E HN 0.765 nan 8.360 nan 0.000 0.453 28 D N -0.310 120.296 120.400 0.343 0.000 2.117 28 D HA -0.180 4.461 4.640 0.001 0.000 0.197 28 D C 1.567 178.304 176.300 0.729 0.000 0.987 28 D CA 1.037 55.362 54.000 0.542 0.000 0.829 28 D CB -0.615 40.451 40.800 0.443 0.000 0.961 28 D HN 0.420 nan 8.370 nan 0.000 0.460 29 W N 1.796 123.339 121.300 0.406 0.000 2.388 29 W HA -0.128 4.532 4.660 0.001 0.000 0.294 29 W C 2.061 178.649 176.519 0.115 0.000 1.212 29 W CA 0.508 57.902 57.345 0.083 0.000 1.271 29 W CB -0.011 29.353 29.460 -0.160 0.000 1.126 29 W HN -0.114 nan 8.180 nan 0.000 0.535 30 R N 0.790 121.356 120.500 0.110 0.000 2.081 30 R HA -0.180 4.160 4.340 0.001 0.000 0.235 30 R C 2.060 178.317 176.300 -0.072 0.000 1.131 30 R CA 1.572 57.663 56.100 -0.015 0.000 0.960 30 R CB -0.733 29.614 30.300 0.079 0.000 0.856 30 R HN 0.288 nan 8.270 nan 0.000 0.436 31 Q N -0.525 119.306 119.800 0.053 0.000 2.016 31 Q HA -0.157 4.184 4.340 0.001 0.000 0.200 31 Q C 1.989 177.916 176.000 -0.121 0.000 0.978 31 Q CA 1.379 57.196 55.803 0.023 0.000 0.833 31 Q CB -0.630 28.220 28.738 0.188 0.000 0.895 31 Q HN 0.297 nan 8.270 nan 0.000 0.427 32 F N 1.429 121.222 119.950 -0.262 0.000 2.095 32 F HA -0.245 4.283 4.527 0.001 0.000 0.298 32 F C 2.699 178.192 175.800 -0.512 0.000 1.104 32 F CA 1.775 59.544 58.000 -0.385 0.000 1.232 32 F CB -0.438 38.445 39.000 -0.196 0.000 0.987 32 F HN 0.026 nan 8.300 nan 0.000 0.475 33 S N 0.101 115.391 115.700 -0.684 0.000 2.359 33 S HA -0.276 4.195 4.470 0.001 0.000 0.224 33 S C 2.380 176.719 174.600 -0.436 0.000 1.035 33 S CA 1.623 59.395 58.200 -0.714 0.000 1.018 33 S CB -0.554 62.200 63.200 -0.743 0.000 0.876 33 S HN 0.548 nan 8.310 nan 0.000 0.448 34 R N 0.289 120.601 120.500 -0.314 0.000 2.073 34 R HA -0.032 4.309 4.340 0.001 0.000 0.234 34 R C 2.549 178.716 176.300 -0.222 0.000 1.134 34 R CA 1.622 57.595 56.100 -0.212 0.000 0.952 34 R CB -0.249 29.967 30.300 -0.141 0.000 0.850 34 R HN 0.363 nan 8.270 nan 0.000 0.433 35 R N -0.391 119.964 120.500 -0.241 0.000 2.092 35 R HA -0.054 4.287 4.340 0.001 0.000 0.231 35 R C 2.436 178.622 176.300 -0.189 0.000 1.119 35 R CA 1.421 57.432 56.100 -0.147 0.000 0.970 35 R CB -0.184 30.027 30.300 -0.148 0.000 0.864 35 R HN 0.253 nan 8.270 nan 0.000 0.440 36 M N 0.911 120.268 119.600 -0.405 0.000 2.065 36 M HA -0.183 4.298 4.480 0.001 0.000 0.259 36 M C 1.335 177.545 176.300 -0.150 0.000 1.069 36 M CA 1.751 56.836 55.300 -0.359 0.000 1.110 36 M CB -0.705 31.540 32.600 -0.593 0.000 1.328 36 M HN 0.066 nan 8.290 nan 0.000 0.405 37 D N -0.543 119.745 120.400 -0.187 0.000 2.117 37 D HA -0.114 4.527 4.640 0.001 0.000 0.197 37 D C 1.916 178.141 176.300 -0.125 0.000 0.987 37 D CA 1.643 55.573 54.000 -0.117 0.000 0.829 37 D CB -0.390 40.334 40.800 -0.127 0.000 0.961 37 D HN 0.345 nan 8.370 nan 0.000 0.460 38 T N 0.039 114.459 114.554 -0.224 0.000 2.770 38 T HA -0.086 4.265 4.350 0.001 0.000 0.263 38 T C 1.497 175.918 174.700 -0.465 0.000 1.039 38 T CA 0.937 62.803 62.100 -0.391 0.000 1.142 38 T CB -0.076 68.427 68.868 -0.608 0.000 0.868 38 T HN 0.332 nan 8.240 nan 0.000 0.435 39 H N -0.982 118.045 119.070 -0.072 0.000 2.648 39 H HA 0.276 4.833 4.556 0.001 0.000 0.265 39 H C 1.793 177.092 175.328 -0.049 0.000 0.961 39 H CA -0.159 55.848 56.048 -0.070 0.000 1.185 39 H CB -0.142 29.568 29.762 -0.087 0.000 1.449 39 H HN 0.288 nan 8.280 nan 0.000 0.523 40 F N 3.285 123.212 119.950 -0.038 0.000 2.126 40 F HA -0.042 4.486 4.527 0.001 0.000 0.299 40 F C -0.892 174.889 175.800 -0.032 0.000 1.096 40 F CA 0.417 58.393 58.000 -0.040 0.000 1.255 40 F CB -0.987 37.972 39.000 -0.069 0.000 0.997 40 F HN 0.031 nan 8.300 nan 0.000 0.479 41 P HA -0.231 nan 4.420 nan 0.000 0.216 41 P C 1.276 178.413 177.300 -0.271 0.000 1.154 41 P CA 2.403 65.380 63.100 -0.204 0.000 0.865 41 P CB -0.100 31.558 31.700 -0.070 0.000 0.789 42 K N -1.218 119.066 120.400 -0.194 0.000 2.057 42 K HA -0.110 4.210 4.320 0.001 0.000 0.206 42 K C 1.981 178.450 176.600 -0.218 0.000 1.050 42 K CA 0.932 57.125 56.287 -0.157 0.000 0.935 42 K CB -0.862 31.597 32.500 -0.069 0.000 0.715 42 K HN 0.050 nan 8.250 nan 0.000 0.439 43 L N 1.060 122.115 121.223 -0.280 0.000 2.017 43 L HA -0.166 4.175 4.340 0.001 0.000 0.208 43 L C 2.314 178.940 176.870 -0.407 0.000 1.073 43 L CA 1.637 56.303 54.840 -0.290 0.000 0.745 43 L CB -0.401 41.515 42.059 -0.237 0.000 0.894 43 L HN 0.136 nan 8.230 nan 0.000 0.432 44 M N -0.063 119.130 119.600 -0.677 0.000 2.086 44 M HA -0.209 4.272 4.480 0.001 0.000 0.261 44 M C 2.093 178.217 176.300 -0.294 0.000 1.067 44 M CA 2.127 57.108 55.300 -0.530 0.000 1.116 44 M CB -0.804 31.401 32.600 -0.658 0.000 1.348 44 M HN 0.485 nan 8.290 nan 0.000 0.407 45 N N -0.211 118.331 118.700 -0.264 0.000 2.084 45 N HA -0.186 4.555 4.740 0.001 0.000 0.190 45 N C 1.521 176.921 175.510 -0.184 0.000 1.030 45 N CA 1.813 54.753 53.050 -0.184 0.000 0.849 45 N CB -0.117 38.277 38.487 -0.155 0.000 1.012 45 N HN 0.365 nan 8.380 nan 0.000 0.423 46 E N 0.512 120.594 120.200 -0.197 0.000 2.031 46 E HA -0.132 4.219 4.350 0.001 0.000 0.193 46 E C 2.194 178.641 176.600 -0.255 0.000 0.994 46 E CA 0.780 57.059 56.400 -0.202 0.000 0.800 46 E CB -0.579 29.019 29.700 -0.170 0.000 0.752 46 E HN 0.471 nan 8.360 nan 0.000 0.447 47 L N 0.738 121.802 121.223 -0.266 0.000 2.079 47 L HA -0.221 4.119 4.340 0.001 0.000 0.210 47 L C 2.315 179.096 176.870 -0.150 0.000 1.081 47 L CA 1.561 56.258 54.840 -0.238 0.000 0.752 47 L CB -0.419 41.504 42.059 -0.227 0.000 0.896 47 L HN 0.118 nan 8.230 nan 0.000 0.433 48 D N -0.382 119.931 120.400 -0.145 0.000 2.178 48 D HA -0.174 4.467 4.640 0.001 0.000 0.202 48 D C 2.236 178.452 176.300 -0.139 0.000 0.974 48 D CA 1.183 55.120 54.000 -0.105 0.000 0.841 48 D CB 0.189 40.932 40.800 -0.095 0.000 0.953 48 D HN 0.283 nan 8.370 nan 0.000 0.478 49 S N -1.104 114.483 115.700 -0.189 0.000 2.447 49 S HA -0.071 4.399 4.470 0.001 0.000 0.233 49 S C 1.813 176.234 174.600 -0.297 0.000 1.006 49 S CA 0.825 58.899 58.200 -0.209 0.000 0.957 49 S CB 0.025 63.100 63.200 -0.208 0.000 0.773 49 S HN 0.155 nan 8.310 nan 0.000 0.507 50 V N -0.402 119.265 119.914 -0.413 0.000 2.521 50 V HA 0.154 4.275 4.120 0.001 0.000 0.239 50 V C 1.848 177.626 176.094 -0.526 0.000 1.053 50 V CA 0.806 62.709 62.300 -0.662 0.000 1.073 50 V CB -0.802 30.404 31.823 -1.029 0.000 0.746 50 V HN 0.442 nan 8.190 nan 0.000 0.476 51 Y N 1.169 121.381 120.300 -0.145 0.000 2.517 51 Y HA 0.447 4.998 4.550 0.001 0.000 0.281 51 Y C 1.933 177.794 175.900 -0.065 0.000 1.125 51 Y CA 0.244 58.295 58.100 -0.082 0.000 1.283 51 Y CB -0.766 37.616 38.460 -0.130 0.000 1.042 51 Y HN 0.332 nan 8.280 nan 0.000 0.547 52 G N 1.249 110.065 108.800 0.026 0.000 2.651 52 G HA2 -0.407 3.554 3.960 0.001 0.000 0.315 52 G HA3 -0.407 3.554 3.960 0.001 0.000 0.315 52 G C 0.863 175.777 174.900 0.024 0.000 1.258 52 G CA 0.711 45.816 45.100 0.008 0.000 1.002 52 G HN 0.378 nan 8.290 nan 0.000 0.551 53 N N 2.321 121.037 118.700 0.025 0.000 2.313 53 N HA 0.023 4.764 4.740 0.001 0.000 0.207 53 N C 0.767 176.291 175.510 0.024 0.000 1.141 53 N CA -0.010 53.052 53.050 0.020 0.000 0.830 53 N CB -0.300 38.197 38.487 0.016 0.000 1.008 53 N HN 0.524 nan 8.380 nan 0.000 0.481 54 N N 2.279 121.000 118.700 0.036 0.000 2.292 54 N HA -0.129 4.611 4.740 0.001 0.000 0.258 54 N C 1.132 176.634 175.510 -0.014 0.000 1.261 54 N CA 0.314 53.376 53.050 0.020 0.000 0.845 54 N CB 0.948 39.444 38.487 0.016 0.000 1.064 54 N HN 0.279 nan 8.380 nan 0.000 0.471 55 E N 3.641 123.844 120.200 0.005 0.000 2.160 55 E HA -0.166 4.185 4.350 0.001 0.000 0.195 55 E C 1.365 177.961 176.600 -0.006 0.000 0.991 55 E CA 1.868 58.276 56.400 0.013 0.000 0.810 55 E CB -0.348 29.377 29.700 0.041 0.000 0.742 55 E HN 0.548 nan 8.360 nan 0.000 0.466 56 A N 0.388 123.172 122.820 -0.060 0.000 2.208 56 A HA 0.151 4.471 4.320 0.001 0.000 0.209 56 A C 1.953 179.312 177.584 -0.375 0.000 1.161 56 A CA 0.582 52.522 52.037 -0.161 0.000 0.782 56 A CB -0.457 18.398 19.000 -0.241 0.000 0.816 56 A HN 0.283 nan 8.150 nan 0.000 0.477 57 L N -0.447 120.604 121.223 -0.287 0.000 1.970 57 L HA -0.153 4.187 4.340 0.001 0.000 0.212 57 L C 2.211 178.971 176.870 -0.183 0.000 1.071 57 L CA 2.249 56.913 54.840 -0.293 0.000 0.751 57 L CB -0.773 41.196 42.059 -0.150 0.000 0.889 57 L HN 0.354 nan 8.230 nan 0.000 0.432 58 L N -0.014 121.167 121.223 -0.069 0.000 1.989 58 L HA -0.110 4.231 4.340 0.001 0.000 0.211 58 L C -0.461 176.424 176.870 0.025 0.000 1.071 58 L CA 2.135 56.983 54.840 0.012 0.000 0.749 58 L CB -1.851 40.240 42.059 0.053 0.000 0.890 58 L HN 0.184 nan 8.230 nan 0.000 0.431 59 P HA -0.208 nan 4.420 nan 0.000 0.215 59 P C 1.996 179.373 177.300 0.128 0.000 1.153 59 P CA 1.550 64.728 63.100 0.131 0.000 0.853 59 P CB -0.282 31.557 31.700 0.231 0.000 0.788 60 M N -0.835 118.650 119.600 -0.191 0.000 2.086 60 M HA -0.124 4.357 4.480 0.001 0.000 0.261 60 M C 1.920 178.190 176.300 -0.050 0.000 1.067 60 M CA 1.828 56.896 55.300 -0.386 0.000 1.116 60 M CB -1.390 30.593 32.600 -1.029 0.000 1.348 60 M HN -0.100 nan 8.290 nan 0.000 0.407 61 L N 1.403 122.596 121.223 -0.049 0.000 2.012 61 L HA -0.195 4.146 4.340 0.001 0.000 0.210 61 L C 2.123 179.081 176.870 0.146 0.000 1.073 61 L CA 2.072 56.956 54.840 0.073 0.000 0.748 61 L CB -0.890 41.224 42.059 0.092 0.000 0.891 61 L HN 0.394 nan 8.230 nan 0.000 0.431 62 E N -0.983 119.294 120.200 0.127 0.000 2.110 62 E HA -0.281 4.069 4.350 0.001 0.000 0.193 62 E C 2.171 178.866 176.600 0.159 0.000 0.988 62 E CA 1.529 58.007 56.400 0.130 0.000 0.804 62 E CB -0.280 29.479 29.700 0.099 0.000 0.745 62 E HN 0.600 nan 8.360 nan 0.000 0.458 63 M N 0.835 120.545 119.600 0.183 0.000 2.132 63 M HA -0.162 4.319 4.480 0.001 0.000 0.263 63 M C 2.301 178.732 176.300 0.218 0.000 1.065 63 M CA 1.076 56.502 55.300 0.209 0.000 1.122 63 M CB 0.020 32.796 32.600 0.294 0.000 1.365 63 M HN 0.145 nan 8.290 nan 0.000 0.411 64 L N 0.825 122.185 121.223 0.229 0.000 2.046 64 L HA -0.155 4.186 4.340 0.001 0.000 0.208 64 L C 1.935 178.969 176.870 0.274 0.000 1.077 64 L CA 1.864 56.855 54.840 0.251 0.000 0.747 64 L CB -0.696 41.525 42.059 0.270 0.000 0.896 64 L HN 0.375 nan 8.230 nan 0.000 0.432 65 L N -0.750 120.640 121.223 0.279 0.000 2.093 65 L HA -0.111 4.229 4.340 0.001 0.000 0.208 65 L C 2.683 179.768 176.870 0.357 0.000 1.085 65 L CA 1.012 56.059 54.840 0.346 0.000 0.755 65 L CB -1.020 41.217 42.059 0.295 0.000 0.904 65 L HN 0.358 nan 8.230 nan 0.000 0.435 66 A N -0.268 122.714 122.820 0.269 0.000 1.902 66 A HA -0.283 4.037 4.320 0.001 0.000 0.217 66 A C 2.290 180.020 177.584 0.243 0.000 1.181 66 A CA 1.892 54.082 52.037 0.255 0.000 0.623 66 A CB -0.556 18.547 19.000 0.173 0.000 0.818 66 A HN 0.494 nan 8.150 nan 0.000 0.443 67 Q N -0.621 119.308 119.800 0.215 0.000 2.119 67 Q HA -0.079 4.262 4.340 0.001 0.000 0.201 67 Q C 2.158 178.274 176.000 0.193 0.000 0.972 67 Q CA 1.441 57.352 55.803 0.180 0.000 0.847 67 Q CB -0.337 28.513 28.738 0.187 0.000 0.903 67 Q HN 0.596 nan 8.270 nan 0.000 0.433 68 A N 1.169 124.152 122.820 0.272 0.000 1.902 68 A HA -0.210 4.111 4.320 0.001 0.000 0.217 68 A C 1.864 179.620 177.584 0.287 0.000 1.181 68 A CA 1.255 53.490 52.037 0.330 0.000 0.623 68 A CB -1.489 17.788 19.000 0.463 0.000 0.818 68 A HN 0.838 nan 8.150 nan 0.000 0.443 69 W N 0.543 121.805 121.300 -0.064 0.000 2.355 69 W HA -0.218 4.443 4.660 0.001 0.000 0.309 69 W C 1.913 178.378 176.519 -0.091 0.000 1.206 69 W CA 1.729 58.788 57.345 -0.476 0.000 1.284 69 W CB -0.200 28.971 29.460 -0.482 0.000 1.145 69 W HN 0.369 nan 8.180 nan 0.000 0.502 70 Q N 0.382 119.998 119.800 -0.306 0.000 2.084 70 Q HA -0.198 4.143 4.340 0.001 0.000 0.202 70 Q C 2.333 178.174 176.000 -0.265 0.000 0.978 70 Q CA 1.891 57.458 55.803 -0.394 0.000 0.844 70 Q CB -1.096 27.566 28.738 -0.126 0.000 0.898 70 Q HN 0.291 nan 8.270 nan 0.000 0.426 71 S N -0.105 115.549 115.700 -0.076 0.000 2.356 71 S HA -0.186 4.284 4.470 0.001 0.000 0.223 71 S C 1.893 176.477 174.600 -0.027 0.000 1.032 71 S CA 1.053 59.251 58.200 -0.003 0.000 1.005 71 S CB -0.319 62.943 63.200 0.103 0.000 0.867 71 S HN 0.459 nan 8.310 nan 0.000 0.449 72 Y N 1.758 121.995 120.300 -0.104 0.000 2.224 72 Y HA -0.014 4.537 4.550 0.001 0.000 0.289 72 Y C 2.806 178.576 175.900 -0.217 0.000 1.146 72 Y CA 1.658 59.718 58.100 -0.066 0.000 1.182 72 Y CB -0.972 37.563 38.460 0.125 0.000 0.983 72 Y HN 0.367 nan 8.280 nan 0.000 0.524 73 S N -0.340 115.004 115.700 -0.593 0.000 2.383 73 S HA -0.259 4.211 4.470 0.001 0.000 0.229 73 S C 1.854 176.195 174.600 -0.432 0.000 1.030 73 S CA 1.893 59.663 58.200 -0.717 0.000 1.002 73 S CB -0.260 62.299 63.200 -1.069 0.000 0.829 73 S HN 0.723 nan 8.310 nan 0.000 0.467 74 Q N 0.266 119.869 119.800 -0.329 0.000 2.187 74 Q HA 0.105 4.445 4.340 0.001 0.000 0.199 74 Q C 0.998 176.884 176.000 -0.190 0.000 0.957 74 Q CA 0.177 55.858 55.803 -0.205 0.000 0.857 74 Q CB -0.061 28.598 28.738 -0.131 0.000 0.929 74 Q HN 0.429 nan 8.270 nan 0.000 0.453 75 R N 2.597 122.961 120.500 -0.227 0.000 2.500 75 R HA -0.103 4.237 4.340 0.001 0.000 0.281 75 R C -0.098 176.084 176.300 -0.196 0.000 0.953 75 R CA -0.063 55.920 56.100 -0.194 0.000 1.108 75 R CB 0.222 30.387 30.300 -0.224 0.000 0.901 75 R HN 0.043 nan 8.270 nan 0.000 0.410 76 N N 1.873 120.498 118.700 -0.126 0.000 2.441 76 N HA -0.097 4.644 4.740 0.001 0.000 0.251 76 N C 0.820 176.265 175.510 -0.108 0.000 1.242 76 N CA 0.656 53.645 53.050 -0.101 0.000 0.898 76 N CB 1.474 39.921 38.487 -0.067 0.000 1.100 76 N HN 0.599 nan 8.380 nan 0.000 0.443 77 S N 1.982 117.627 115.700 -0.092 0.000 2.374 77 S HA -0.159 4.312 4.470 0.001 0.000 0.227 77 S C 1.690 176.252 174.600 -0.064 0.000 1.037 77 S CA 1.934 60.088 58.200 -0.076 0.000 1.024 77 S CB -0.249 62.918 63.200 -0.055 0.000 0.861 77 S HN 0.661 nan 8.310 nan 0.000 0.456 78 S N 1.375 117.038 115.700 -0.062 0.000 2.382 78 S HA 0.042 4.513 4.470 0.001 0.000 0.228 78 S C 1.767 176.312 174.600 -0.092 0.000 1.027 78 S CA 1.335 59.492 58.200 -0.070 0.000 0.991 78 S CB -0.438 62.724 63.200 -0.064 0.000 0.823 78 S HN 0.494 nan 8.310 nan 0.000 0.469 79 L N 0.879 122.051 121.223 -0.085 0.000 2.141 79 L HA -0.048 4.292 4.340 0.001 0.000 0.209 79 L C 2.302 179.141 176.870 -0.053 0.000 1.094 79 L CA 1.069 55.857 54.840 -0.086 0.000 0.763 79 L CB -0.431 41.591 42.059 -0.062 0.000 0.908 79 L HN 0.248 nan 8.230 nan 0.000 0.437 80 K N -0.127 120.249 120.400 -0.039 0.000 2.211 80 K HA -0.133 4.188 4.320 0.001 0.000 0.203 80 K C 1.516 178.125 176.600 0.015 0.000 1.050 80 K CA 1.023 57.325 56.287 0.025 0.000 0.945 80 K CB -0.021 32.474 32.500 -0.008 0.000 0.732 80 K HN 0.271 nan 8.250 nan 0.000 0.451 81 D N 0.783 121.163 120.400 -0.033 0.000 2.183 81 D HA -0.090 4.551 4.640 0.001 0.000 0.203 81 D C 1.764 178.015 176.300 -0.082 0.000 0.969 81 D CA 0.812 54.784 54.000 -0.047 0.000 0.842 81 D CB 0.089 40.853 40.800 -0.060 0.000 0.957 81 D HN 0.082 nan 8.370 nan 0.000 0.484 82 I N 1.552 122.050 120.570 -0.120 0.000 2.439 82 I HA -0.155 4.016 4.170 0.001 0.000 0.251 82 I C 1.678 177.707 176.117 -0.147 0.000 1.139 82 I CA 0.946 62.134 61.300 -0.187 0.000 1.438 82 I CB -0.855 36.990 38.000 -0.259 0.000 1.085 82 I HN -0.077 nan 8.210 nan 0.000 0.427 83 D N 1.207 121.569 120.400 -0.064 0.000 2.104 83 D HA -0.158 4.483 4.640 0.001 0.000 0.194 83 D C 2.357 178.649 176.300 -0.013 0.000 0.994 83 D CA 1.310 55.304 54.000 -0.010 0.000 0.830 83 D CB -0.085 40.764 40.800 0.082 0.000 0.959 83 D HN 0.328 nan 8.370 nan 0.000 0.452 84 I N 1.190 121.755 120.570 -0.009 0.000 2.252 84 I HA -0.226 3.944 4.170 0.001 0.000 0.245 84 I C 2.561 178.656 176.117 -0.036 0.000 1.102 84 I CA 0.940 62.235 61.300 -0.008 0.000 1.385 84 I CB -0.246 37.755 38.000 0.002 0.000 1.064 84 I HN -0.087 nan 8.210 nan 0.000 0.414 85 A N 0.921 123.696 122.820 -0.076 0.000 1.877 85 A HA -0.185 4.135 4.320 0.001 0.000 0.216 85 A C 2.400 179.914 177.584 -0.116 0.000 1.186 85 A CA 1.353 53.328 52.037 -0.102 0.000 0.620 85 A CB -0.469 18.439 19.000 -0.154 0.000 0.822 85 A HN 0.231 nan 8.150 nan 0.000 0.443 86 R N -0.047 120.352 120.500 -0.168 0.000 2.091 86 R HA -0.133 4.207 4.340 0.001 0.000 0.238 86 R C 1.940 178.261 176.300 0.036 0.000 1.136 86 R CA 1.578 57.586 56.100 -0.153 0.000 0.959 86 R CB -0.789 29.395 30.300 -0.192 0.000 0.856 86 R HN 0.738 nan 8.270 nan 0.000 0.437 87 E N 0.432 120.648 120.200 0.026 0.000 2.118 87 E HA -0.146 4.205 4.350 0.001 0.000 0.195 87 E C 1.442 178.059 176.600 0.028 0.000 0.992 87 E CA 0.993 57.418 56.400 0.043 0.000 0.804 87 E CB -0.042 29.673 29.700 0.025 0.000 0.741 87 E HN 0.363 nan 8.360 nan 0.000 0.458 88 N N 0.592 119.299 118.700 0.011 0.000 2.424 88 N HA -0.065 4.676 4.740 0.001 0.000 0.178 88 N C 0.294 175.818 175.510 0.024 0.000 1.060 88 N CA 0.452 53.507 53.050 0.007 0.000 0.901 88 N CB 0.168 38.654 38.487 -0.002 0.000 0.979 88 N HN 0.003 nan 8.380 nan 0.000 0.451 89 N N 1.037 119.766 118.700 0.048 0.000 2.791 89 N HA 0.196 4.937 4.740 0.001 0.000 0.265 89 N C -2.074 173.580 175.510 0.241 0.000 1.580 89 N CA -1.769 51.344 53.050 0.105 0.000 0.809 89 N CB 1.112 39.644 38.487 0.074 0.000 1.178 89 N HN -0.096 nan 8.380 nan 0.000 0.499 90 P HA 0.023 nan 4.420 nan 0.000 0.226 90 P C -0.258 177.225 177.300 0.304 0.000 1.153 90 P CA 0.848 64.131 63.100 0.304 0.000 0.777 90 P CB 0.511 32.198 31.700 -0.021 0.000 0.794 91 D N -0.615 119.926 120.400 0.234 0.000 2.336 91 D HA -0.019 4.622 4.640 0.001 0.000 0.228 91 D C 1.698 178.051 176.300 0.087 0.000 1.120 91 D CA -0.090 54.002 54.000 0.152 0.000 0.839 91 D CB -0.816 40.086 40.800 0.171 0.000 0.932 91 D HN 0.395 nan 8.370 nan 0.000 0.509 92 W N 1.344 122.651 121.300 0.011 0.000 2.392 92 W HA -0.135 4.526 4.660 0.001 0.000 0.279 92 W C 1.369 177.878 176.519 -0.017 0.000 1.225 92 W CA 0.488 57.816 57.345 -0.029 0.000 1.233 92 W CB -1.122 28.280 29.460 -0.097 0.000 1.122 92 W HN 0.089 nan 8.180 nan 0.000 0.561 93 I N -0.911 119.127 120.570 -0.887 0.000 2.830 93 I HA -0.077 4.093 4.170 0.001 0.000 0.263 93 I C 2.001 177.927 176.117 -0.317 0.000 1.230 93 I CA 1.114 61.920 61.300 -0.823 0.000 1.480 93 I CB -0.729 36.781 38.000 -0.815 0.000 1.095 93 I HN -0.090 nan 8.210 nan 0.000 0.455 94 L N 0.662 121.781 121.223 -0.174 0.000 2.567 94 L HA 0.186 4.527 4.340 0.001 0.000 0.225 94 L C 1.371 178.231 176.870 -0.017 0.000 1.119 94 L CA -0.115 54.682 54.840 -0.072 0.000 0.871 94 L CB 0.058 42.095 42.059 -0.036 0.000 1.036 94 L HN 0.210 nan 8.230 nan 0.000 0.459 95 S N 0.975 116.676 115.700 0.002 0.000 2.549 95 S HA -0.033 4.438 4.470 0.001 0.000 0.283 95 S C 1.478 176.100 174.600 0.036 0.000 1.320 95 S CA -0.534 57.691 58.200 0.042 0.000 1.058 95 S CB 0.433 63.681 63.200 0.080 0.000 0.882 95 S HN 0.444 nan 8.310 nan 0.000 0.498 96 N N 4.995 123.725 118.700 0.050 0.000 2.453 96 N HA -0.115 4.625 4.740 0.001 0.000 0.183 96 N C 0.930 176.457 175.510 0.029 0.000 1.041 96 N CA 0.711 53.791 53.050 0.050 0.000 0.900 96 N CB -0.175 38.367 38.487 0.092 0.000 0.961 96 N HN 0.636 nan 8.380 nan 0.000 0.443 97 K N 0.077 120.503 120.400 0.043 0.000 2.211 97 K HA -0.007 4.314 4.320 0.001 0.000 0.203 97 K C 0.445 177.073 176.600 0.048 0.000 1.050 97 K CA 0.561 56.874 56.287 0.044 0.000 0.945 97 K CB 0.036 32.573 32.500 0.062 0.000 0.732 97 K HN 0.285 nan 8.250 nan 0.000 0.451 98 Q N 1.220 121.050 119.800 0.050 0.000 2.313 98 Q HA 0.187 4.527 4.340 0.001 0.000 0.266 98 Q C -0.639 175.362 176.000 0.002 0.000 0.989 98 Q CA 0.235 56.068 55.803 0.050 0.000 0.890 98 Q CB 1.621 30.380 28.738 0.034 0.000 1.200 98 Q HN -0.118 nan 8.270 nan 0.000 0.396 99 V N 1.513 121.433 119.914 0.010 0.000 2.655 99 V HA 0.559 4.680 4.120 0.001 0.000 0.301 99 V C 0.107 176.192 176.094 -0.015 0.000 1.082 99 V CA -0.845 61.445 62.300 -0.017 0.000 0.899 99 V CB 2.100 33.924 31.823 0.002 0.000 1.014 99 V HN 0.858 nan 8.190 nan 0.000 0.429 100 G N 2.223 110.959 108.800 -0.107 0.000 2.471 100 G HA2 0.826 4.787 3.960 0.001 0.000 0.332 100 G HA3 0.826 4.787 3.960 0.001 0.000 0.332 100 G C -0.294 174.623 174.900 0.028 0.000 1.176 100 G CA -0.364 44.693 45.100 -0.071 0.000 0.949 100 G HN 1.116 nan 8.290 nan 0.000 0.488 101 G N -1.879 106.975 108.800 0.090 0.000 2.659 101 G HA2 0.647 4.608 3.960 0.001 0.000 0.296 101 G HA3 0.647 4.608 3.960 0.001 0.000 0.296 101 G C -1.761 173.141 174.900 0.003 0.000 1.369 101 G CA -0.459 44.646 45.100 0.009 0.000 0.937 101 G HN 1.292 nan 8.290 nan 0.000 0.485 102 V N 0.540 120.428 119.914 -0.042 0.000 2.789 102 V HA 0.826 4.947 4.120 0.001 0.000 0.311 102 V C -0.446 175.438 176.094 -0.351 0.000 1.073 102 V CA -0.292 61.917 62.300 -0.152 0.000 0.921 102 V CB 1.269 33.110 31.823 0.030 0.000 1.009 102 V HN 1.734 nan 8.190 nan 0.000 0.426 103 C N 3.546 122.578 119.300 -0.445 0.000 3.307 103 C HA 0.676 5.136 4.460 0.001 0.000 0.333 103 C C -1.348 173.481 174.990 -0.269 0.000 1.291 103 C CA -1.138 57.657 59.018 -0.371 0.000 1.273 103 C CB 0.806 28.230 27.740 -0.528 0.000 1.580 103 C HN 0.858 nan 8.230 nan 0.000 0.481 104 Y N 1.375 121.641 120.300 -0.057 0.000 2.316 104 Y HA 0.375 4.926 4.550 0.001 0.000 0.331 104 Y C 1.545 177.492 175.900 0.078 0.000 1.083 104 Y CA 0.156 58.262 58.100 0.009 0.000 1.206 104 Y CB 1.390 39.910 38.460 0.099 0.000 1.195 104 Y HN 0.611 nan 8.280 nan 0.000 0.497 105 V N 2.614 122.629 119.914 0.168 0.000 2.343 105 V HA -0.303 3.817 4.120 0.001 0.000 0.247 105 V C 1.912 178.105 176.094 0.164 0.000 1.051 105 V CA 2.320 64.706 62.300 0.144 0.000 1.036 105 V CB -0.384 31.473 31.823 0.057 0.000 0.654 105 V HN 0.916 nan 8.190 nan 0.000 0.451 106 D N 0.373 120.870 120.400 0.161 0.000 2.097 106 D HA -0.177 4.463 4.640 0.001 0.000 0.197 106 D C 2.044 178.423 176.300 0.131 0.000 0.984 106 D CA 1.434 55.503 54.000 0.114 0.000 0.826 106 D CB -0.509 40.345 40.800 0.091 0.000 0.973 106 D HN 0.435 nan 8.370 nan 0.000 0.460 107 L N -1.242 120.100 121.223 0.199 0.000 2.093 107 L HA -0.028 4.313 4.340 0.001 0.000 0.208 107 L C 2.617 179.638 176.870 0.251 0.000 1.085 107 L CA 0.812 55.773 54.840 0.201 0.000 0.755 107 L CB -0.452 41.734 42.059 0.213 0.000 0.904 107 L HN -0.061 nan 8.230 nan 0.000 0.435 108 F N 0.121 120.163 119.950 0.154 0.000 2.317 108 F HA 0.120 4.647 4.527 0.001 0.000 0.293 108 F C 1.824 177.613 175.800 -0.019 0.000 1.085 108 F CA 0.914 59.005 58.000 0.151 0.000 1.390 108 F CB 0.238 39.345 39.000 0.179 0.000 1.077 108 F HN -0.059 nan 8.300 nan 0.000 0.517 109 A N -1.331 121.547 122.820 0.097 0.000 2.630 109 A HA 0.569 4.890 4.320 0.001 0.000 0.287 109 A C 1.294 178.843 177.584 -0.057 0.000 1.040 109 A CA 0.477 52.467 52.037 -0.079 0.000 0.971 109 A CB -0.650 18.362 19.000 0.019 0.000 1.241 109 A HN 0.694 nan 8.150 nan 0.000 0.558 110 G N 0.935 109.725 108.800 -0.016 0.000 4.754 110 G HA2 -0.318 3.642 3.960 0.001 0.000 0.222 110 G HA3 -0.318 3.642 3.960 0.001 0.000 0.222 110 G C 0.101 175.000 174.900 -0.002 0.000 1.377 110 G CA 1.358 46.447 45.100 -0.018 0.000 0.942 110 G HN 1.397 nan 8.290 nan 0.000 0.671 111 D N -1.143 119.251 120.400 -0.010 0.000 2.752 111 D HA 0.584 5.225 4.640 0.001 0.000 0.313 111 D C 1.278 177.574 176.300 -0.007 0.000 1.225 111 D CA -0.326 53.668 54.000 -0.010 0.000 0.976 111 D CB -0.039 40.747 40.800 -0.025 0.000 1.443 111 D HN 0.300 nan 8.370 nan 0.000 0.515 112 L N -0.467 120.745 121.223 -0.019 0.000 2.083 112 L HA -0.086 4.254 4.340 0.001 0.000 0.209 112 L C 2.190 179.052 176.870 -0.015 0.000 1.083 112 L CA 1.236 56.066 54.840 -0.018 0.000 0.752 112 L CB -0.395 41.640 42.059 -0.039 0.000 0.899 112 L HN 0.375 nan 8.230 nan 0.000 0.433 113 K N -0.231 120.154 120.400 -0.024 0.000 2.097 113 K HA -0.093 4.227 4.320 0.001 0.000 0.205 113 K C 2.133 178.713 176.600 -0.034 0.000 1.050 113 K CA 1.212 57.483 56.287 -0.028 0.000 0.938 113 K CB -0.389 32.092 32.500 -0.032 0.000 0.718 113 K HN 0.378 nan 8.250 nan 0.000 0.442 114 G N 1.739 110.515 108.800 -0.041 0.000 2.408 114 G HA2 -0.211 3.749 3.960 0.001 0.000 0.217 114 G HA3 -0.211 3.749 3.960 0.001 0.000 0.217 114 G C 1.348 176.217 174.900 -0.052 0.000 1.150 114 G CA 0.125 45.184 45.100 -0.067 0.000 0.776 114 G HN 0.127 nan 8.290 nan 0.000 0.542 115 L N 0.784 122.011 121.223 0.006 0.000 2.083 115 L HA 0.011 4.351 4.340 0.001 0.000 0.209 115 L C 2.492 179.400 176.870 0.064 0.000 1.083 115 L CA 2.245 57.135 54.840 0.083 0.000 0.752 115 L CB -0.719 41.409 42.059 0.115 0.000 0.899 115 L HN 0.265 nan 8.230 nan 0.000 0.433 116 K N -0.366 120.049 120.400 0.024 0.000 2.147 116 K HA -0.183 4.138 4.320 0.001 0.000 0.205 116 K C 1.465 178.051 176.600 -0.024 0.000 1.049 116 K CA 1.598 57.894 56.287 0.015 0.000 0.936 116 K CB 0.053 32.552 32.500 -0.002 0.000 0.722 116 K HN 0.341 nan 8.250 nan 0.000 0.446 117 D N 0.324 120.690 120.400 -0.058 0.000 2.348 117 D HA -0.076 4.565 4.640 0.001 0.000 0.216 117 D C 1.226 177.438 176.300 -0.146 0.000 0.970 117 D CA 0.673 54.619 54.000 -0.090 0.000 0.889 117 D CB 0.293 41.033 40.800 -0.100 0.000 0.912 117 D HN 0.079 nan 8.370 nan 0.000 0.524 118 K N 0.339 120.621 120.400 -0.198 0.000 2.393 118 K HA 0.167 4.488 4.320 0.001 0.000 0.193 118 K C 1.994 178.208 176.600 -0.644 0.000 1.026 118 K CA -0.178 55.869 56.287 -0.400 0.000 1.064 118 K CB 0.445 32.691 32.500 -0.423 0.000 0.833 118 K HN 0.260 nan 8.250 nan 0.000 0.521 119 I N 1.642 122.041 120.570 -0.285 0.000 2.248 119 I HA -0.233 3.937 4.170 0.001 0.000 0.248 119 I C -0.880 175.207 176.117 -0.051 0.000 1.107 119 I CA 1.332 62.601 61.300 -0.052 0.000 1.373 119 I CB -1.243 36.816 38.000 0.099 0.000 1.055 119 I HN 0.024 nan 8.210 nan 0.000 0.418 120 P HA -0.222 nan 4.420 nan 0.000 0.216 120 P C 1.579 178.893 177.300 0.024 0.000 1.150 120 P CA 1.386 64.486 63.100 -0.001 0.000 0.837 120 P CB -0.133 31.565 31.700 -0.003 0.000 0.786 121 Y N -0.291 119.918 120.300 -0.151 0.000 2.181 121 Y HA -0.210 4.341 4.550 0.001 0.000 0.288 121 Y C 1.932 177.890 175.900 0.096 0.000 1.146 121 Y CA 1.348 59.407 58.100 -0.068 0.000 1.164 121 Y CB -1.206 37.162 38.460 -0.154 0.000 0.982 121 Y HN -0.177 nan 8.280 nan 0.000 0.515 122 F N 0.922 120.813 119.950 -0.098 0.000 2.161 122 F HA -0.265 4.262 4.527 0.001 0.000 0.300 122 F C 2.468 178.188 175.800 -0.133 0.000 1.089 122 F CA 1.654 59.552 58.000 -0.170 0.000 1.282 122 F CB -1.319 37.665 39.000 -0.026 0.000 1.010 122 F HN 0.204 nan 8.300 nan 0.000 0.485 123 Q N -0.242 119.626 119.800 0.112 0.000 2.079 123 Q HA -0.206 4.135 4.340 0.001 0.000 0.200 123 Q C 2.221 178.245 176.000 0.040 0.000 0.974 123 Q CA 1.390 57.238 55.803 0.075 0.000 0.840 123 Q CB -0.446 28.335 28.738 0.071 0.000 0.898 123 Q HN 0.521 nan 8.270 nan 0.000 0.430 124 E N 0.863 121.077 120.200 0.023 0.000 2.097 124 E HA -0.232 4.119 4.350 0.001 0.000 0.196 124 E C 1.910 178.551 176.600 0.068 0.000 1.000 124 E CA 0.909 57.349 56.400 0.067 0.000 0.804 124 E CB 0.022 29.801 29.700 0.133 0.000 0.740 124 E HN 0.204 nan 8.360 nan 0.000 0.454 125 L N -0.433 120.749 121.223 -0.067 0.000 2.217 125 L HA 0.078 4.418 4.340 0.001 0.000 0.211 125 L C 1.464 178.330 176.870 -0.006 0.000 1.107 125 L CA 2.026 56.850 54.840 -0.027 0.000 0.783 125 L CB 0.142 42.092 42.059 -0.182 0.000 0.919 125 L HN 0.356 nan 8.230 nan 0.000 0.442 126 G N -1.329 107.476 108.800 0.009 0.000 2.163 126 G HA2 -0.203 3.757 3.960 0.001 0.000 0.213 126 G HA3 -0.203 3.757 3.960 0.001 0.000 0.213 126 G C 0.232 175.150 174.900 0.030 0.000 0.991 126 G CA 0.089 45.201 45.100 0.021 0.000 0.653 126 G HN 0.284 nan 8.290 nan 0.000 0.518 127 L N 1.094 122.338 121.223 0.035 0.000 2.485 127 L HA 0.414 4.755 4.340 0.001 0.000 0.275 127 L C 1.784 178.697 176.870 0.072 0.000 1.207 127 L CA 1.094 55.960 54.840 0.042 0.000 0.855 127 L CB 0.784 42.844 42.059 0.002 0.000 1.114 127 L HN 0.418 nan 8.230 nan 0.000 0.485 128 T N -1.819 112.797 114.554 0.103 0.000 3.058 128 T HA 0.124 4.475 4.350 0.001 0.000 0.278 128 T C -0.407 174.423 174.700 0.217 0.000 0.974 128 T CA -0.198 61.984 62.100 0.137 0.000 0.893 128 T CB 0.067 69.019 68.868 0.140 0.000 1.138 128 T HN 0.400 nan 8.240 nan 0.000 0.529 129 Y N 0.939 121.252 120.300 0.021 0.000 2.361 129 Y HA 0.683 5.233 4.550 0.001 0.000 0.328 129 Y C -2.225 173.646 175.900 -0.048 0.000 1.044 129 Y CA -2.233 55.882 58.100 0.025 0.000 1.085 129 Y CB 1.731 40.218 38.460 0.045 0.000 1.194 129 Y HN 0.185 nan 8.280 nan 0.000 0.438 130 L N 8.316 129.535 121.223 -0.007 0.000 2.372 130 L HA 0.459 4.800 4.340 0.001 0.000 0.273 130 L C -1.961 174.864 176.870 -0.075 0.000 0.989 130 L CA -0.704 54.075 54.840 -0.101 0.000 0.841 130 L CB 1.075 42.957 42.059 -0.295 0.000 1.225 130 L HN 0.697 nan 8.230 nan 0.000 0.414 131 Y N 5.949 126.189 120.300 -0.100 0.000 2.341 131 Y HA 0.632 5.182 4.550 0.001 0.000 0.340 131 Y C -1.204 174.625 175.900 -0.119 0.000 0.997 131 Y CA -1.063 56.989 58.100 -0.081 0.000 1.149 131 Y CB 0.942 39.464 38.460 0.104 0.000 1.171 131 Y HN 0.510 nan 8.280 nan 0.000 0.494 132 L N 7.454 128.614 121.223 -0.105 0.000 2.307 132 L HA 0.331 4.671 4.340 0.001 0.000 0.284 132 L C -0.223 176.397 176.870 -0.416 0.000 1.023 132 L CA -1.049 53.610 54.840 -0.301 0.000 0.810 132 L CB 1.402 43.385 42.059 -0.127 0.000 1.231 132 L HN 0.710 nan 8.230 nan 0.000 0.423 133 M N 2.648 121.878 119.600 -0.617 0.000 2.219 133 M HA 0.182 4.663 4.480 0.001 0.000 0.307 133 M C -2.050 174.092 176.300 -0.265 0.000 1.116 133 M CA -2.222 52.719 55.300 -0.598 0.000 1.181 133 M CB -0.990 30.997 32.600 -1.021 0.000 1.410 133 M HN 0.186 nan 8.290 nan 0.000 0.454 134 P HA -0.104 nan 4.420 nan 0.000 0.255 134 P C 0.078 177.344 177.300 -0.057 0.000 1.141 134 P CA 0.835 63.834 63.100 -0.168 0.000 0.767 134 P CB -0.032 31.460 31.700 -0.346 0.000 0.726 135 L N 1.675 122.877 121.223 -0.035 0.000 2.701 135 L HA 0.259 4.600 4.340 0.001 0.000 0.238 135 L C 0.713 177.390 176.870 -0.322 0.000 1.106 135 L CA -0.116 54.612 54.840 -0.187 0.000 0.898 135 L CB -0.145 41.725 42.059 -0.316 0.000 1.188 135 L HN 0.226 nan 8.230 nan 0.000 0.508 136 F N 0.570 120.502 119.950 -0.030 0.000 2.380 136 F HA 0.296 4.823 4.527 0.001 0.000 0.319 136 F C 1.076 176.828 175.800 -0.080 0.000 1.113 136 F CA -0.777 57.196 58.000 -0.044 0.000 1.056 136 F CB 0.463 39.435 39.000 -0.046 0.000 1.289 136 F HN -0.249 nan 8.300 nan 0.000 0.515 137 K N 1.398 121.857 120.400 0.098 0.000 2.550 137 K HA 0.162 4.482 4.320 0.001 0.000 0.280 137 K C -0.603 175.972 176.600 -0.042 0.000 0.987 137 K CA 0.286 56.567 56.287 -0.010 0.000 1.048 137 K CB -0.119 32.351 32.500 -0.050 0.000 0.879 137 K HN 0.789 nan 8.250 nan 0.000 0.491 138 C N 0.952 120.221 119.300 -0.051 0.000 3.288 138 C HA 0.502 4.962 4.460 0.001 0.000 0.318 138 C C -2.971 171.971 174.990 -0.080 0.000 1.356 138 C CA -2.475 56.510 59.018 -0.054 0.000 1.359 138 C CB 0.863 28.598 27.740 -0.008 0.000 1.688 138 C HN 0.541 nan 8.230 nan 0.000 0.467 139 P HA 0.199 nan 4.420 nan 0.000 0.265 139 P C -0.263 176.953 177.300 -0.140 0.000 1.187 139 P CA 0.614 63.623 63.100 -0.152 0.000 0.766 139 P CB 0.392 31.948 31.700 -0.240 0.000 0.820 140 E N 1.355 121.482 120.200 -0.123 0.000 2.383 140 E HA 0.310 4.661 4.350 0.001 0.000 0.264 140 E C 1.236 177.761 176.600 -0.125 0.000 1.050 140 E CA 0.288 56.625 56.400 -0.105 0.000 0.896 140 E CB 0.221 29.869 29.700 -0.087 0.000 0.982 140 E HN 0.685 nan 8.360 nan 0.000 0.424 141 G N 3.433 112.166 108.800 -0.111 0.000 4.269 141 G HA2 -0.322 3.638 3.960 0.001 0.000 0.290 141 G HA3 -0.322 3.638 3.960 0.001 0.000 0.290 141 G C -0.233 174.591 174.900 -0.127 0.000 1.570 141 G CA 0.036 45.066 45.100 -0.117 0.000 1.072 141 G HN 0.461 nan 8.290 nan 0.000 0.681 142 K N 1.491 121.775 120.400 -0.192 0.000 2.293 142 K HA 0.589 4.910 4.320 0.001 0.000 0.267 142 K C 0.194 176.494 176.600 -0.501 0.000 1.010 142 K CA 0.309 56.459 56.287 -0.229 0.000 0.875 142 K CB 1.506 33.890 32.500 -0.195 0.000 1.106 142 K HN 0.673 nan 8.250 nan 0.000 0.450 143 S N 1.136 116.749 115.700 -0.144 0.000 3.053 143 S HA 0.019 4.490 4.470 0.001 0.000 0.255 143 S C -0.122 174.713 174.600 0.391 0.000 0.976 143 S CA -0.399 57.789 58.200 -0.019 0.000 1.159 143 S CB -0.030 63.182 63.200 0.021 0.000 1.110 143 S HN 0.740 nan 8.310 nan 0.000 0.633 144 D N 1.987 122.705 120.400 0.531 0.000 2.697 144 D HA -0.122 4.518 4.640 0.001 0.000 0.238 144 D C 0.982 177.579 176.300 0.496 0.000 1.152 144 D CA 1.477 55.795 54.000 0.531 0.000 0.666 144 D CB -1.720 39.408 40.800 0.547 0.000 1.037 144 D HN 1.457 nan 8.370 nan 0.000 0.423 145 G N -0.294 108.826 108.800 0.533 0.000 2.341 145 G HA2 0.085 4.045 3.960 0.001 0.000 0.292 145 G HA3 0.085 4.045 3.960 0.001 0.000 0.292 145 G C 1.479 176.633 174.900 0.423 0.000 1.021 145 G CA 0.976 46.394 45.100 0.529 0.000 0.905 145 G HN 1.832 nan 8.290 nan 0.000 0.508 146 G N -2.139 106.840 108.800 0.299 0.000 2.176 146 G HA2 -0.334 3.626 3.960 0.001 0.000 0.253 146 G HA3 -0.334 3.626 3.960 0.001 0.000 0.253 146 G C 0.802 175.722 174.900 0.034 0.000 0.979 146 G CA 0.886 46.063 45.100 0.128 0.000 0.641 146 G HN 0.999 nan 8.290 nan 0.000 0.530 147 Y N 1.125 121.550 120.300 0.209 0.000 2.578 147 Y HA 0.484 5.035 4.550 0.001 0.000 0.297 147 Y C 1.933 177.979 175.900 0.244 0.000 1.176 147 Y CA 0.900 59.117 58.100 0.195 0.000 1.315 147 Y CB 0.467 39.046 38.460 0.199 0.000 1.031 147 Y HN 0.543 nan 8.280 nan 0.000 0.524 148 A N 0.678 123.709 122.820 0.352 0.000 2.540 148 A HA 0.531 4.851 4.320 0.001 0.000 0.340 148 A C -0.614 177.045 177.584 0.125 0.000 1.424 148 A CA -0.464 51.784 52.037 0.352 0.000 0.940 148 A CB -0.395 18.911 19.000 0.509 0.000 1.149 148 A HN 0.010 nan 8.150 nan 0.000 0.505 149 V N 2.493 122.417 119.914 0.017 0.000 2.488 149 V HA 0.136 4.257 4.120 0.001 0.000 0.277 149 V C 1.044 177.051 176.094 -0.144 0.000 1.046 149 V CA 0.405 62.609 62.300 -0.160 0.000 0.986 149 V CB 1.252 32.799 31.823 -0.461 0.000 0.989 149 V HN 0.870 nan 8.190 nan 0.000 0.475 150 S N 2.524 118.121 115.700 -0.172 0.000 2.524 150 S HA 0.172 4.643 4.470 0.001 0.000 0.215 150 S C 0.533 174.823 174.600 -0.518 0.000 0.986 150 S CA 0.291 58.347 58.200 -0.239 0.000 0.911 150 S CB 0.325 63.402 63.200 -0.205 0.000 0.805 150 S HN 0.777 nan 8.310 nan 0.000 0.501 151 S N -0.542 114.899 115.700 -0.432 0.000 2.570 151 S HA 0.423 4.893 4.470 0.001 0.000 0.286 151 S C -1.058 173.299 174.600 -0.405 0.000 1.143 151 S CA -0.570 57.355 58.200 -0.459 0.000 0.921 151 S CB 0.346 63.372 63.200 -0.289 0.000 1.108 151 S HN 0.210 nan 8.310 nan 0.000 0.456 152 Y N 3.079 123.215 120.300 -0.272 0.000 2.466 152 Y HA 0.343 4.894 4.550 0.001 0.000 0.272 152 Y C 2.125 177.523 175.900 -0.836 0.000 1.169 152 Y CA -0.002 57.799 58.100 -0.498 0.000 1.285 152 Y CB 0.345 38.671 38.460 -0.223 0.000 1.078 152 Y HN 0.525 nan 8.280 nan 0.000 0.523 153 R N -1.093 119.185 120.500 -0.370 0.000 2.435 153 R HA 0.113 4.454 4.340 0.001 0.000 0.221 153 R C -0.686 175.797 176.300 0.305 0.000 0.885 153 R CA 0.075 56.004 56.100 -0.284 0.000 1.018 153 R CB 0.550 30.384 30.300 -0.777 0.000 1.259 153 R HN 0.069 nan 8.270 nan 0.000 0.597 154 D N 2.236 122.803 120.400 0.279 0.000 2.317 154 D HA 0.160 4.801 4.640 0.001 0.000 0.234 154 D C -0.042 176.434 176.300 0.294 0.000 1.112 154 D CA -0.166 53.975 54.000 0.235 0.000 0.840 154 D CB 2.338 43.167 40.800 0.049 0.000 1.078 154 D HN -0.228 nan 8.370 nan 0.000 0.486 155 V N 2.935 122.887 119.914 0.062 0.000 2.843 155 V HA -0.074 4.047 4.120 0.001 0.000 0.305 155 V C 1.135 177.155 176.094 -0.124 0.000 1.065 155 V CA -0.405 61.743 62.300 -0.254 0.000 1.116 155 V CB 0.663 32.312 31.823 -0.289 0.000 0.968 155 V HN 0.516 nan 8.190 nan 0.000 0.487 156 N N 6.690 125.300 118.700 -0.150 0.000 2.414 156 N HA 0.023 4.764 4.740 0.001 0.000 0.268 156 N C -1.098 174.367 175.510 -0.075 0.000 1.286 156 N CA -1.370 51.631 53.050 -0.082 0.000 0.896 156 N CB 1.295 39.740 38.487 -0.070 0.000 1.093 156 N HN 0.382 nan 8.380 nan 0.000 0.480 157 P HA -0.155 nan 4.420 nan 0.000 0.219 157 P C 0.691 177.964 177.300 -0.045 0.000 1.146 157 P CA 1.102 64.174 63.100 -0.048 0.000 0.808 157 P CB 0.146 31.821 31.700 -0.042 0.000 0.779 158 A N -0.442 122.353 122.820 -0.042 0.000 2.066 158 A HA -0.029 4.292 4.320 0.001 0.000 0.218 158 A C 2.296 179.859 177.584 -0.034 0.000 1.157 158 A CA 0.903 52.919 52.037 -0.035 0.000 0.670 158 A CB -1.199 17.783 19.000 -0.030 0.000 0.804 158 A HN 0.179 nan 8.150 nan 0.000 0.453 159 L N -2.228 118.968 121.223 -0.044 0.000 2.416 159 L HA 0.358 4.699 4.340 0.001 0.000 0.216 159 L C 1.350 178.186 176.870 -0.056 0.000 1.098 159 L CA 0.517 55.329 54.840 -0.047 0.000 0.840 159 L CB -0.162 41.858 42.059 -0.065 0.000 0.981 159 L HN 0.583 nan 8.230 nan 0.000 0.462 160 G N -0.164 108.599 108.800 -0.061 0.000 2.260 160 G HA2 0.002 3.963 3.960 0.001 0.000 0.250 160 G HA3 0.002 3.963 3.960 0.001 0.000 0.250 160 G C -0.693 174.172 174.900 -0.058 0.000 1.340 160 G CA -0.214 44.854 45.100 -0.055 0.000 1.056 160 G HN 0.040 nan 8.290 nan 0.000 0.471 161 T N -1.804 112.722 114.554 -0.046 0.000 2.950 161 T HA 0.577 4.928 4.350 0.001 0.000 0.288 161 T C 1.365 176.050 174.700 -0.026 0.000 1.035 161 T CA 0.232 62.315 62.100 -0.030 0.000 1.028 161 T CB 1.923 70.784 68.868 -0.011 0.000 1.109 161 T HN 1.390 nan 8.240 nan 0.000 0.514 162 I N 1.575 122.155 120.570 0.018 0.000 2.423 162 I HA 0.085 4.255 4.170 0.001 0.000 0.254 162 I C 2.232 178.374 176.117 0.042 0.000 1.151 162 I CA 1.783 63.123 61.300 0.066 0.000 1.421 162 I CB -0.949 37.162 38.000 0.185 0.000 1.079 162 I HN 0.918 nan 8.210 nan 0.000 0.431 163 G N -0.387 108.429 108.800 0.028 0.000 2.408 163 G HA2 -0.208 3.753 3.960 0.001 0.000 0.217 163 G HA3 -0.208 3.753 3.960 0.001 0.000 0.217 163 G C 1.400 176.297 174.900 -0.004 0.000 1.150 163 G CA 0.805 45.914 45.100 0.015 0.000 0.776 163 G HN 0.382 nan 8.290 nan 0.000 0.542 164 D N 0.097 120.488 120.400 -0.016 0.000 2.183 164 D HA -0.061 4.579 4.640 0.001 0.000 0.203 164 D C 2.377 178.656 176.300 -0.034 0.000 0.969 164 D CA 0.381 54.366 54.000 -0.026 0.000 0.842 164 D CB -0.046 40.733 40.800 -0.034 0.000 0.957 164 D HN 0.244 nan 8.370 nan 0.000 0.484 165 L N 1.388 122.586 121.223 -0.042 0.000 2.056 165 L HA -0.085 4.256 4.340 0.001 0.000 0.207 165 L C 2.148 178.993 176.870 -0.041 0.000 1.078 165 L CA 1.540 56.349 54.840 -0.052 0.000 0.749 165 L CB -0.266 41.754 42.059 -0.065 0.000 0.901 165 L HN -0.169 nan 8.230 nan 0.000 0.433 166 R N -0.417 120.067 120.500 -0.026 0.000 2.096 166 R HA -0.137 4.204 4.340 0.001 0.000 0.235 166 R C 2.104 178.383 176.300 -0.035 0.000 1.127 166 R CA 1.613 57.695 56.100 -0.030 0.000 0.968 166 R CB -0.297 29.994 30.300 -0.016 0.000 0.861 166 R HN 0.555 nan 8.270 nan 0.000 0.440 167 E N 0.143 120.327 120.200 -0.027 0.000 2.072 167 E HA -0.136 4.215 4.350 0.001 0.000 0.191 167 E C 2.081 178.660 176.600 -0.034 0.000 0.985 167 E CA 1.166 57.551 56.400 -0.025 0.000 0.801 167 E CB 0.029 29.718 29.700 -0.018 0.000 0.750 167 E HN 0.074 nan 8.360 nan 0.000 0.452 168 V N 1.632 121.523 119.914 -0.040 0.000 2.295 168 V HA -0.271 3.850 4.120 0.001 0.000 0.246 168 V C 2.273 178.316 176.094 -0.085 0.000 1.049 168 V CA 1.595 63.871 62.300 -0.041 0.000 1.024 168 V CB -0.389 31.413 31.823 -0.035 0.000 0.648 168 V HN 0.270 nan 8.190 nan 0.000 0.447 169 I N 0.337 120.833 120.570 -0.124 0.000 2.208 169 I HA -0.266 3.904 4.170 0.001 0.000 0.245 169 I C 2.646 178.581 176.117 -0.303 0.000 1.097 169 I CA 1.547 62.696 61.300 -0.252 0.000 1.363 169 I CB -0.592 37.286 38.000 -0.203 0.000 1.051 169 I HN 0.308 nan 8.210 nan 0.000 0.413 170 A N 0.712 123.460 122.820 -0.120 0.000 1.902 170 A HA -0.137 4.184 4.320 0.001 0.000 0.217 170 A C 2.548 180.124 177.584 -0.014 0.000 1.181 170 A CA 1.797 53.818 52.037 -0.027 0.000 0.623 170 A CB -0.817 18.183 19.000 -0.001 0.000 0.818 170 A HN 0.427 nan 8.150 nan 0.000 0.443 171 A N -0.354 122.449 122.820 -0.028 0.000 1.933 171 A HA -0.009 4.312 4.320 0.001 0.000 0.218 171 A C 2.174 179.761 177.584 0.005 0.000 1.175 171 A CA 1.415 53.451 52.037 -0.001 0.000 0.628 171 A CB -0.559 18.442 19.000 0.002 0.000 0.814 171 A HN 0.471 nan 8.150 nan 0.000 0.444 172 L N -1.376 119.819 121.223 -0.047 0.000 2.017 172 L HA -0.187 4.154 4.340 0.001 0.000 0.208 172 L C 2.637 179.512 176.870 0.009 0.000 1.073 172 L CA 1.317 56.132 54.840 -0.042 0.000 0.745 172 L CB -0.751 41.224 42.059 -0.141 0.000 0.894 172 L HN 0.437 nan 8.230 nan 0.000 0.432 173 H N -0.735 118.327 119.070 -0.014 0.000 2.421 173 H HA -0.180 4.377 4.556 0.001 0.000 0.298 173 H C 2.118 177.434 175.328 -0.020 0.000 1.087 173 H CA 1.387 57.416 56.048 -0.032 0.000 1.330 173 H CB -0.048 29.685 29.762 -0.048 0.000 1.388 173 H HN 0.292 nan 8.280 nan 0.000 0.526 174 E N 0.857 121.125 120.200 0.113 0.000 2.150 174 E HA -0.016 4.335 4.350 0.001 0.000 0.193 174 E C 1.828 178.460 176.600 0.054 0.000 0.985 174 E CA 0.971 57.409 56.400 0.063 0.000 0.814 174 E CB -0.104 29.622 29.700 0.043 0.000 0.752 174 E HN 0.353 nan 8.360 nan 0.000 0.466 175 A N -0.497 122.360 122.820 0.062 0.000 2.302 175 A HA 0.411 4.731 4.320 0.001 0.000 0.219 175 A C 1.360 178.985 177.584 0.067 0.000 1.243 175 A CA 0.580 52.655 52.037 0.063 0.000 0.856 175 A CB -0.823 18.224 19.000 0.078 0.000 0.893 175 A HN 0.370 nan 8.150 nan 0.000 0.491 176 G N -0.358 108.481 108.800 0.066 0.000 2.272 176 G HA2 -0.219 3.741 3.960 0.001 0.000 0.280 176 G HA3 -0.219 3.741 3.960 0.001 0.000 0.280 176 G C -0.156 174.791 174.900 0.079 0.000 1.067 176 G CA 0.538 45.673 45.100 0.060 0.000 0.902 176 G HN 0.559 nan 8.290 nan 0.000 0.500 177 I N 0.525 121.151 120.570 0.095 0.000 2.499 177 I HA 0.321 4.491 4.170 0.001 0.000 0.288 177 I C 0.361 176.535 176.117 0.094 0.000 1.048 177 I CA -0.769 60.583 61.300 0.086 0.000 1.062 177 I CB 2.089 40.125 38.000 0.059 0.000 1.238 177 I HN 0.084 nan 8.210 nan 0.000 0.426 178 S N 4.152 119.905 115.700 0.087 0.000 2.565 178 S HA 0.546 5.017 4.470 0.001 0.000 0.276 178 S C 0.181 174.733 174.600 -0.080 0.000 1.326 178 S CA -0.636 57.603 58.200 0.064 0.000 1.045 178 S CB 1.356 64.598 63.200 0.070 0.000 0.918 178 S HN 0.675 nan 8.310 nan 0.000 0.505 179 A N 2.963 125.727 122.820 -0.093 0.000 2.289 179 A HA 0.642 4.963 4.320 0.001 0.000 0.298 179 A C -0.546 176.955 177.584 -0.140 0.000 1.208 179 A CA -0.552 51.393 52.037 -0.152 0.000 0.845 179 A CB 0.296 19.179 19.000 -0.195 0.000 1.125 179 A HN 0.620 nan 8.150 nan 0.000 0.517 180 V N 3.675 123.497 119.914 -0.153 0.000 2.588 180 V HA 0.646 4.767 4.120 0.001 0.000 0.304 180 V C -0.074 176.081 176.094 0.102 0.000 1.042 180 V CA -0.347 61.878 62.300 -0.126 0.000 0.877 180 V CB 1.387 32.979 31.823 -0.384 0.000 0.996 180 V HN 1.157 nan 8.190 nan 0.000 0.425 181 V N 0.769 120.744 119.914 0.101 0.000 3.181 181 V HA 0.729 4.850 4.120 0.001 0.000 0.308 181 V C -0.827 175.373 176.094 0.177 0.000 1.214 181 V CA -1.038 61.394 62.300 0.220 0.000 1.053 181 V CB 2.210 34.153 31.823 0.199 0.000 1.069 181 V HN 0.708 nan 8.190 nan 0.000 0.441 182 D N 0.918 121.466 120.400 0.246 0.000 2.329 182 D HA 0.547 5.187 4.640 0.001 0.000 0.246 182 D C -1.156 175.287 176.300 0.238 0.000 1.111 182 D CA 0.273 54.389 54.000 0.194 0.000 0.941 182 D CB 1.215 42.105 40.800 0.150 0.000 1.169 182 D HN 0.640 nan 8.370 nan 0.000 0.441 183 F N 2.072 122.020 119.950 -0.003 0.000 2.810 183 F HA 0.376 4.904 4.527 0.001 0.000 0.373 183 F C -1.060 174.767 175.800 0.045 0.000 1.174 183 F CA -0.942 57.028 58.000 -0.051 0.000 1.141 183 F CB 0.395 39.222 39.000 -0.289 0.000 1.420 183 F HN 0.283 nan 8.300 nan 0.000 0.518 184 I N 7.465 127.991 120.570 -0.073 0.000 2.268 184 I HA -0.021 4.150 4.170 0.001 0.000 0.298 184 I C 0.732 176.745 176.117 -0.173 0.000 1.185 184 I CA -0.074 61.191 61.300 -0.058 0.000 1.548 184 I CB -0.424 37.546 38.000 -0.050 0.000 1.492 184 I HN 0.514 nan 8.210 nan 0.000 0.711 185 F N 2.627 122.193 119.950 -0.639 0.000 2.797 185 F HA 0.109 4.637 4.527 0.001 0.000 0.302 185 F C 1.547 177.347 175.800 0.001 0.000 1.130 185 F CA 0.050 57.697 58.000 -0.588 0.000 1.387 185 F CB -0.917 37.559 39.000 -0.872 0.000 1.107 185 F HN 0.358 nan 8.300 nan 0.000 0.577 186 N N 0.138 118.740 118.700 -0.164 0.000 2.415 186 N HA -0.079 4.662 4.740 0.001 0.000 0.176 186 N C -0.334 175.351 175.510 0.292 0.000 1.042 186 N CA 0.608 53.672 53.050 0.023 0.000 0.902 186 N CB 0.117 38.716 38.487 0.186 0.000 0.986 186 N HN 0.566 nan 8.380 nan 0.000 0.447 187 H N -1.986 117.211 119.070 0.211 0.000 3.014 187 H HA 0.300 4.857 4.556 0.001 0.000 0.337 187 H C -1.042 174.459 175.328 0.288 0.000 1.320 187 H CA -0.658 55.570 56.048 0.299 0.000 1.128 187 H CB 1.041 31.007 29.762 0.340 0.000 1.862 187 H HN -0.018 nan 8.280 nan 0.000 0.536 188 T N -1.567 113.233 114.554 0.411 0.000 2.888 188 T HA 0.515 4.866 4.350 0.001 0.000 0.288 188 T C 0.258 175.090 174.700 0.219 0.000 1.063 188 T CA -0.341 61.877 62.100 0.197 0.000 1.010 188 T CB 1.504 70.413 68.868 0.068 0.000 1.214 188 T HN 0.857 nan 8.240 nan 0.000 0.533 189 S N 0.957 116.712 115.700 0.093 0.000 2.614 189 S HA 0.181 4.652 4.470 0.001 0.000 0.265 189 S C 1.062 175.513 174.600 -0.248 0.000 1.303 189 S CA -0.312 57.921 58.200 0.054 0.000 1.000 189 S CB 0.159 63.375 63.200 0.026 0.000 0.935 189 S HN 0.906 nan 8.310 nan 0.000 0.551 190 N N 0.117 118.542 118.700 -0.458 0.000 2.521 190 N HA -0.038 4.703 4.740 0.001 0.000 0.188 190 N C 0.520 175.634 175.510 -0.661 0.000 1.146 190 N CA 0.453 52.831 53.050 -1.120 0.000 0.893 190 N CB -0.433 37.448 38.487 -1.010 0.000 0.975 190 N HN 0.833 nan 8.380 nan 0.000 0.451 191 E N -1.031 118.960 120.200 -0.349 0.000 2.498 191 E HA 0.025 4.376 4.350 0.001 0.000 0.203 191 E C -0.487 175.988 176.600 -0.208 0.000 1.013 191 E CA -0.289 55.963 56.400 -0.247 0.000 0.927 191 E CB 0.163 29.754 29.700 -0.182 0.000 1.012 191 E HN 0.523 nan 8.360 nan 0.000 0.482 192 H N 0.946 119.840 119.070 -0.294 0.000 2.790 192 H HA -0.005 4.552 4.556 0.001 0.000 0.358 192 H C 1.390 176.568 175.328 -0.249 0.000 1.103 192 H CA 0.483 56.362 56.048 -0.281 0.000 1.426 192 H CB 0.898 30.496 29.762 -0.274 0.000 1.424 192 H HN -0.017 nan 8.280 nan 0.000 0.599 193 E N 3.280 123.336 120.200 -0.239 0.000 2.097 193 E HA -0.224 4.127 4.350 0.001 0.000 0.196 193 E C 1.081 177.661 176.600 -0.034 0.000 1.000 193 E CA 1.504 57.828 56.400 -0.126 0.000 0.804 193 E CB 0.003 29.609 29.700 -0.156 0.000 0.740 193 E HN 0.735 nan 8.360 nan 0.000 0.454 194 W N 0.251 121.538 121.300 -0.023 0.000 2.338 194 W HA -0.080 4.581 4.660 0.001 0.000 0.304 194 W C 2.458 178.973 176.519 -0.007 0.000 1.212 194 W CA 0.908 58.038 57.345 -0.359 0.000 1.264 194 W CB -1.350 28.149 29.460 0.065 0.000 1.142 194 W HN 0.190 nan 8.180 nan 0.000 0.512 195 A N 0.209 123.191 122.820 0.270 0.000 1.873 195 A HA -0.236 4.085 4.320 0.001 0.000 0.215 195 A C 2.015 179.558 177.584 -0.068 0.000 1.186 195 A CA 1.875 53.831 52.037 -0.135 0.000 0.616 195 A CB -0.888 17.710 19.000 -0.669 0.000 0.823 195 A HN 0.392 nan 8.150 nan 0.000 0.442 196 Q N -0.634 119.095 119.800 -0.119 0.000 2.020 196 Q HA -0.171 4.170 4.340 0.001 0.000 0.202 196 Q C 2.380 178.375 176.000 -0.009 0.000 0.982 196 Q CA 1.729 57.485 55.803 -0.078 0.000 0.838 196 Q CB -0.212 28.462 28.738 -0.107 0.000 0.899 196 Q HN 0.615 nan 8.270 nan 0.000 0.423 197 R N -0.142 120.317 120.500 -0.067 0.000 2.096 197 R HA -0.118 4.222 4.340 0.001 0.000 0.235 197 R C 2.580 178.941 176.300 0.102 0.000 1.127 197 R CA 1.201 57.282 56.100 -0.032 0.000 0.968 197 R CB -0.642 29.538 30.300 -0.199 0.000 0.861 197 R HN 0.355 nan 8.270 nan 0.000 0.440 198 C N 0.572 119.974 119.300 0.170 0.000 2.453 198 C HA 0.007 4.468 4.460 0.001 0.000 0.277 198 C C 2.911 178.048 174.990 0.245 0.000 1.262 198 C CA 1.068 60.271 59.018 0.309 0.000 1.718 198 C CB -0.883 27.183 27.740 0.543 0.000 2.031 198 C HN 0.563 nan 8.230 nan 0.000 0.480 199 A N 0.244 123.215 122.820 0.251 0.000 1.969 199 A HA 0.180 4.501 4.320 0.001 0.000 0.218 199 A C 2.393 180.060 177.584 0.139 0.000 1.169 199 A CA 1.920 54.087 52.037 0.217 0.000 0.635 199 A CB -1.034 18.162 19.000 0.328 0.000 0.810 199 A HN 0.922 nan 8.150 nan 0.000 0.445 200 A N -1.791 121.098 122.820 0.115 0.000 2.121 200 A HA 0.350 4.671 4.320 0.001 0.000 0.218 200 A C 1.885 179.516 177.584 0.078 0.000 1.154 200 A CA 1.472 53.557 52.037 0.079 0.000 0.679 200 A CB -0.870 18.164 19.000 0.056 0.000 0.795 200 A HN 1.907 nan 8.150 nan 0.000 0.458 201 G N -0.670 108.189 108.800 0.099 0.000 2.141 201 G HA2 -0.215 3.746 3.960 0.001 0.000 0.231 201 G HA3 -0.215 3.746 3.960 0.001 0.000 0.231 201 G C -0.122 174.830 174.900 0.086 0.000 0.984 201 G CA 0.218 45.371 45.100 0.088 0.000 0.660 201 G HN 0.612 nan 8.290 nan 0.000 0.525 202 D N 1.230 121.693 120.400 0.106 0.000 2.434 202 D HA 0.180 4.821 4.640 0.001 0.000 0.252 202 D C 0.182 176.538 176.300 0.093 0.000 1.185 202 D CA -0.838 53.227 54.000 0.108 0.000 0.886 202 D CB 1.326 42.227 40.800 0.167 0.000 1.148 202 D HN 0.226 nan 8.370 nan 0.000 0.483 203 P HA -0.171 nan 4.420 nan 0.000 0.221 203 P C 1.495 178.747 177.300 -0.079 0.000 1.145 203 P CA 0.321 63.419 63.100 -0.003 0.000 0.795 203 P CB 0.335 32.025 31.700 -0.016 0.000 0.775 204 L N -1.875 119.271 121.223 -0.129 0.000 2.478 204 L HA 0.150 4.490 4.340 0.001 0.000 0.223 204 L C 1.091 177.478 176.870 -0.804 0.000 1.140 204 L CA 1.360 55.957 54.840 -0.405 0.000 0.842 204 L CB -0.887 40.938 42.059 -0.390 0.000 0.953 204 L HN -0.226 nan 8.230 nan 0.000 0.452 205 F N -1.209 118.605 119.950 -0.227 0.000 2.814 205 F HA 0.282 4.810 4.527 0.001 0.000 0.326 205 F C 0.409 176.217 175.800 0.013 0.000 1.159 205 F CA -1.201 56.572 58.000 -0.378 0.000 1.234 205 F CB -0.014 38.731 39.000 -0.426 0.000 1.016 205 F HN -0.059 nan 8.300 nan 0.000 0.510 206 D N 0.626 121.108 120.400 0.137 0.000 2.458 206 D HA 0.023 4.664 4.640 0.001 0.000 0.243 206 D C 0.802 177.239 176.300 0.229 0.000 1.146 206 D CA 0.941 55.040 54.000 0.165 0.000 0.877 206 D CB 0.367 41.219 40.800 0.088 0.000 1.176 206 D HN 0.169 nan 8.370 nan 0.000 0.461 207 N N 2.430 121.237 118.700 0.179 0.000 2.754 207 N HA -0.245 4.496 4.740 0.001 0.000 0.248 207 N C -0.436 175.106 175.510 0.054 0.000 1.093 207 N CA 0.374 53.469 53.050 0.075 0.000 0.699 207 N CB -1.412 37.089 38.487 0.024 0.000 1.016 207 N HN 0.392 nan 8.380 nan 0.000 0.552 208 F N -0.932 118.999 119.950 -0.032 0.000 2.754 208 F HA 0.309 4.837 4.527 0.001 0.000 0.297 208 F C 0.430 175.896 175.800 -0.556 0.000 1.122 208 F CA 0.566 58.437 58.000 -0.215 0.000 1.400 208 F CB 0.174 39.161 39.000 -0.021 0.000 1.117 208 F HN 0.146 nan 8.300 nan 0.000 0.587 209 Y N -3.128 117.206 120.300 0.057 0.000 2.818 209 Y HA 0.410 4.961 4.550 0.001 0.000 0.322 209 Y C -1.235 174.518 175.900 -0.245 0.000 1.323 209 Y CA -1.852 56.239 58.100 -0.014 0.000 1.090 209 Y CB 0.540 39.145 38.460 0.241 0.000 1.328 209 Y HN -0.341 nan 8.280 nan 0.000 0.482 210 Y N 1.871 122.288 120.300 0.195 0.000 2.491 210 Y HA 0.562 5.112 4.550 0.001 0.000 0.334 210 Y C -0.565 175.258 175.900 -0.127 0.000 0.969 210 Y CA -0.557 57.563 58.100 0.033 0.000 1.241 210 Y CB 0.399 39.072 38.460 0.355 0.000 1.105 210 Y HN 0.153 nan 8.280 nan 0.000 0.503 211 I N 4.474 124.875 120.570 -0.281 0.000 2.406 211 I HA 0.421 4.592 4.170 0.001 0.000 0.290 211 I C -0.964 174.872 176.117 -0.468 0.000 0.999 211 I CA -0.715 60.439 61.300 -0.242 0.000 1.124 211 I CB 1.317 39.256 38.000 -0.102 0.000 1.289 211 I HN 0.303 nan 8.210 nan 0.000 0.441 212 F N 6.335 126.396 119.950 0.185 0.000 2.538 212 F HA 0.463 4.991 4.527 0.001 0.000 0.325 212 F C -1.501 174.387 175.800 0.148 0.000 1.066 212 F CA -1.901 56.188 58.000 0.149 0.000 0.946 212 F CB 1.015 40.072 39.000 0.096 0.000 1.199 212 F HN 0.294 nan 8.300 nan 0.000 0.473 213 P HA -0.045 nan 4.420 nan 0.000 0.222 213 P C -0.605 176.839 177.300 0.240 0.000 1.153 213 P CA 1.395 64.616 63.100 0.201 0.000 0.798 213 P CB 0.302 32.086 31.700 0.140 0.000 0.796 214 D N -2.871 117.670 120.400 0.234 0.000 3.236 214 D HA 0.223 4.863 4.640 0.001 0.000 0.325 214 D C 0.797 177.025 176.300 -0.120 0.000 1.352 214 D CA -0.705 53.395 54.000 0.167 0.000 0.979 214 D CB 0.045 40.880 40.800 0.059 0.000 1.410 214 D HN -0.399 nan 8.370 nan 0.000 0.588 215 R N -0.373 119.922 120.500 -0.341 0.000 2.317 215 R HA 0.223 4.563 4.340 0.001 0.000 0.208 215 R C 1.790 177.791 176.300 -0.499 0.000 0.914 215 R CA 0.037 55.749 56.100 -0.647 0.000 1.060 215 R CB -0.454 29.452 30.300 -0.656 0.000 1.015 215 R HN 0.500 nan 8.270 nan 0.000 0.498 216 R N 0.695 120.998 120.500 -0.329 0.000 2.097 216 R HA -0.097 4.243 4.340 0.001 0.000 0.236 216 R C 1.962 178.019 176.300 -0.405 0.000 1.135 216 R CA 1.826 57.752 56.100 -0.290 0.000 0.934 216 R CB -0.067 30.128 30.300 -0.175 0.000 0.846 216 R HN 0.086 nan 8.270 nan 0.000 0.431 217 M N -0.562 118.745 119.600 -0.489 0.000 2.156 217 M HA -0.033 4.448 4.480 0.001 0.000 0.264 217 M C -0.855 174.891 176.300 -0.923 0.000 1.067 217 M CA 1.276 56.163 55.300 -0.689 0.000 1.131 217 M CB -0.701 31.493 32.600 -0.677 0.000 1.368 217 M HN 0.116 nan 8.290 nan 0.000 0.416 218 P HA -0.159 nan 4.420 nan 0.000 0.215 218 P C 0.640 177.411 177.300 -0.881 0.000 1.157 218 P CA 1.403 63.490 63.100 -1.689 0.000 0.874 218 P CB -0.108 30.520 31.700 -1.786 0.000 0.790 219 D N -1.005 118.998 120.400 -0.662 0.000 2.123 219 D HA -0.183 4.458 4.640 0.001 0.000 0.196 219 D C 2.111 178.217 176.300 -0.323 0.000 0.992 219 D CA 1.207 54.956 54.000 -0.419 0.000 0.833 219 D CB -0.590 39.997 40.800 -0.355 0.000 0.954 219 D HN 0.282 nan 8.370 nan 0.000 0.455 220 Q N -0.991 118.579 119.800 -0.384 0.000 2.084 220 Q HA -0.166 4.174 4.340 0.001 0.000 0.202 220 Q C 2.061 177.903 176.000 -0.264 0.000 0.978 220 Q CA 0.998 56.602 55.803 -0.332 0.000 0.844 220 Q CB -0.146 28.337 28.738 -0.425 0.000 0.898 220 Q HN 0.399 nan 8.270 nan 0.000 0.426 221 Y N 1.148 121.288 120.300 -0.265 0.000 2.181 221 Y HA -0.204 4.347 4.550 0.001 0.000 0.288 221 Y C 1.908 177.753 175.900 -0.091 0.000 1.146 221 Y CA 1.158 59.167 58.100 -0.151 0.000 1.164 221 Y CB -0.223 38.122 38.460 -0.192 0.000 0.982 221 Y HN 0.119 nan 8.280 nan 0.000 0.515 222 D N -0.402 120.027 120.400 0.049 0.000 2.309 222 D HA -0.120 4.521 4.640 0.001 0.000 0.212 222 D C 1.998 178.289 176.300 -0.016 0.000 0.968 222 D CA 0.733 54.741 54.000 0.013 0.000 0.882 222 D CB -0.211 40.567 40.800 -0.037 0.000 0.918 222 D HN 0.345 nan 8.370 nan 0.000 0.503 223 R N -0.438 120.041 120.500 -0.034 0.000 2.152 223 R HA -0.069 4.271 4.340 0.001 0.000 0.232 223 R C 1.617 177.914 176.300 -0.004 0.000 1.117 223 R CA 1.580 57.660 56.100 -0.034 0.000 0.981 223 R CB -0.084 30.185 30.300 -0.051 0.000 0.870 223 R HN 0.239 nan 8.270 nan 0.000 0.451 224 T N -3.322 111.248 114.554 0.027 0.000 3.170 224 T HA 0.314 4.664 4.350 0.001 0.000 0.288 224 T C 0.295 175.030 174.700 0.059 0.000 0.992 224 T CA -0.397 61.730 62.100 0.044 0.000 0.909 224 T CB 0.223 69.128 68.868 0.061 0.000 1.133 224 T HN -0.100 nan 8.240 nan 0.000 0.530 225 L N 2.244 123.497 121.223 0.050 0.000 2.312 225 L HA 0.553 4.893 4.340 0.001 0.000 0.281 225 L C 0.590 177.465 176.870 0.010 0.000 1.070 225 L CA -1.120 53.746 54.840 0.043 0.000 0.805 225 L CB 1.276 43.337 42.059 0.004 0.000 1.174 225 L HN 0.184 nan 8.230 nan 0.000 0.434 226 R N 2.457 122.969 120.500 0.020 0.000 2.441 226 R HA 0.190 4.531 4.340 0.001 0.000 0.284 226 R C -0.568 175.695 176.300 -0.063 0.000 1.070 226 R CA -0.419 55.678 56.100 -0.005 0.000 1.047 226 R CB 0.726 31.043 30.300 0.028 0.000 1.016 226 R HN 0.561 nan 8.270 nan 0.000 0.477 227 E N 4.697 124.841 120.200 -0.093 0.000 2.167 227 E HA 0.094 4.445 4.350 0.001 0.000 0.284 227 E C 0.478 176.953 176.600 -0.209 0.000 1.016 227 E CA -0.574 55.728 56.400 -0.163 0.000 0.817 227 E CB 1.220 30.834 29.700 -0.142 0.000 1.080 227 E HN 0.533 nan 8.360 nan 0.000 0.397 228 I N 1.763 122.123 120.570 -0.350 0.000 2.494 228 I HA -0.038 4.133 4.170 0.001 0.000 0.250 228 I C 0.687 176.546 176.117 -0.431 0.000 1.112 228 I CA 0.930 61.948 61.300 -0.469 0.000 1.438 228 I CB -0.118 37.398 38.000 -0.806 0.000 1.111 228 I HN 0.440 nan 8.210 nan 0.000 0.431 229 F N 2.844 122.652 119.950 -0.238 0.000 2.530 229 F HA 0.377 4.904 4.527 0.001 0.000 0.318 229 F C -1.422 174.185 175.800 -0.321 0.000 1.356 229 F CA -3.279 54.568 58.000 -0.256 0.000 1.135 229 F CB -0.320 38.584 39.000 -0.159 0.000 1.315 229 F HN -0.058 nan 8.300 nan 0.000 0.549 230 P HA -0.200 nan 4.420 nan 0.000 0.218 230 P C 0.833 178.079 177.300 -0.089 0.000 1.146 230 P CA 1.449 64.463 63.100 -0.142 0.000 0.813 230 P CB 0.546 32.168 31.700 -0.131 0.000 0.778 231 D N -0.730 119.630 120.400 -0.066 0.000 2.144 231 D HA -0.134 4.506 4.640 0.001 0.000 0.199 231 D C 2.279 178.588 176.300 0.014 0.000 0.984 231 D CA 1.056 55.043 54.000 -0.022 0.000 0.834 231 D CB -0.304 40.474 40.800 -0.037 0.000 0.955 231 D HN 0.158 nan 8.370 nan 0.000 0.465 232 Q N -0.341 119.461 119.800 0.003 0.000 2.096 232 Q HA 0.022 4.363 4.340 0.001 0.000 0.197 232 Q C 0.387 176.473 176.000 0.143 0.000 0.964 232 Q CA 1.200 57.048 55.803 0.075 0.000 0.838 232 Q CB -0.009 28.798 28.738 0.115 0.000 0.906 232 Q HN 0.609 nan 8.270 nan 0.000 0.444 233 H N -3.539 115.580 119.070 0.081 0.000 3.005 233 H HA 0.448 5.005 4.556 0.001 0.000 0.311 233 H C -2.991 172.363 175.328 0.043 0.000 1.366 233 H CA -1.817 54.277 56.048 0.077 0.000 1.210 233 H CB 0.493 30.316 29.762 0.101 0.000 1.894 233 H HN -0.233 nan 8.280 nan 0.000 0.520 234 P HA 0.388 nan 4.420 nan 0.000 0.278 234 P C 0.755 178.158 177.300 0.172 0.000 1.258 234 P CA 1.007 64.159 63.100 0.086 0.000 0.811 234 P CB 1.144 32.882 31.700 0.063 0.000 1.063 235 G N 1.075 109.904 108.800 0.049 0.000 2.578 235 G HA2 -0.155 3.805 3.960 0.001 0.000 0.275 235 G HA3 -0.155 3.805 3.960 0.001 0.000 0.275 235 G C 0.529 175.444 174.900 0.025 0.000 1.271 235 G CA 0.038 45.159 45.100 0.036 0.000 0.941 235 G HN 0.828 nan 8.290 nan 0.000 0.564 236 G N -1.384 107.309 108.800 -0.178 0.000 3.993 236 G HA2 0.595 4.556 3.960 0.001 0.000 0.294 236 G HA3 0.595 4.556 3.960 0.001 0.000 0.294 236 G C -0.295 173.975 174.900 -1.051 0.000 1.043 236 G CA -0.031 44.739 45.100 -0.550 0.000 0.839 236 G HN 0.545 nan 8.290 nan 0.000 0.516 237 F N 0.017 119.819 119.950 -0.248 0.000 2.588 237 F HA 0.720 5.248 4.527 0.001 0.000 0.314 237 F C 0.166 175.933 175.800 -0.055 0.000 1.069 237 F CA -0.983 56.921 58.000 -0.160 0.000 0.931 237 F CB 2.376 41.311 39.000 -0.108 0.000 1.260 237 F HN -0.149 nan 8.300 nan 0.000 0.465 238 S N 0.537 116.346 115.700 0.180 0.000 2.542 238 S HA 0.436 4.906 4.470 0.001 0.000 0.293 238 S C -1.215 173.319 174.600 -0.109 0.000 1.089 238 S CA -0.834 57.387 58.200 0.036 0.000 0.961 238 S CB 2.079 65.209 63.200 -0.117 0.000 1.062 238 S HN 0.636 nan 8.310 nan 0.000 0.483 239 Q N 2.449 121.851 119.800 -0.664 0.000 2.241 239 Q HA 0.548 4.889 4.340 0.001 0.000 0.254 239 Q C -1.020 174.659 176.000 -0.535 0.000 0.917 239 Q CA -0.586 54.488 55.803 -1.216 0.000 0.919 239 Q CB 0.592 28.070 28.738 -2.099 0.000 1.237 239 Q HN 0.608 nan 8.270 nan 0.000 0.434 240 L N 2.658 123.634 121.223 -0.411 0.000 2.468 240 L HA 0.159 4.500 4.340 0.001 0.000 0.254 240 L C 1.329 178.109 176.870 -0.150 0.000 1.171 240 L CA -0.314 54.428 54.840 -0.162 0.000 0.809 240 L CB 0.400 42.408 42.059 -0.085 0.000 1.155 240 L HN 0.825 nan 8.230 nan 0.000 0.473 241 E N 0.601 120.770 120.200 -0.052 0.000 2.153 241 E HA -0.222 4.128 4.350 0.001 0.000 0.194 241 E C 0.969 177.542 176.600 -0.045 0.000 0.988 241 E CA 1.523 57.898 56.400 -0.042 0.000 0.811 241 E CB -0.077 29.621 29.700 -0.003 0.000 0.746 241 E HN 0.762 nan 8.360 nan 0.000 0.466 242 D N -0.938 119.441 120.400 -0.035 0.000 2.363 242 D HA 0.013 4.654 4.640 0.001 0.000 0.226 242 D C 1.243 177.521 176.300 -0.037 0.000 1.020 242 D CA 0.790 54.778 54.000 -0.021 0.000 0.892 242 D CB 0.314 41.115 40.800 0.003 0.000 0.900 242 D HN 0.228 nan 8.370 nan 0.000 0.531 243 G N -0.325 108.416 108.800 -0.098 0.000 2.234 243 G HA2 -0.304 3.657 3.960 0.001 0.000 0.235 243 G HA3 -0.304 3.657 3.960 0.001 0.000 0.235 243 G C 0.506 175.319 174.900 -0.146 0.000 0.997 243 G CA -0.117 44.918 45.100 -0.109 0.000 0.623 243 G HN 0.444 nan 8.290 nan 0.000 0.514 244 R N -0.897 119.538 120.500 -0.109 0.000 2.726 244 R HA 0.480 4.821 4.340 0.001 0.000 0.272 244 R C -0.530 175.655 176.300 -0.192 0.000 1.097 244 R CA 0.006 56.097 56.100 -0.015 0.000 1.198 244 R CB 0.381 30.694 30.300 0.022 0.000 1.114 244 R HN 0.244 nan 8.270 nan 0.000 0.550 245 W N 0.386 121.723 121.300 0.062 0.000 2.702 245 W HA 0.483 5.143 4.660 0.001 0.000 0.331 245 W C -0.715 175.894 176.519 0.149 0.000 1.049 245 W CA -0.522 56.873 57.345 0.082 0.000 1.230 245 W CB 1.574 31.073 29.460 0.065 0.000 1.408 245 W HN 0.147 nan 8.180 nan 0.000 0.492 246 V N 4.260 124.308 119.914 0.223 0.000 2.715 246 V HA 0.488 4.609 4.120 0.001 0.000 0.310 246 V C -0.938 175.324 176.094 0.280 0.000 1.054 246 V CA -0.986 61.355 62.300 0.069 0.000 0.928 246 V CB 1.536 32.937 31.823 -0.702 0.000 1.007 246 V HN 0.619 nan 8.190 nan 0.000 0.437 247 W N 5.641 127.063 121.300 0.205 0.000 2.368 247 W HA 0.427 5.088 4.660 0.001 0.000 0.316 247 W C -0.105 176.307 176.519 -0.178 0.000 1.375 247 W CA 0.385 57.670 57.345 -0.101 0.000 1.261 247 W CB 0.847 30.263 29.460 -0.073 0.000 1.298 247 W HN 0.781 nan 8.180 nan 0.000 0.539 248 T N 1.790 116.357 114.554 0.022 0.000 3.135 248 T HA 0.132 4.483 4.350 0.001 0.000 0.357 248 T C 0.685 175.349 174.700 -0.060 0.000 1.112 248 T CA -0.504 61.623 62.100 0.044 0.000 1.290 248 T CB 0.802 69.657 68.868 -0.022 0.000 1.018 248 T HN 0.261 nan 8.240 nan 0.000 0.527 249 T N 2.347 116.804 114.554 -0.163 0.000 2.759 249 T HA 0.059 4.410 4.350 0.001 0.000 0.269 249 T C 0.431 174.612 174.700 -0.865 0.000 1.042 249 T CA 1.577 63.306 62.100 -0.619 0.000 1.140 249 T CB -0.323 67.840 68.868 -1.176 0.000 0.864 249 T HN 0.582 nan 8.240 nan 0.000 0.455 250 F N 0.270 120.079 119.950 -0.236 0.000 2.935 250 F HA 0.374 4.902 4.527 0.001 0.000 0.167 250 F C 1.280 177.186 175.800 0.178 0.000 1.379 250 F CA -1.119 56.767 58.000 -0.191 0.000 0.910 250 F CB -0.477 38.354 39.000 -0.282 0.000 2.105 250 F HN -0.206 nan 8.300 nan 0.000 0.514 251 N N 0.352 119.247 118.700 0.324 0.000 2.415 251 N HA 0.008 4.748 4.740 0.001 0.000 0.248 251 N C 0.820 176.259 175.510 -0.118 0.000 1.271 251 N CA 0.249 53.243 53.050 -0.094 0.000 0.913 251 N CB 1.184 39.043 38.487 -1.047 0.000 1.129 251 N HN 0.257 nan 8.380 nan 0.000 0.444 252 S N 0.484 116.161 115.700 -0.039 0.000 2.442 252 S HA -0.133 4.338 4.470 0.001 0.000 0.236 252 S C 1.185 175.925 174.600 0.232 0.000 1.007 252 S CA 0.968 59.215 58.200 0.078 0.000 0.965 252 S CB -0.295 62.986 63.200 0.135 0.000 0.773 252 S HN 0.624 nan 8.310 nan 0.000 0.504 253 F N 1.025 121.147 119.950 0.288 0.000 2.664 253 F HA 0.497 5.025 4.527 0.001 0.000 0.301 253 F C 0.209 176.133 175.800 0.206 0.000 1.126 253 F CA -0.780 57.343 58.000 0.206 0.000 1.373 253 F CB -0.623 38.447 39.000 0.117 0.000 1.042 253 F HN -0.033 nan 8.300 nan 0.000 0.535 254 Q N 1.066 121.026 119.800 0.267 0.000 2.363 254 Q HA 0.227 4.567 4.340 0.001 0.000 0.265 254 Q C -1.626 174.720 176.000 0.575 0.000 1.032 254 Q CA -0.606 55.426 55.803 0.383 0.000 0.746 254 Q CB 1.165 30.060 28.738 0.262 0.000 1.237 254 Q HN 0.236 nan 8.270 nan 0.000 0.475 255 W N 2.028 123.492 121.300 0.273 0.000 2.361 255 W HA 0.257 4.918 4.660 0.001 0.000 0.309 255 W C -0.331 176.485 176.519 0.495 0.000 1.122 255 W CA -1.341 56.185 57.345 0.302 0.000 1.208 255 W CB 0.566 30.070 29.460 0.075 0.000 1.246 255 W HN 0.483 nan 8.180 nan 0.000 0.490 256 D N 2.677 123.434 120.400 0.595 0.000 2.401 256 D HA 0.140 4.780 4.640 0.001 0.000 0.254 256 D C 0.231 176.805 176.300 0.457 0.000 1.192 256 D CA 0.201 54.457 54.000 0.427 0.000 0.885 256 D CB 0.605 41.446 40.800 0.068 0.000 1.147 256 D HN 0.045 nan 8.370 nan 0.000 0.478 257 L N 2.588 123.954 121.223 0.240 0.000 2.456 257 L HA 0.089 4.430 4.340 0.001 0.000 0.272 257 L C 1.003 177.736 176.870 -0.227 0.000 1.189 257 L CA 0.032 54.768 54.840 -0.173 0.000 0.846 257 L CB 0.322 42.204 42.059 -0.294 0.000 1.111 257 L HN 0.413 nan 8.230 nan 0.000 0.475 258 N N 1.232 119.604 118.700 -0.546 0.000 2.868 258 N HA 0.086 4.827 4.740 0.001 0.000 0.252 258 N C 0.135 175.378 175.510 -0.447 0.000 1.130 258 N CA -0.350 52.297 53.050 -0.671 0.000 1.026 258 N CB 0.269 38.175 38.487 -0.969 0.000 1.335 258 N HN 0.469 nan 8.380 nan 0.000 0.516 259 Y N 0.668 120.934 120.300 -0.058 0.000 2.680 259 Y HA -0.114 4.437 4.550 0.001 0.000 0.303 259 Y C 2.425 178.496 175.900 0.284 0.000 1.166 259 Y CA 0.400 58.594 58.100 0.157 0.000 1.344 259 Y CB 0.005 38.659 38.460 0.324 0.000 1.002 259 Y HN 0.570 nan 8.280 nan 0.000 0.537 260 S N -0.977 114.772 115.700 0.082 0.000 2.561 260 S HA -0.057 4.413 4.470 0.001 0.000 0.225 260 S C 0.692 175.449 174.600 0.262 0.000 0.977 260 S CA 0.018 58.297 58.200 0.132 0.000 0.926 260 S CB -0.302 62.781 63.200 -0.196 0.000 0.769 260 S HN 0.305 nan 8.310 nan 0.000 0.533 261 N N 2.808 121.550 118.700 0.070 0.000 2.457 261 N HA 0.327 5.068 4.740 0.001 0.000 0.250 261 N C -1.733 173.693 175.510 -0.140 0.000 0.982 261 N CA -2.470 50.545 53.050 -0.058 0.000 0.941 261 N CB 1.714 40.083 38.487 -0.196 0.000 1.120 261 N HN 0.014 nan 8.380 nan 0.000 0.505 262 P HA -0.128 nan 4.420 nan 0.000 0.218 262 P C 0.842 177.812 177.300 -0.548 0.000 1.146 262 P CA 1.234 63.774 63.100 -0.934 0.000 0.813 262 P CB 0.021 30.851 31.700 -1.451 0.000 0.778 263 W N -0.333 120.823 121.300 -0.241 0.000 2.465 263 W HA -0.058 4.603 4.660 0.001 0.000 0.268 263 W C 2.295 178.608 176.519 -0.343 0.000 1.242 263 W CA -0.013 57.214 57.345 -0.197 0.000 1.248 263 W CB -0.767 28.615 29.460 -0.130 0.000 1.118 263 W HN -0.224 nan 8.180 nan 0.000 0.587 264 V N -0.168 119.510 119.914 -0.395 0.000 2.453 264 V HA -0.284 3.837 4.120 0.001 0.000 0.247 264 V C 1.814 177.837 176.094 -0.119 0.000 1.048 264 V CA 1.603 63.503 62.300 -0.666 0.000 1.049 264 V CB -0.942 30.356 31.823 -0.875 0.000 0.672 264 V HN 0.175 nan 8.190 nan 0.000 0.457 265 F N 1.141 121.109 119.950 0.029 0.000 2.102 265 F HA -0.147 4.381 4.527 0.001 0.000 0.298 265 F C 2.636 178.551 175.800 0.191 0.000 1.105 265 F CA 1.861 60.024 58.000 0.273 0.000 1.239 265 F CB -0.308 38.795 39.000 0.173 0.000 0.991 265 F HN -0.091 nan 8.300 nan 0.000 0.474 266 R N 1.160 121.838 120.500 0.296 0.000 2.083 266 R HA -0.175 4.166 4.340 0.001 0.000 0.237 266 R C 2.290 178.707 176.300 0.195 0.000 1.137 266 R CA 1.640 57.891 56.100 0.251 0.000 0.951 266 R CB -1.252 29.224 30.300 0.293 0.000 0.851 266 R HN 0.438 nan 8.270 nan 0.000 0.434 267 A N 0.694 123.614 122.820 0.166 0.000 1.902 267 A HA -0.152 4.169 4.320 0.001 0.000 0.217 267 A C 2.226 179.995 177.584 0.308 0.000 1.181 267 A CA 1.669 53.804 52.037 0.164 0.000 0.623 267 A CB -0.356 18.588 19.000 -0.094 0.000 0.818 267 A HN 0.232 nan 8.150 nan 0.000 0.443 268 M N -0.579 119.208 119.600 0.312 0.000 2.319 268 M HA 0.002 4.483 4.480 0.001 0.000 0.265 268 M C 2.417 178.972 176.300 0.424 0.000 1.068 268 M CA 1.269 56.838 55.300 0.448 0.000 1.118 268 M CB -1.453 31.501 32.600 0.589 0.000 1.395 268 M HN 0.491 nan 8.290 nan 0.000 0.435 269 A N 0.216 123.200 122.820 0.273 0.000 1.930 269 A HA 0.047 4.368 4.320 0.001 0.000 0.217 269 A C 2.415 180.106 177.584 0.179 0.000 1.175 269 A CA 1.769 53.923 52.037 0.195 0.000 0.627 269 A CB -1.302 17.680 19.000 -0.031 0.000 0.815 269 A HN 0.487 nan 8.150 nan 0.000 0.443 270 G N -0.332 108.595 108.800 0.210 0.000 2.418 270 G HA2 -0.185 3.775 3.960 0.001 0.000 0.217 270 G HA3 -0.185 3.775 3.960 0.001 0.000 0.217 270 G C 1.360 176.393 174.900 0.222 0.000 1.158 270 G CA 0.981 46.212 45.100 0.219 0.000 0.771 270 G HN 0.460 nan 8.290 nan 0.000 0.545 271 E N -0.006 120.337 120.200 0.237 0.000 2.106 271 E HA -0.097 4.254 4.350 0.001 0.000 0.192 271 E C 2.319 178.979 176.600 0.099 0.000 0.984 271 E CA 0.640 57.162 56.400 0.202 0.000 0.806 271 E CB -0.435 29.341 29.700 0.126 0.000 0.750 271 E HN 0.537 nan 8.360 nan 0.000 0.458 272 M N 0.286 119.816 119.600 -0.116 0.000 2.117 272 M HA -0.131 4.350 4.480 0.001 0.000 0.262 272 M C 2.070 178.301 176.300 -0.115 0.000 1.065 272 M CA 1.198 56.238 55.300 -0.433 0.000 1.114 272 M CB -0.006 32.248 32.600 -0.577 0.000 1.361 272 M HN 0.048 nan 8.290 nan 0.000 0.408 273 L N -0.561 120.686 121.223 0.039 0.000 2.131 273 L HA -0.200 4.140 4.340 0.001 0.000 0.210 273 L C 2.404 179.333 176.870 0.098 0.000 1.092 273 L CA 1.102 55.996 54.840 0.090 0.000 0.759 273 L CB -0.780 41.365 42.059 0.144 0.000 0.903 273 L HN 0.350 nan 8.230 nan 0.000 0.435 274 F N 0.779 120.741 119.950 0.020 0.000 2.102 274 F HA -0.217 4.311 4.527 0.001 0.000 0.298 274 F C 2.173 177.988 175.800 0.025 0.000 1.105 274 F CA 1.547 59.568 58.000 0.034 0.000 1.239 274 F CB -0.240 38.789 39.000 0.048 0.000 0.991 274 F HN -0.143 nan 8.300 nan 0.000 0.474 275 L N 0.120 121.295 121.223 -0.080 0.000 2.046 275 L HA -0.207 4.134 4.340 0.001 0.000 0.208 275 L C 2.859 179.637 176.870 -0.154 0.000 1.077 275 L CA 1.225 55.973 54.840 -0.152 0.000 0.747 275 L CB -1.362 40.674 42.059 -0.039 0.000 0.896 275 L HN 0.286 nan 8.230 nan 0.000 0.432 276 A N 0.286 123.049 122.820 -0.095 0.000 1.908 276 A HA -0.233 4.087 4.320 0.001 0.000 0.218 276 A C 1.907 179.454 177.584 -0.062 0.000 1.181 276 A CA 2.135 54.145 52.037 -0.045 0.000 0.627 276 A CB -0.619 18.383 19.000 0.003 0.000 0.818 276 A HN 0.431 nan 8.150 nan 0.000 0.445 277 N N -0.273 118.365 118.700 -0.104 0.000 2.521 277 N HA 0.069 4.809 4.740 0.001 0.000 0.188 277 N C 1.141 176.557 175.510 -0.156 0.000 1.146 277 N CA 0.418 53.403 53.050 -0.109 0.000 0.893 277 N CB -0.245 38.188 38.487 -0.090 0.000 0.975 277 N HN 0.528 nan 8.380 nan 0.000 0.451 278 L N -1.307 119.787 121.223 -0.216 0.000 2.492 278 L HA 0.148 4.489 4.340 0.001 0.000 0.223 278 L C 1.158 177.985 176.870 -0.071 0.000 1.132 278 L CA 0.460 55.188 54.840 -0.188 0.000 0.850 278 L CB -0.103 41.817 42.059 -0.232 0.000 0.966 278 L HN 0.245 nan 8.230 nan 0.000 0.454 279 G N -0.197 108.585 108.800 -0.030 0.000 2.148 279 G HA2 -0.219 3.742 3.960 0.001 0.000 0.203 279 G HA3 -0.219 3.742 3.960 0.001 0.000 0.203 279 G C 0.192 175.163 174.900 0.118 0.000 0.993 279 G CA -0.157 44.988 45.100 0.075 0.000 0.661 279 G HN 0.037 nan 8.290 nan 0.000 0.518 280 V N 1.305 121.237 119.914 0.029 0.000 2.673 280 V HA 0.163 4.283 4.120 0.001 0.000 0.303 280 V C 1.286 177.410 176.094 0.050 0.000 1.046 280 V CA 0.985 63.302 62.300 0.029 0.000 1.126 280 V CB 1.212 33.044 31.823 0.016 0.000 0.934 280 V HN 0.360 nan 8.190 nan 0.000 0.487 281 D N 3.302 123.732 120.400 0.050 0.000 2.262 281 D HA 0.234 4.875 4.640 0.001 0.000 0.212 281 D C 0.296 176.662 176.300 0.110 0.000 0.964 281 D CA 1.055 55.080 54.000 0.043 0.000 0.875 281 D CB 0.875 41.686 40.800 0.017 0.000 0.996 281 D HN 0.394 nan 8.370 nan 0.000 0.497 282 I N 1.219 121.831 120.570 0.071 0.000 2.619 282 I HA 0.256 4.426 4.170 0.001 0.000 0.292 282 I C -0.967 175.190 176.117 0.068 0.000 1.100 282 I CA -0.618 60.752 61.300 0.116 0.000 1.043 282 I CB 2.974 41.011 38.000 0.062 0.000 1.239 282 I HN -0.301 nan 8.210 nan 0.000 0.420 283 L N 5.430 126.734 121.223 0.136 0.000 2.305 283 L HA 0.518 4.858 4.340 0.001 0.000 0.284 283 L C 0.122 177.001 176.870 0.016 0.000 1.013 283 L CA -0.579 54.296 54.840 0.058 0.000 0.819 283 L CB 1.632 43.689 42.059 -0.004 0.000 1.227 283 L HN 0.528 nan 8.230 nan 0.000 0.417 284 R N 4.474 124.957 120.500 -0.029 0.000 2.242 284 R HA 0.274 4.615 4.340 0.001 0.000 0.334 284 R C -0.558 175.733 176.300 -0.014 0.000 1.071 284 R CA -0.668 55.413 56.100 -0.031 0.000 0.922 284 R CB 0.519 30.739 30.300 -0.134 0.000 1.023 284 R HN 0.483 nan 8.270 nan 0.000 0.458 285 M N 3.887 123.429 119.600 -0.098 0.000 2.455 285 M HA 0.055 4.536 4.480 0.001 0.000 0.331 285 M C -0.482 175.857 176.300 0.065 0.000 1.481 285 M CA -0.233 54.913 55.300 -0.257 0.000 1.362 285 M CB -0.166 32.124 32.600 -0.517 0.000 1.564 285 M HN 0.471 nan 8.290 nan 0.000 0.458 286 D N 3.391 123.903 120.400 0.187 0.000 2.371 286 D HA 0.374 5.015 4.640 0.001 0.000 0.256 286 D C 0.438 176.950 176.300 0.355 0.000 1.193 286 D CA 0.615 54.772 54.000 0.262 0.000 0.881 286 D CB 0.633 41.605 40.800 0.286 0.000 1.143 286 D HN 0.830 nan 8.370 nan 0.000 0.473 287 A N 2.893 125.886 122.820 0.287 0.000 2.519 287 A HA -0.177 4.144 4.320 0.001 0.000 0.297 287 A C 1.537 179.332 177.584 0.352 0.000 1.472 287 A CA 0.807 53.104 52.037 0.432 0.000 0.739 287 A CB -2.235 17.123 19.000 0.597 0.000 1.096 287 A HN 1.022 nan 8.150 nan 0.000 0.414 288 V N -2.696 117.326 119.914 0.180 0.000 2.594 288 V HA -0.018 4.103 4.120 0.001 0.000 0.253 288 V C 2.458 178.497 176.094 -0.091 0.000 1.069 288 V CA 2.454 64.816 62.300 0.102 0.000 1.082 288 V CB -1.433 30.298 31.823 -0.154 0.000 0.680 288 V HN 1.955 nan 8.190 nan 0.000 0.469 289 A N 0.236 122.908 122.820 -0.247 0.000 2.019 289 A HA -0.005 4.315 4.320 0.001 0.000 0.219 289 A C 1.819 179.164 177.584 -0.399 0.000 1.164 289 A CA 1.912 53.747 52.037 -0.336 0.000 0.644 289 A CB -0.822 17.821 19.000 -0.596 0.000 0.805 289 A HN 0.652 nan 8.150 nan 0.000 0.449 290 F N -0.133 119.814 119.950 -0.005 0.000 2.727 290 F HA 0.190 4.717 4.527 0.001 0.000 0.302 290 F C 1.688 177.430 175.800 -0.097 0.000 1.097 290 F CA 0.074 58.040 58.000 -0.056 0.000 1.330 290 F CB -0.265 38.699 39.000 -0.059 0.000 1.084 290 F HN 0.288 nan 8.300 nan 0.000 0.578 291 I N -2.453 118.141 120.570 0.041 0.000 3.164 291 I HA -0.121 4.049 4.170 0.001 0.000 0.278 291 I C 0.157 176.395 176.117 0.202 0.000 1.320 291 I CA 0.824 62.133 61.300 0.015 0.000 1.422 291 I CB -0.129 37.683 38.000 -0.314 0.000 1.066 291 I HN 0.189 nan 8.210 nan 0.000 0.503 292 W N 2.856 124.109 121.300 -0.077 0.000 3.097 292 W HA 0.410 5.071 4.660 0.001 0.000 0.335 292 W C -1.272 175.162 176.519 -0.141 0.000 1.114 292 W CA -0.814 56.492 57.345 -0.066 0.000 1.231 292 W CB 2.013 31.446 29.460 -0.045 0.000 1.388 292 W HN -0.166 nan 8.180 nan 0.000 0.485 293 K N 3.683 123.666 120.400 -0.694 0.000 2.267 293 K HA 0.546 4.867 4.320 0.001 0.000 0.246 293 K C -0.981 175.480 176.600 -0.231 0.000 0.954 293 K CA -1.087 54.900 56.287 -0.500 0.000 0.824 293 K CB 2.364 34.252 32.500 -1.022 0.000 1.167 293 K HN 0.391 nan 8.250 nan 0.000 0.431 294 Q N 1.551 121.419 119.800 0.112 0.000 2.364 294 Q HA 0.259 4.599 4.340 0.001 0.000 0.251 294 Q C -1.415 174.805 176.000 0.366 0.000 0.927 294 Q CA -0.431 55.528 55.803 0.259 0.000 0.924 294 Q CB 1.358 30.259 28.738 0.272 0.000 1.419 294 Q HN 0.604 nan 8.270 nan 0.000 0.427 295 M N 3.494 123.353 119.600 0.432 0.000 2.240 295 M HA 0.344 4.825 4.480 0.001 0.000 0.346 295 M C 1.208 177.595 176.300 0.145 0.000 1.236 295 M CA 2.585 58.030 55.300 0.242 0.000 0.986 295 M CB -0.164 32.414 32.600 -0.037 0.000 1.786 295 M HN 1.068 nan 8.290 nan 0.000 0.457 296 G N 2.319 111.185 108.800 0.111 0.000 2.176 296 G HA2 -0.237 3.724 3.960 0.001 0.000 0.253 296 G HA3 -0.237 3.724 3.960 0.001 0.000 0.253 296 G C 0.220 175.176 174.900 0.093 0.000 0.979 296 G CA 0.674 45.817 45.100 0.072 0.000 0.641 296 G HN 1.245 nan 8.290 nan 0.000 0.530 297 T N -2.355 112.283 114.554 0.140 0.000 2.927 297 T HA 0.692 5.043 4.350 0.001 0.000 0.286 297 T C 1.590 176.367 174.700 0.130 0.000 1.040 297 T CA 0.829 63.002 62.100 0.120 0.000 1.010 297 T CB 1.510 70.459 68.868 0.134 0.000 1.177 297 T HN 1.045 nan 8.240 nan 0.000 0.546 298 S N -1.077 114.680 115.700 0.096 0.000 2.555 298 S HA 0.024 4.495 4.470 0.001 0.000 0.230 298 S C 1.250 175.915 174.600 0.108 0.000 0.978 298 S CA 0.197 58.450 58.200 0.088 0.000 0.934 298 S CB -1.487 61.743 63.200 0.050 0.000 0.766 298 S HN 1.110 nan 8.310 nan 0.000 0.533 299 C N 1.360 120.730 119.300 0.117 0.000 4.432 299 C HA -0.112 4.348 4.460 0.001 0.000 0.294 299 C C 0.114 175.116 174.990 0.019 0.000 1.398 299 C CA 0.523 59.599 59.018 0.097 0.000 1.988 299 C CB -2.773 25.059 27.740 0.153 0.000 1.251 299 C HN 0.750 nan 8.230 nan 0.000 0.791 300 E N -0.199 119.984 120.200 -0.029 0.000 2.314 300 E HA 0.398 4.748 4.350 0.001 0.000 0.272 300 E C 0.168 176.735 176.600 -0.056 0.000 0.884 300 E CA -0.817 55.475 56.400 -0.180 0.000 0.753 300 E CB 1.018 30.553 29.700 -0.275 0.000 1.213 300 E HN 0.302 nan 8.360 nan 0.000 0.432 301 N N 1.019 119.701 118.700 -0.030 0.000 2.714 301 N HA -0.209 4.532 4.740 0.001 0.000 0.250 301 N C -0.364 175.179 175.510 0.056 0.000 1.117 301 N CA 0.806 53.893 53.050 0.063 0.000 0.719 301 N CB -1.498 37.061 38.487 0.119 0.000 1.081 301 N HN 0.480 nan 8.380 nan 0.000 0.557 302 L N 0.204 121.459 121.223 0.053 0.000 2.452 302 L HA 0.095 4.436 4.340 0.001 0.000 0.267 302 L C -0.589 176.300 176.870 0.032 0.000 1.188 302 L CA -1.394 53.490 54.840 0.073 0.000 0.821 302 L CB 0.152 42.316 42.059 0.175 0.000 1.102 302 L HN -0.190 nan 8.230 nan 0.000 0.470 303 P HA -0.227 nan 4.420 nan 0.000 0.216 303 P C 1.114 178.309 177.300 -0.174 0.000 1.157 303 P CA 1.318 64.385 63.100 -0.054 0.000 0.880 303 P CB 0.194 31.826 31.700 -0.114 0.000 0.791 304 Q N -0.965 118.577 119.800 -0.431 0.000 2.170 304 Q HA -0.081 4.259 4.340 0.001 0.000 0.203 304 Q C 2.216 177.978 176.000 -0.397 0.000 0.976 304 Q CA 1.729 57.099 55.803 -0.722 0.000 0.858 304 Q CB -1.130 26.496 28.738 -1.853 0.000 0.907 304 Q HN 0.199 nan 8.270 nan 0.000 0.433 305 A N 0.374 123.087 122.820 -0.178 0.000 1.902 305 A HA -0.234 4.087 4.320 0.001 0.000 0.217 305 A C 1.739 179.299 177.584 -0.040 0.000 1.181 305 A CA 1.540 53.553 52.037 -0.039 0.000 0.623 305 A CB -0.682 18.305 19.000 -0.021 0.000 0.818 305 A HN 0.402 nan 8.150 nan 0.000 0.443 306 H N -0.474 118.593 119.070 -0.006 0.000 2.357 306 H HA -0.031 4.526 4.556 0.001 0.000 0.301 306 H C 2.616 177.934 175.328 -0.016 0.000 1.082 306 H CA 1.437 57.477 56.048 -0.014 0.000 1.342 306 H CB -0.520 29.155 29.762 -0.145 0.000 1.389 306 H HN 0.530 nan 8.280 nan 0.000 0.511 307 A N 1.352 124.176 122.820 0.007 0.000 1.883 307 A HA -0.139 4.182 4.320 0.001 0.000 0.217 307 A C 2.723 180.274 177.584 -0.056 0.000 1.186 307 A CA 1.224 53.211 52.037 -0.084 0.000 0.624 307 A CB -0.959 17.904 19.000 -0.228 0.000 0.822 307 A HN 0.273 nan 8.150 nan 0.000 0.444 308 L N -0.638 120.556 121.223 -0.048 0.000 2.083 308 L HA -0.182 4.159 4.340 0.001 0.000 0.209 308 L C 2.465 179.536 176.870 0.335 0.000 1.083 308 L CA 1.245 56.123 54.840 0.062 0.000 0.752 308 L CB -0.505 41.601 42.059 0.078 0.000 0.899 308 L HN 0.406 nan 8.230 nan 0.000 0.433 309 I N -0.701 120.095 120.570 0.377 0.000 2.252 309 I HA -0.244 3.926 4.170 0.001 0.000 0.245 309 I C 2.628 179.006 176.117 0.436 0.000 1.102 309 I CA 1.102 62.704 61.300 0.503 0.000 1.385 309 I CB -0.341 37.898 38.000 0.399 0.000 1.064 309 I HN 0.185 nan 8.210 nan 0.000 0.414 310 R N 0.829 121.484 120.500 0.258 0.000 2.148 310 R HA -0.079 4.261 4.340 0.001 0.000 0.227 310 R C 2.398 178.788 176.300 0.149 0.000 1.103 310 R CA 1.229 57.429 56.100 0.166 0.000 0.983 310 R CB -0.313 30.025 30.300 0.062 0.000 0.874 310 R HN 0.374 nan 8.270 nan 0.000 0.451 311 A N 0.606 123.513 122.820 0.146 0.000 1.872 311 A HA -0.098 4.223 4.320 0.001 0.000 0.214 311 A C 1.875 179.639 177.584 0.301 0.000 1.187 311 A CA 0.913 53.010 52.037 0.099 0.000 0.614 311 A CB -0.577 18.352 19.000 -0.118 0.000 0.826 311 A HN 0.200 nan 8.150 nan 0.000 0.442 312 F N 0.209 120.437 119.950 0.463 0.000 2.126 312 F HA -0.218 4.310 4.527 0.001 0.000 0.299 312 F C 2.277 178.314 175.800 0.395 0.000 1.096 312 F CA 1.631 59.872 58.000 0.402 0.000 1.255 312 F CB -0.402 38.765 39.000 0.278 0.000 0.997 312 F HN 0.392 nan 8.300 nan 0.000 0.479 313 N N 0.329 119.359 118.700 0.551 0.000 2.069 313 N HA -0.220 4.521 4.740 0.001 0.000 0.191 313 N C 1.893 177.367 175.510 -0.060 0.000 1.031 313 N CA 1.371 54.450 53.050 0.047 0.000 0.852 313 N CB -0.234 38.248 38.487 -0.007 0.000 1.018 313 N HN 0.188 nan 8.380 nan 0.000 0.423 314 A N 0.020 122.854 122.820 0.023 0.000 1.972 314 A HA -0.078 4.243 4.320 0.001 0.000 0.219 314 A C 2.318 179.907 177.584 0.009 0.000 1.169 314 A CA 1.353 53.375 52.037 -0.026 0.000 0.635 314 A CB -0.762 18.242 19.000 0.006 0.000 0.810 314 A HN 0.234 nan 8.150 nan 0.000 0.446 315 V N -0.127 119.860 119.914 0.122 0.000 2.407 315 V HA -0.285 3.836 4.120 0.001 0.000 0.248 315 V C 2.644 178.793 176.094 0.093 0.000 1.055 315 V CA 1.954 64.350 62.300 0.161 0.000 1.049 315 V CB -0.660 31.317 31.823 0.256 0.000 0.662 315 V HN 0.508 nan 8.190 nan 0.000 0.455 316 M N -0.649 118.972 119.600 0.035 0.000 2.156 316 M HA -0.037 4.444 4.480 0.001 0.000 0.264 316 M C 2.289 178.513 176.300 -0.127 0.000 1.067 316 M CA 1.449 56.727 55.300 -0.037 0.000 1.131 316 M CB -1.200 31.314 32.600 -0.144 0.000 1.368 316 M HN 0.257 nan 8.290 nan 0.000 0.416 317 R N 0.238 120.579 120.500 -0.265 0.000 2.159 317 R HA -0.032 4.309 4.340 0.001 0.000 0.237 317 R C 2.053 178.155 176.300 -0.330 0.000 1.131 317 R CA 1.194 56.998 56.100 -0.492 0.000 0.982 317 R CB -0.845 28.813 30.300 -1.071 0.000 0.868 317 R HN 0.448 nan 8.270 nan 0.000 0.453 318 I N -0.509 119.960 120.570 -0.167 0.000 2.556 318 I HA -0.042 4.128 4.170 0.001 0.000 0.251 318 I C 2.000 178.080 176.117 -0.061 0.000 1.105 318 I CA 0.975 62.200 61.300 -0.125 0.000 1.436 318 I CB -0.130 37.828 38.000 -0.070 0.000 1.139 318 I HN 0.007 nan 8.210 nan 0.000 0.438 319 A N 0.164 123.034 122.820 0.084 0.000 2.303 319 A HA 0.685 5.005 4.320 0.001 0.000 0.217 319 A C 0.927 178.649 177.584 0.230 0.000 1.205 319 A CA 0.591 52.756 52.037 0.214 0.000 0.875 319 A CB 0.178 19.363 19.000 0.308 0.000 0.910 319 A HN 0.326 nan 8.150 nan 0.000 0.501 320 A N -0.470 122.420 122.820 0.117 0.000 2.642 320 A HA 0.537 4.858 4.320 0.001 0.000 0.261 320 A C -2.259 175.354 177.584 0.048 0.000 1.335 320 A CA -0.373 51.740 52.037 0.127 0.000 1.073 320 A CB -0.142 18.928 19.000 0.116 0.000 1.369 320 A HN 0.007 nan 8.150 nan 0.000 0.706 321 P HA -0.197 nan 4.420 nan 0.000 0.218 321 P C 1.690 179.042 177.300 0.087 0.000 1.146 321 P CA 2.060 65.159 63.100 -0.002 0.000 0.813 321 P CB 0.321 32.015 31.700 -0.010 0.000 0.778 322 A N -1.120 121.733 122.820 0.056 0.000 2.119 322 A HA -0.008 4.313 4.320 0.001 0.000 0.217 322 A C 0.994 178.643 177.584 0.108 0.000 1.153 322 A CA 0.593 52.637 52.037 0.012 0.000 0.692 322 A CB -0.882 18.062 19.000 -0.093 0.000 0.799 322 A HN 0.040 nan 8.150 nan 0.000 0.458 323 V N 1.644 121.644 119.914 0.143 0.000 2.427 323 V HA 0.273 4.394 4.120 0.001 0.000 0.268 323 V C -0.364 175.893 176.094 0.272 0.000 1.046 323 V CA -0.082 62.323 62.300 0.176 0.000 0.970 323 V CB -0.185 31.695 31.823 0.094 0.000 1.001 323 V HN 0.295 nan 8.190 nan 0.000 0.476 324 F N 4.407 124.365 119.950 0.012 0.000 2.450 324 F HA 0.702 5.229 4.527 0.001 0.000 0.328 324 F C -0.020 175.842 175.800 0.104 0.000 1.068 324 F CA -1.391 56.582 58.000 -0.044 0.000 1.007 324 F CB 1.420 40.491 39.000 0.118 0.000 1.251 324 F HN 0.241 nan 8.300 nan 0.000 0.492 325 F N 0.771 120.774 119.950 0.089 0.000 2.480 325 F HA 0.435 4.963 4.527 0.001 0.000 0.329 325 F C -0.023 175.796 175.800 0.031 0.000 1.091 325 F CA -1.723 56.284 58.000 0.011 0.000 0.972 325 F CB 1.581 40.551 39.000 -0.051 0.000 1.150 325 F HN 0.192 nan 8.300 nan 0.000 0.467 326 K N 1.789 122.316 120.400 0.211 0.000 2.449 326 K HA 0.403 4.723 4.320 0.001 0.000 0.257 326 K C -0.328 176.352 176.600 0.133 0.000 0.989 326 K CA -0.248 56.114 56.287 0.125 0.000 0.916 326 K CB 1.187 33.719 32.500 0.054 0.000 1.136 326 K HN 0.627 nan 8.250 nan 0.000 0.439 327 S N 2.984 118.775 115.700 0.152 0.000 2.549 327 S HA -0.001 4.470 4.470 0.001 0.000 0.283 327 S C -0.543 174.199 174.600 0.236 0.000 1.320 327 S CA -0.240 58.046 58.200 0.144 0.000 1.058 327 S CB 0.679 63.980 63.200 0.168 0.000 0.882 327 S HN 0.703 nan 8.310 nan 0.000 0.498 328 Q N 3.414 123.293 119.800 0.132 0.000 2.674 328 Q HA 0.500 4.840 4.340 0.001 0.000 0.249 328 Q C -1.520 174.480 176.000 -0.000 0.000 1.011 328 Q CA -0.506 55.358 55.803 0.102 0.000 0.734 328 Q CB 0.995 29.744 28.738 0.018 0.000 1.201 328 Q HN 0.755 nan 8.270 nan 0.000 0.498 329 A N 5.672 128.503 122.820 0.019 0.000 2.323 329 A HA 0.522 4.842 4.320 0.001 0.000 0.305 329 A C -0.465 177.167 177.584 0.079 0.000 1.275 329 A CA -0.547 51.469 52.037 -0.034 0.000 0.804 329 A CB 0.493 19.420 19.000 -0.123 0.000 1.152 329 A HN 0.580 nan 8.150 nan 0.000 0.487 330 I N 4.979 125.587 120.570 0.065 0.000 2.318 330 I HA 0.292 4.463 4.170 0.001 0.000 0.285 330 I C 0.264 176.425 176.117 0.074 0.000 1.127 330 I CA 0.008 61.349 61.300 0.069 0.000 1.243 330 I CB -0.633 37.388 38.000 0.035 0.000 1.498 330 I HN 0.468 nan 8.210 nan 0.000 0.535 331 V N 0.544 120.518 119.914 0.099 0.000 3.087 331 V HA 0.531 4.651 4.120 0.001 0.000 0.311 331 V C 0.379 176.558 176.094 0.143 0.000 1.333 331 V CA -1.030 61.335 62.300 0.109 0.000 1.054 331 V CB 1.810 33.702 31.823 0.115 0.000 1.123 331 V HN 0.480 nan 8.190 nan 0.000 0.473 332 H N 1.424 120.537 119.070 0.072 0.000 3.038 332 H HA 0.145 4.702 4.556 0.001 0.000 0.338 332 H C -1.989 173.408 175.328 0.115 0.000 1.041 332 H CA -0.127 55.967 56.048 0.076 0.000 1.394 332 H CB 1.772 31.573 29.762 0.064 0.000 1.357 332 H HN 0.402 nan 8.280 nan 0.000 0.600 333 P HA -0.155 nan 4.420 nan 0.000 0.217 333 P C 0.960 178.454 177.300 0.323 0.000 1.148 333 P CA 1.404 64.618 63.100 0.189 0.000 0.828 333 P CB 0.340 32.084 31.700 0.074 0.000 0.783 334 D N -1.409 119.292 120.400 0.502 0.000 2.178 334 D HA -0.135 4.505 4.640 0.001 0.000 0.201 334 D C 1.980 178.386 176.300 0.177 0.000 0.980 334 D CA 1.038 55.196 54.000 0.262 0.000 0.842 334 D CB -0.260 40.608 40.800 0.114 0.000 0.948 334 D HN 0.214 nan 8.370 nan 0.000 0.472 335 Q N 0.018 119.954 119.800 0.228 0.000 2.204 335 Q HA 0.036 4.376 4.340 0.001 0.000 0.198 335 Q C 2.534 178.724 176.000 0.317 0.000 0.946 335 Q CA 0.157 56.084 55.803 0.207 0.000 0.859 335 Q CB -0.413 28.459 28.738 0.223 0.000 0.946 335 Q HN 0.184 nan 8.270 nan 0.000 0.474 336 V N 0.808 120.938 119.914 0.360 0.000 2.282 336 V HA -0.201 3.920 4.120 0.001 0.000 0.249 336 V C 2.326 178.678 176.094 0.430 0.000 1.057 336 V CA 1.832 64.397 62.300 0.442 0.000 1.032 336 V CB -0.713 31.353 31.823 0.405 0.000 0.645 336 V HN 0.182 nan 8.190 nan 0.000 0.447 337 V N -0.635 119.472 119.914 0.323 0.000 2.913 337 V HA -0.248 3.873 4.120 0.001 0.000 0.260 337 V C 2.296 178.412 176.094 0.037 0.000 1.098 337 V CA 1.888 64.282 62.300 0.156 0.000 1.121 337 V CB -0.302 31.611 31.823 0.150 0.000 0.714 337 V HN 0.660 nan 8.190 nan 0.000 0.487 338 Q N -1.299 118.511 119.800 0.017 0.000 2.291 338 Q HA -0.148 4.193 4.340 0.001 0.000 0.205 338 Q C 1.763 177.657 176.000 -0.178 0.000 0.970 338 Q CA 1.700 57.391 55.803 -0.187 0.000 0.876 338 Q CB -0.103 28.415 28.738 -0.366 0.000 0.935 338 Q HN 0.817 nan 8.270 nan 0.000 0.455 339 Y N -0.041 120.371 120.300 0.187 0.000 2.519 339 Y HA 0.058 4.608 4.550 0.001 0.000 0.287 339 Y C 0.676 176.626 175.900 0.083 0.000 1.128 339 Y CA 0.161 58.388 58.100 0.211 0.000 1.282 339 Y CB 0.396 38.972 38.460 0.192 0.000 1.027 339 Y HN -0.001 nan 8.280 nan 0.000 0.551 340 I N 0.966 121.596 120.570 0.100 0.000 2.322 340 I HA 0.429 4.600 4.170 0.001 0.000 0.292 340 I C 0.593 176.658 176.117 -0.086 0.000 1.060 340 I CA 0.018 61.293 61.300 -0.042 0.000 1.309 340 I CB 0.249 38.109 38.000 -0.232 0.000 1.415 340 I HN 0.111 nan 8.210 nan 0.000 0.492 341 G N 3.996 112.758 108.800 -0.063 0.000 2.703 341 G HA2 0.167 4.128 3.960 0.001 0.000 0.294 341 G HA3 0.167 4.128 3.960 0.001 0.000 0.294 341 G C -0.223 174.627 174.900 -0.084 0.000 1.451 341 G CA -0.488 44.566 45.100 -0.077 0.000 0.869 341 G HN 0.558 nan 8.290 nan 0.000 0.516 342 Q N -0.366 119.387 119.800 -0.078 0.000 2.181 342 Q HA -0.134 4.207 4.340 0.001 0.000 0.205 342 Q C 0.859 176.766 176.000 -0.155 0.000 0.980 342 Q CA 2.116 57.856 55.803 -0.105 0.000 0.862 342 Q CB 0.112 28.838 28.738 -0.020 0.000 0.905 342 Q HN 0.492 nan 8.270 nan 0.000 0.429 343 D N -0.568 119.775 120.400 -0.096 0.000 2.339 343 D HA 0.056 4.697 4.640 0.001 0.000 0.217 343 D C 0.486 176.763 176.300 -0.038 0.000 1.050 343 D CA 0.238 54.187 54.000 -0.085 0.000 0.856 343 D CB 0.530 41.300 40.800 -0.049 0.000 0.922 343 D HN 0.416 nan 8.370 nan 0.000 0.518 344 E N -1.025 119.168 120.200 -0.011 0.000 3.419 344 E HA 0.207 4.558 4.350 0.001 0.000 0.273 344 E C -0.514 176.178 176.600 0.152 0.000 0.962 344 E CA -0.300 56.169 56.400 0.115 0.000 1.015 344 E CB 0.966 30.749 29.700 0.138 0.000 2.979 344 E HN -0.081 nan 8.360 nan 0.000 0.568 345 C N 2.380 121.772 119.300 0.155 0.000 2.271 345 C HA 0.292 4.752 4.460 0.001 0.000 0.323 345 C C 0.849 175.848 174.990 0.014 0.000 1.245 345 C CA -0.553 58.561 59.018 0.161 0.000 1.548 345 C CB 0.445 28.316 27.740 0.218 0.000 2.214 345 C HN 0.589 nan 8.230 nan 0.000 0.477 346 Q N 2.057 121.808 119.800 -0.081 0.000 2.234 346 Q HA -0.016 4.325 4.340 0.001 0.000 0.206 346 Q C 0.669 176.634 176.000 -0.058 0.000 0.980 346 Q CA 1.210 56.942 55.803 -0.119 0.000 0.869 346 Q CB -0.039 28.564 28.738 -0.225 0.000 0.912 346 Q HN 0.917 nan 8.270 nan 0.000 0.436 347 I N -5.390 115.176 120.570 -0.007 0.000 3.074 347 I HA 0.873 5.043 4.170 0.001 0.000 0.310 347 I C -0.455 175.669 176.117 0.011 0.000 1.153 347 I CA -1.355 59.921 61.300 -0.040 0.000 0.993 347 I CB 2.371 40.347 38.000 -0.039 0.000 1.237 347 I HN -0.088 nan 8.210 nan 0.000 0.443 348 G N 1.516 110.330 108.800 0.024 0.000 2.703 348 G HA2 0.483 4.444 3.960 0.001 0.000 0.294 348 G HA3 0.483 4.444 3.960 0.001 0.000 0.294 348 G C -1.890 173.175 174.900 0.276 0.000 1.451 348 G CA -0.684 44.507 45.100 0.151 0.000 0.869 348 G HN 0.587 nan 8.290 nan 0.000 0.516 349 Y N 0.640 121.069 120.300 0.216 0.000 2.683 349 Y HA 0.163 4.714 4.550 0.001 0.000 0.340 349 Y C 1.158 177.315 175.900 0.428 0.000 1.245 349 Y CA 0.585 58.819 58.100 0.222 0.000 1.485 349 Y CB 0.837 39.317 38.460 0.034 0.000 1.328 349 Y HN 0.476 nan 8.280 nan 0.000 0.603 350 N N 4.605 123.607 118.700 0.504 0.000 3.112 350 N HA 0.206 4.947 4.740 0.001 0.000 0.270 350 N C -2.139 173.400 175.510 0.048 0.000 1.385 350 N CA -2.447 50.568 53.050 -0.058 0.000 0.986 350 N CB 0.498 38.689 38.487 -0.494 0.000 1.261 350 N HN 0.264 nan 8.380 nan 0.000 0.495 351 P HA -0.164 nan 4.420 nan 0.000 0.218 351 P C 1.548 178.814 177.300 -0.057 0.000 1.149 351 P CA 0.429 63.582 63.100 0.088 0.000 0.817 351 P CB 0.637 32.424 31.700 0.145 0.000 0.785 352 L N 0.450 121.620 121.223 -0.089 0.000 2.017 352 L HA -0.148 4.193 4.340 0.001 0.000 0.208 352 L C 2.791 179.599 176.870 -0.104 0.000 1.073 352 L CA 1.942 56.741 54.840 -0.068 0.000 0.745 352 L CB -1.643 40.364 42.059 -0.087 0.000 0.894 352 L HN -0.081 nan 8.230 nan 0.000 0.432 353 Q N -1.360 118.308 119.800 -0.220 0.000 2.084 353 Q HA -0.240 4.100 4.340 0.001 0.000 0.202 353 Q C 2.261 178.145 176.000 -0.194 0.000 0.978 353 Q CA 1.949 57.627 55.803 -0.207 0.000 0.844 353 Q CB -0.205 28.375 28.738 -0.263 0.000 0.898 353 Q HN 0.552 nan 8.270 nan 0.000 0.426 354 M N 0.332 119.764 119.600 -0.280 0.000 2.067 354 M HA -0.152 4.329 4.480 0.001 0.000 0.260 354 M C 2.025 178.274 176.300 -0.086 0.000 1.069 354 M CA 2.147 57.233 55.300 -0.356 0.000 1.117 354 M CB -0.869 31.226 32.600 -0.842 0.000 1.334 354 M HN 0.278 nan 8.290 nan 0.000 0.407 355 A N 0.496 123.304 122.820 -0.021 0.000 1.933 355 A HA -0.135 4.186 4.320 0.001 0.000 0.218 355 A C 2.178 179.975 177.584 0.355 0.000 1.175 355 A CA 1.421 53.571 52.037 0.188 0.000 0.628 355 A CB -0.918 18.186 19.000 0.173 0.000 0.814 355 A HN 0.623 nan 8.150 nan 0.000 0.444 356 L N -0.707 120.615 121.223 0.166 0.000 2.313 356 L HA -0.036 4.305 4.340 0.001 0.000 0.214 356 L C 2.311 179.188 176.870 0.012 0.000 1.119 356 L CA 0.275 55.178 54.840 0.105 0.000 0.809 356 L CB -0.346 41.719 42.059 0.011 0.000 0.933 356 L HN 0.384 nan 8.230 nan 0.000 0.449 357 L N -1.576 119.615 121.223 -0.053 0.000 2.056 357 L HA -0.194 4.146 4.340 0.001 0.000 0.207 357 L C 2.312 179.131 176.870 -0.085 0.000 1.078 357 L CA 1.707 56.456 54.840 -0.151 0.000 0.749 357 L CB -0.443 41.422 42.059 -0.323 0.000 0.901 357 L HN 0.347 nan 8.230 nan 0.000 0.433 358 W N 0.105 121.495 121.300 0.150 0.000 2.418 358 W HA -0.152 4.509 4.660 0.001 0.000 0.292 358 W C 2.525 179.263 176.519 0.365 0.000 1.213 358 W CA 1.031 58.523 57.345 0.246 0.000 1.283 358 W CB -0.437 29.033 29.460 0.017 0.000 1.119 358 W HN 0.234 nan 8.180 nan 0.000 0.542 359 N N -0.126 118.841 118.700 0.445 0.000 2.069 359 N HA -0.181 4.560 4.740 0.001 0.000 0.191 359 N C 1.499 177.089 175.510 0.134 0.000 1.031 359 N CA 2.648 55.831 53.050 0.221 0.000 0.852 359 N CB -0.541 38.035 38.487 0.148 0.000 1.018 359 N HN -0.104 nan 8.380 nan 0.000 0.423 360 T N 0.684 115.263 114.554 0.042 0.000 2.788 360 T HA -0.055 4.295 4.350 0.001 0.000 0.268 360 T C 1.852 176.656 174.700 0.173 0.000 1.044 360 T CA 0.866 62.907 62.100 -0.098 0.000 1.139 360 T CB -0.287 68.190 68.868 -0.652 0.000 0.867 360 T HN 0.187 nan 8.240 nan 0.000 0.454 361 L N 0.472 121.931 121.223 0.393 0.000 2.083 361 L HA -0.106 4.234 4.340 0.001 0.000 0.209 361 L C 2.964 180.102 176.870 0.446 0.000 1.083 361 L CA 1.234 56.427 54.840 0.589 0.000 0.752 361 L CB -0.584 41.874 42.059 0.665 0.000 0.899 361 L HN 0.291 nan 8.230 nan 0.000 0.433 362 A N -0.208 122.663 122.820 0.085 0.000 1.874 362 A HA -0.170 4.151 4.320 0.001 0.000 0.214 362 A C 2.354 179.752 177.584 -0.310 0.000 1.189 362 A CA 1.915 53.510 52.037 -0.736 0.000 0.615 362 A CB -0.769 17.417 19.000 -1.358 0.000 0.830 362 A HN 0.479 nan 8.150 nan 0.000 0.443 363 T N -5.232 109.284 114.554 -0.063 0.000 3.043 363 T HA 0.117 4.468 4.350 0.001 0.000 0.263 363 T C 1.053 175.801 174.700 0.081 0.000 1.094 363 T CA 0.958 63.052 62.100 -0.010 0.000 1.127 363 T CB -0.034 68.836 68.868 0.003 0.000 0.905 363 T HN 0.386 nan 8.240 nan 0.000 0.490 364 R N 0.665 121.262 120.500 0.161 0.000 3.922 364 R HA -0.116 4.224 4.340 0.001 0.000 0.447 364 R C -0.678 175.783 176.300 0.269 0.000 1.035 364 R CA 1.430 57.697 56.100 0.279 0.000 1.289 364 R CB -2.147 28.325 30.300 0.287 0.000 1.906 364 R HN 0.699 nan 8.270 nan 0.000 0.540 365 E N 0.065 120.310 120.200 0.076 0.000 2.158 365 E HA 0.298 4.648 4.350 0.001 0.000 0.271 365 E C 0.798 177.334 176.600 -0.107 0.000 0.911 365 E CA 0.127 56.496 56.400 -0.051 0.000 0.767 365 E CB 1.775 31.415 29.700 -0.100 0.000 1.120 365 E HN 0.094 nan 8.360 nan 0.000 0.405 366 V N 0.584 120.428 119.914 -0.118 0.000 3.630 366 V HA -0.142 3.978 4.120 0.001 0.000 0.273 366 V C 1.276 177.320 176.094 -0.082 0.000 1.248 366 V CA 0.736 62.947 62.300 -0.149 0.000 1.170 366 V CB -1.172 30.609 31.823 -0.070 0.000 0.899 366 V HN 0.559 nan 8.190 nan 0.000 0.457 367 N N 2.489 121.133 118.700 -0.093 0.000 2.036 367 N HA -0.284 4.456 4.740 0.001 0.000 0.199 367 N C 1.528 177.022 175.510 -0.026 0.000 1.036 367 N CA 2.628 55.641 53.050 -0.061 0.000 0.870 367 N CB -1.079 37.352 38.487 -0.093 0.000 1.055 367 N HN 0.528 nan 8.380 nan 0.000 0.436 368 L N -1.153 120.012 121.223 -0.097 0.000 2.093 368 L HA -0.030 4.311 4.340 0.001 0.000 0.208 368 L C 2.435 179.269 176.870 -0.059 0.000 1.085 368 L CA 0.674 55.452 54.840 -0.104 0.000 0.755 368 L CB -0.462 41.465 42.059 -0.220 0.000 0.904 368 L HN 0.188 nan 8.230 nan 0.000 0.435 369 L N -0.778 120.396 121.223 -0.082 0.000 2.027 369 L HA -0.258 4.082 4.340 0.001 0.000 0.206 369 L C 2.698 179.541 176.870 -0.046 0.000 1.074 369 L CA 1.830 56.617 54.840 -0.089 0.000 0.745 369 L CB -0.871 41.087 42.059 -0.167 0.000 0.898 369 L HN 0.285 nan 8.230 nan 0.000 0.433 370 H N -0.466 118.555 119.070 -0.081 0.000 2.352 370 H HA -0.230 4.327 4.556 0.001 0.000 0.299 370 H C 2.106 177.385 175.328 -0.081 0.000 1.097 370 H CA 2.213 58.226 56.048 -0.058 0.000 1.311 370 H CB 0.052 29.794 29.762 -0.033 0.000 1.377 370 H HN 0.602 nan 8.280 nan 0.000 0.504 371 Q N 0.234 120.067 119.800 0.054 0.000 2.061 371 Q HA -0.131 4.209 4.340 0.001 0.000 0.204 371 Q C 2.412 178.411 176.000 -0.002 0.000 0.984 371 Q CA 1.636 57.481 55.803 0.070 0.000 0.846 371 Q CB -0.143 28.691 28.738 0.159 0.000 0.902 371 Q HN 0.526 nan 8.270 nan 0.000 0.421 372 A N 0.734 123.544 122.820 -0.017 0.000 1.898 372 A HA -0.127 4.194 4.320 0.001 0.000 0.216 372 A C 2.047 179.588 177.584 -0.072 0.000 1.181 372 A CA 1.141 53.170 52.037 -0.014 0.000 0.620 372 A CB -0.642 18.339 19.000 -0.033 0.000 0.819 372 A HN 0.456 nan 8.150 nan 0.000 0.442 373 L N -0.708 120.413 121.223 -0.170 0.000 2.201 373 L HA -0.119 4.222 4.340 0.001 0.000 0.212 373 L C 2.580 179.287 176.870 -0.271 0.000 1.105 373 L CA 1.562 56.264 54.840 -0.229 0.000 0.775 373 L CB -0.733 41.136 42.059 -0.318 0.000 0.913 373 L HN 0.350 nan 8.230 nan 0.000 0.440 374 T N -1.611 112.677 114.554 -0.442 0.000 2.851 374 T HA -0.095 4.256 4.350 0.001 0.000 0.262 374 T C 1.315 175.665 174.700 -0.582 0.000 1.043 374 T CA 1.221 62.932 62.100 -0.649 0.000 1.140 374 T CB -0.095 68.118 68.868 -1.092 0.000 0.872 374 T HN 0.229 nan 8.240 nan 0.000 0.446 375 Y N 0.369 120.644 120.300 -0.041 0.000 2.462 375 Y HA 0.411 4.961 4.550 0.001 0.000 0.253 375 Y C 1.817 177.743 175.900 0.044 0.000 1.095 375 Y CA -0.345 57.752 58.100 -0.006 0.000 1.283 375 Y CB 0.334 38.777 38.460 -0.029 0.000 1.138 375 Y HN -0.030 nan 8.280 nan 0.000 0.522 376 R N -1.426 119.183 120.500 0.181 0.000 2.600 376 R HA 0.148 4.489 4.340 0.001 0.000 0.392 376 R C 0.508 176.978 176.300 0.284 0.000 1.032 376 R CA 0.091 56.319 56.100 0.213 0.000 1.139 376 R CB 0.097 30.504 30.300 0.178 0.000 1.400 376 R HN 0.280 nan 8.270 nan 0.000 0.566 377 H N 0.331 119.494 119.070 0.156 0.000 2.379 377 H HA 0.214 4.770 4.556 0.001 0.000 0.308 377 H C 0.281 175.817 175.328 0.345 0.000 1.047 377 H CA 0.471 56.669 56.048 0.251 0.000 1.371 377 H CB 0.490 30.270 29.762 0.029 0.000 1.449 377 H HN -0.069 nan 8.280 nan 0.000 0.564 378 N N 1.625 120.456 118.700 0.218 0.000 2.454 378 N HA 0.072 4.813 4.740 0.001 0.000 0.260 378 N C -0.758 174.742 175.510 -0.017 0.000 1.218 378 N CA 0.459 53.562 53.050 0.088 0.000 0.904 378 N CB 0.742 39.277 38.487 0.081 0.000 1.065 378 N HN 0.304 nan 8.380 nan 0.000 0.462 379 L N 2.537 123.681 121.223 -0.131 0.000 2.279 379 L HA 0.574 4.915 4.340 0.001 0.000 0.262 379 L C -1.982 174.783 176.870 -0.175 0.000 1.019 379 L CA -2.028 52.677 54.840 -0.226 0.000 0.823 379 L CB 1.522 43.313 42.059 -0.447 0.000 1.358 379 L HN 0.286 nan 8.230 nan 0.000 0.432 380 P HA 0.077 nan 4.420 nan 0.000 0.270 380 P C -0.858 176.329 177.300 -0.187 0.000 1.223 380 P CA -0.396 62.611 63.100 -0.154 0.000 0.785 380 P CB 0.379 31.997 31.700 -0.137 0.000 0.923 381 E N 1.036 121.098 120.200 -0.231 0.000 2.459 381 E HA -0.100 4.250 4.350 0.001 0.000 0.264 381 E C 0.073 176.452 176.600 -0.369 0.000 1.055 381 E CA 0.331 56.485 56.400 -0.411 0.000 0.957 381 E CB -0.123 29.192 29.700 -0.641 0.000 0.952 381 E HN 0.543 nan 8.360 nan 0.000 0.448 382 H N -1.240 117.798 119.070 -0.053 0.000 2.862 382 H HA -0.162 4.394 4.556 0.001 0.000 0.290 382 H C -0.099 175.182 175.328 -0.077 0.000 1.211 382 H CA 1.273 57.297 56.048 -0.040 0.000 1.140 382 H CB -2.540 27.210 29.762 -0.020 0.000 1.341 382 H HN 0.617 nan 8.280 nan 0.000 0.392 383 T N -2.985 111.532 114.554 -0.061 0.000 2.883 383 T HA 0.932 5.283 4.350 0.001 0.000 0.296 383 T C -0.315 174.272 174.700 -0.188 0.000 1.117 383 T CA -0.305 61.716 62.100 -0.132 0.000 1.006 383 T CB 3.374 72.124 68.868 -0.196 0.000 1.191 383 T HN 0.851 nan 8.240 nan 0.000 0.508 384 A N 0.110 122.793 122.820 -0.228 0.000 2.612 384 A HA 0.676 4.996 4.320 0.001 0.000 0.293 384 A C -1.925 175.530 177.584 -0.215 0.000 1.075 384 A CA -1.251 50.652 52.037 -0.223 0.000 0.680 384 A CB 0.773 19.690 19.000 -0.138 0.000 1.279 384 A HN 0.851 nan 8.150 nan 0.000 0.411 385 W N 0.203 121.430 121.300 -0.122 0.000 2.283 385 W HA 0.540 5.201 4.660 0.001 0.000 0.341 385 W C -0.191 176.261 176.519 -0.112 0.000 1.206 385 W CA -0.525 56.761 57.345 -0.098 0.000 1.294 385 W CB 1.610 31.006 29.460 -0.106 0.000 1.154 385 W HN 0.418 nan 8.180 nan 0.000 0.613 386 V N 4.089 124.123 119.914 0.199 0.000 2.313 386 V HA 0.191 4.311 4.120 0.001 0.000 0.278 386 V C -0.347 175.817 176.094 0.117 0.000 1.017 386 V CA -1.023 61.245 62.300 -0.053 0.000 0.823 386 V CB 0.230 31.802 31.823 -0.417 0.000 1.010 386 V HN 0.420 nan 8.190 nan 0.000 0.443 387 N N 4.960 123.745 118.700 0.142 0.000 2.455 387 N HA 0.561 5.301 4.740 0.001 0.000 0.280 387 N C -0.831 174.862 175.510 0.305 0.000 1.055 387 N CA -0.189 52.983 53.050 0.203 0.000 0.961 387 N CB 1.904 40.451 38.487 0.100 0.000 1.121 387 N HN 0.700 nan 8.380 nan 0.000 0.476 388 Y N -2.190 118.124 120.300 0.023 0.000 2.655 388 Y HA 0.539 5.090 4.550 0.001 0.000 0.336 388 Y C 0.017 175.887 175.900 -0.050 0.000 1.154 388 Y CA -1.125 57.002 58.100 0.045 0.000 1.055 388 Y CB 0.217 38.779 38.460 0.169 0.000 1.295 388 Y HN 0.053 nan 8.280 nan 0.000 0.465 389 V N 0.138 119.988 119.914 -0.108 0.000 2.908 389 V HA 0.400 4.520 4.120 0.001 0.000 0.240 389 V C 0.447 176.594 176.094 0.089 0.000 1.117 389 V CA 0.595 62.742 62.300 -0.256 0.000 1.133 389 V CB -0.080 31.298 31.823 -0.741 0.000 0.857 389 V HN 0.729 nan 8.190 nan 0.000 0.478 390 R N -0.273 120.341 120.500 0.190 0.000 2.795 390 R HA 0.725 5.066 4.340 0.001 0.000 0.268 390 R C -0.762 175.611 176.300 0.121 0.000 1.041 390 R CA 0.256 56.400 56.100 0.074 0.000 0.927 390 R CB 2.032 32.299 30.300 -0.056 0.000 1.235 390 R HN 0.425 nan 8.270 nan 0.000 0.463 391 S N -1.233 114.313 115.700 -0.256 0.000 2.790 391 S HA 0.243 4.714 4.470 0.001 0.000 0.292 391 S C 0.695 175.007 174.600 -0.481 0.000 1.197 391 S CA -0.606 57.500 58.200 -0.158 0.000 0.851 391 S CB 0.780 64.023 63.200 0.071 0.000 1.217 391 S HN 0.796 nan 8.310 nan 0.000 0.526 392 H N -0.032 119.031 119.070 -0.010 0.000 2.546 392 H HA 0.253 4.810 4.556 0.001 0.000 0.277 392 H C -0.492 174.891 175.328 0.091 0.000 1.004 392 H CA 0.621 56.784 56.048 0.192 0.000 1.231 392 H CB -0.525 29.419 29.762 0.303 0.000 1.382 392 H HN 0.435 nan 8.280 nan 0.000 0.580 393 D N 1.955 121.965 120.400 -0.650 0.000 2.437 393 D HA 0.068 4.709 4.640 0.001 0.000 0.259 393 D C 0.372 176.390 176.300 -0.470 0.000 1.118 393 D CA -0.451 53.225 54.000 -0.538 0.000 1.017 393 D CB 1.241 41.677 40.800 -0.607 0.000 1.120 393 D HN 0.360 nan 8.370 nan 0.000 0.541 394 D N -0.284 119.877 120.400 -0.399 0.000 2.371 394 D HA 0.121 4.761 4.640 0.001 0.000 0.242 394 D C 0.156 176.207 176.300 -0.415 0.000 1.218 394 D CA -0.185 53.586 54.000 -0.381 0.000 0.945 394 D CB 0.968 41.652 40.800 -0.194 0.000 1.137 394 D HN 0.248 nan 8.370 nan 0.000 0.464 395 I N 0.137 120.398 120.570 -0.516 0.000 2.315 395 I HA 0.331 4.502 4.170 0.001 0.000 0.291 395 I C 0.820 176.462 176.117 -0.793 0.000 1.006 395 I CA -0.565 60.322 61.300 -0.689 0.000 1.265 395 I CB 1.524 38.929 38.000 -0.991 0.000 1.387 395 I HN 0.379 nan 8.210 nan 0.000 0.475 396 G N 4.937 113.368 108.800 -0.615 0.000 2.371 396 G HA2 0.355 4.316 3.960 0.001 0.000 0.326 396 G HA3 0.355 4.316 3.960 0.001 0.000 0.326 396 G C -1.093 173.463 174.900 -0.574 0.000 1.127 396 G CA -0.507 44.277 45.100 -0.526 0.000 0.885 396 G HN 0.687 nan 8.290 nan 0.000 0.477 397 W N 2.203 123.475 121.300 -0.048 0.000 1.518 397 W HA 0.269 4.930 4.660 0.001 0.000 0.426 397 W C 1.341 177.720 176.519 -0.233 0.000 0.675 397 W CA -0.703 56.614 57.345 -0.047 0.000 1.936 397 W CB 0.230 29.691 29.460 0.002 0.000 1.749 397 W HN 0.577 nan 8.180 nan 0.000 0.247 398 T N -1.605 112.944 114.554 -0.008 0.000 3.500 398 T HA 0.063 4.413 4.350 0.001 0.000 0.244 398 T C 0.173 174.824 174.700 -0.081 0.000 0.962 398 T CA -0.581 61.465 62.100 -0.090 0.000 0.932 398 T CB -1.384 67.463 68.868 -0.035 0.000 1.096 398 T HN 0.150 nan 8.240 nan 0.000 0.617 399 F N 0.263 120.253 119.950 0.066 0.000 2.378 399 F HA 0.757 5.284 4.527 0.001 0.000 0.319 399 F C 0.360 176.107 175.800 -0.088 0.000 1.155 399 F CA -2.348 55.654 58.000 0.003 0.000 1.157 399 F CB 0.104 39.139 39.000 0.058 0.000 1.252 399 F HN 0.143 nan 8.300 nan 0.000 0.550 400 A N 1.644 124.548 122.820 0.140 0.000 2.362 400 A HA 0.262 4.583 4.320 0.001 0.000 0.276 400 A C 0.760 178.497 177.584 0.256 0.000 1.153 400 A CA -0.516 51.490 52.037 -0.051 0.000 0.813 400 A CB -0.142 18.810 19.000 -0.080 0.000 1.081 400 A HN 0.836 nan 8.150 nan 0.000 0.507 401 D N 1.822 122.341 120.400 0.198 0.000 2.144 401 D HA -0.127 4.513 4.640 0.001 0.000 0.199 401 D C 1.540 177.973 176.300 0.223 0.000 0.984 401 D CA 1.816 55.971 54.000 0.259 0.000 0.834 401 D CB 0.072 40.988 40.800 0.193 0.000 0.955 401 D HN 0.757 nan 8.370 nan 0.000 0.465 402 E N 0.592 120.921 120.200 0.215 0.000 2.077 402 E HA -0.125 4.226 4.350 0.001 0.000 0.193 402 E C 1.623 178.323 176.600 0.166 0.000 0.989 402 E CA 1.020 57.527 56.400 0.178 0.000 0.800 402 E CB -0.129 29.677 29.700 0.175 0.000 0.746 402 E HN 0.258 nan 8.360 nan 0.000 0.452 403 D N 0.270 120.766 120.400 0.160 0.000 2.097 403 D HA -0.098 4.543 4.640 0.001 0.000 0.197 403 D C 1.890 178.265 176.300 0.126 0.000 0.984 403 D CA 1.568 55.642 54.000 0.124 0.000 0.826 403 D CB -0.499 40.367 40.800 0.110 0.000 0.973 403 D HN 0.204 nan 8.370 nan 0.000 0.460 404 A N 1.186 124.074 122.820 0.114 0.000 1.883 404 A HA -0.104 4.217 4.320 0.001 0.000 0.217 404 A C 2.334 179.944 177.584 0.044 0.000 1.186 404 A CA 2.525 54.566 52.037 0.007 0.000 0.624 404 A CB -0.951 18.063 19.000 0.023 0.000 0.822 404 A HN 0.234 nan 8.150 nan 0.000 0.444 405 A N -1.691 121.191 122.820 0.103 0.000 1.948 405 A HA -0.218 4.103 4.320 0.001 0.000 0.220 405 A C 2.135 179.759 177.584 0.067 0.000 1.177 405 A CA 1.827 53.913 52.037 0.081 0.000 0.636 405 A CB -0.878 18.183 19.000 0.100 0.000 0.815 405 A HN 0.746 nan 8.150 nan 0.000 0.449 406 Y N 0.098 120.399 120.300 0.002 0.000 2.333 406 Y HA -0.035 4.516 4.550 0.001 0.000 0.290 406 Y C 1.610 177.498 175.900 -0.020 0.000 1.144 406 Y CA 1.507 59.602 58.100 -0.008 0.000 1.228 406 Y CB -0.032 38.422 38.460 -0.009 0.000 0.985 406 Y HN 0.232 nan 8.280 nan 0.000 0.542 407 L N -0.999 120.276 121.223 0.086 0.000 2.592 407 L HA 0.253 4.593 4.340 0.001 0.000 0.227 407 L C 1.506 178.335 176.870 -0.067 0.000 1.127 407 L CA 0.569 55.413 54.840 0.006 0.000 0.884 407 L CB -0.415 41.639 42.059 -0.008 0.000 1.065 407 L HN 0.373 nan 8.230 nan 0.000 0.457 408 G N 1.280 110.037 108.800 -0.070 0.000 2.147 408 G HA2 -0.267 3.694 3.960 0.001 0.000 0.244 408 G HA3 -0.267 3.694 3.960 0.001 0.000 0.244 408 G C 0.049 174.911 174.900 -0.062 0.000 1.005 408 G CA -0.139 44.920 45.100 -0.069 0.000 0.713 408 G HN 0.311 nan 8.290 nan 0.000 0.515 409 I N 1.021 121.548 120.570 -0.073 0.000 2.377 409 I HA 0.434 4.605 4.170 0.001 0.000 0.293 409 I C 0.638 176.751 176.117 -0.008 0.000 0.987 409 I CA -0.691 60.548 61.300 -0.102 0.000 1.185 409 I CB 1.966 39.791 38.000 -0.292 0.000 1.341 409 I HN 0.144 nan 8.210 nan 0.000 0.455 410 S N 4.380 120.113 115.700 0.054 0.000 2.416 410 S HA 0.256 4.726 4.470 0.001 0.000 0.287 410 S C 1.266 176.010 174.600 0.240 0.000 1.139 410 S CA -0.179 58.106 58.200 0.141 0.000 1.058 410 S CB 0.923 64.213 63.200 0.150 0.000 0.967 410 S HN 0.853 nan 8.310 nan 0.000 0.495 411 G N 4.244 113.225 108.800 0.302 0.000 2.553 411 G HA2 -0.281 3.679 3.960 0.001 0.000 0.218 411 G HA3 -0.281 3.679 3.960 0.001 0.000 0.218 411 G C 1.070 176.196 174.900 0.375 0.000 1.195 411 G CA 1.320 46.693 45.100 0.455 0.000 0.779 411 G HN 0.856 nan 8.290 nan 0.000 0.577 412 Y N 1.955 122.367 120.300 0.187 0.000 2.081 412 Y HA -0.187 4.363 4.550 0.001 0.000 0.280 412 Y C 2.615 178.613 175.900 0.163 0.000 1.163 412 Y CA 2.347 60.536 58.100 0.148 0.000 1.135 412 Y CB -0.181 38.343 38.460 0.107 0.000 0.970 412 Y HN 0.225 nan 8.280 nan 0.000 0.498 413 D N -1.313 119.281 120.400 0.323 0.000 2.117 413 D HA -0.199 4.442 4.640 0.001 0.000 0.197 413 D C 1.998 178.386 176.300 0.147 0.000 0.987 413 D CA 1.895 56.027 54.000 0.220 0.000 0.829 413 D CB -0.650 40.283 40.800 0.221 0.000 0.961 413 D HN 0.493 nan 8.370 nan 0.000 0.460 414 H N 0.866 119.998 119.070 0.103 0.000 2.387 414 H HA 0.063 4.620 4.556 0.001 0.000 0.299 414 H C 1.970 177.328 175.328 0.049 0.000 1.090 414 H CA 1.409 57.512 56.048 0.092 0.000 1.332 414 H CB 0.236 30.053 29.762 0.092 0.000 1.386 414 H HN -0.016 nan 8.280 nan 0.000 0.516 415 R N -0.257 120.288 120.500 0.074 0.000 2.092 415 R HA -0.101 4.239 4.340 0.001 0.000 0.231 415 R C 2.253 178.437 176.300 -0.194 0.000 1.119 415 R CA 1.068 57.094 56.100 -0.124 0.000 0.970 415 R CB -0.010 30.279 30.300 -0.018 0.000 0.864 415 R HN 0.442 nan 8.270 nan 0.000 0.440 416 Q N 0.169 119.870 119.800 -0.165 0.000 2.061 416 Q HA -0.193 4.148 4.340 0.001 0.000 0.204 416 Q C 1.948 177.896 176.000 -0.087 0.000 0.984 416 Q CA 1.487 57.222 55.803 -0.114 0.000 0.846 416 Q CB -0.376 28.314 28.738 -0.080 0.000 0.902 416 Q HN 0.292 nan 8.270 nan 0.000 0.421 417 F N 1.298 121.104 119.950 -0.240 0.000 2.075 417 F HA -0.181 4.346 4.527 0.001 0.000 0.297 417 F C 2.077 177.645 175.800 -0.386 0.000 1.113 417 F CA 1.196 58.989 58.000 -0.344 0.000 1.218 417 F CB -0.592 38.118 39.000 -0.483 0.000 0.984 417 F HN -0.038 nan 8.300 nan 0.000 0.472 418 L N 0.397 121.093 121.223 -0.877 0.000 2.013 418 L HA -0.308 4.032 4.340 0.001 0.000 0.212 418 L C 2.199 178.830 176.870 -0.398 0.000 1.073 418 L CA 2.209 56.482 54.840 -0.944 0.000 0.753 418 L CB -1.081 40.192 42.059 -1.310 0.000 0.890 418 L HN 0.276 nan 8.230 nan 0.000 0.432 419 N N -0.666 117.908 118.700 -0.210 0.000 2.120 419 N HA -0.152 4.588 4.740 0.001 0.000 0.188 419 N C 1.949 177.478 175.510 0.031 0.000 1.024 419 N CA 0.903 54.021 53.050 0.114 0.000 0.852 419 N CB 0.000 38.582 38.487 0.158 0.000 1.003 419 N HN 0.239 nan 8.380 nan 0.000 0.424 420 R N -0.006 120.440 120.500 -0.090 0.000 2.073 420 R HA -0.123 4.218 4.340 0.001 0.000 0.234 420 R C 1.966 178.202 176.300 -0.107 0.000 1.134 420 R CA 1.197 57.265 56.100 -0.053 0.000 0.952 420 R CB -0.562 29.745 30.300 0.012 0.000 0.850 420 R HN 0.242 nan 8.270 nan 0.000 0.433 421 F N 0.767 120.396 119.950 -0.534 0.000 2.069 421 F HA -0.213 4.314 4.527 0.001 0.000 0.298 421 F C 1.692 177.171 175.800 -0.535 0.000 1.113 421 F CA 1.574 59.166 58.000 -0.681 0.000 1.214 421 F CB -0.267 37.911 39.000 -1.371 0.000 0.978 421 F HN -0.125 nan 8.300 nan 0.000 0.474 422 F N -0.203 119.760 119.950 0.022 0.000 2.699 422 F HA 0.005 4.532 4.527 0.001 0.000 0.298 422 F C 1.795 177.576 175.800 -0.031 0.000 1.154 422 F CA 0.867 58.890 58.000 0.038 0.000 1.457 422 F CB -0.542 38.561 39.000 0.172 0.000 1.106 422 F HN -0.026 nan 8.300 nan 0.000 0.585 423 V N -2.855 117.106 119.914 0.077 0.000 3.271 423 V HA 0.305 4.425 4.120 0.001 0.000 0.327 423 V C 0.657 176.743 176.094 -0.014 0.000 1.389 423 V CA -0.046 62.290 62.300 0.060 0.000 1.156 423 V CB -0.913 30.959 31.823 0.082 0.000 1.103 423 V HN 0.386 nan 8.190 nan 0.000 0.453 424 N N 2.080 120.711 118.700 -0.116 0.000 2.738 424 N HA -0.202 4.539 4.740 0.001 0.000 0.249 424 N C 0.264 175.721 175.510 -0.087 0.000 1.047 424 N CA 0.806 53.764 53.050 -0.153 0.000 0.707 424 N CB -0.701 37.733 38.487 -0.088 0.000 0.937 424 N HN 0.603 nan 8.380 nan 0.000 0.545 425 R N 0.355 120.819 120.500 -0.059 0.000 2.748 425 R HA 0.313 4.654 4.340 0.001 0.000 0.395 425 R C -0.739 175.606 176.300 0.075 0.000 1.128 425 R CA -0.194 55.904 56.100 -0.004 0.000 1.042 425 R CB -0.497 29.808 30.300 0.008 0.000 1.392 425 R HN 0.312 nan 8.270 nan 0.000 0.582 426 F N 0.467 120.331 119.950 -0.143 0.000 2.573 426 F HA 0.223 4.750 4.527 0.001 0.000 0.316 426 F C -0.495 175.251 175.800 -0.089 0.000 1.148 426 F CA -1.736 56.218 58.000 -0.076 0.000 0.940 426 F CB 1.504 40.479 39.000 -0.041 0.000 1.214 426 F HN 0.018 nan 8.300 nan 0.000 0.448 427 D N 4.167 124.191 120.400 -0.626 0.000 2.581 427 D HA 0.336 4.977 4.640 0.001 0.000 0.238 427 D C 1.185 177.343 176.300 -0.238 0.000 1.145 427 D CA 2.447 56.201 54.000 -0.410 0.000 0.866 427 D CB 0.513 41.060 40.800 -0.421 0.000 1.151 427 D HN 1.079 nan 8.370 nan 0.000 0.500 428 G N 2.630 111.368 108.800 -0.103 0.000 2.179 428 G HA2 -0.312 3.648 3.960 0.001 0.000 0.260 428 G HA3 -0.312 3.648 3.960 0.001 0.000 0.260 428 G C 0.502 175.388 174.900 -0.023 0.000 0.977 428 G CA 0.349 45.447 45.100 -0.004 0.000 0.641 428 G HN 0.832 nan 8.290 nan 0.000 0.533 429 S N 0.009 115.585 115.700 -0.207 0.000 2.560 429 S HA 0.427 4.897 4.470 0.001 0.000 0.284 429 S C 1.327 175.651 174.600 -0.459 0.000 1.327 429 S CA 0.582 58.345 58.200 -0.729 0.000 1.055 429 S CB 0.055 62.574 63.200 -1.136 0.000 0.868 429 S HN 1.150 nan 8.310 nan 0.000 0.506 430 F N 2.185 121.976 119.950 -0.265 0.000 2.721 430 F HA 0.607 5.135 4.527 0.001 0.000 0.301 430 F C 0.682 176.453 175.800 -0.048 0.000 1.096 430 F CA -0.658 57.311 58.000 -0.052 0.000 1.308 430 F CB -0.894 38.164 39.000 0.098 0.000 1.086 430 F HN 0.521 nan 8.300 nan 0.000 0.587 431 A N 1.556 124.241 122.820 -0.225 0.000 2.340 431 A HA 0.685 5.006 4.320 0.001 0.000 0.268 431 A C 0.575 178.163 177.584 0.007 0.000 1.100 431 A CA -0.624 51.437 52.037 0.040 0.000 0.803 431 A CB 0.418 19.371 19.000 -0.078 0.000 1.043 431 A HN 0.319 nan 8.150 nan 0.000 0.488 432 R N 1.904 122.474 120.500 0.117 0.000 2.795 432 R HA 0.242 4.583 4.340 0.001 0.000 0.320 432 R C 0.392 176.756 176.300 0.107 0.000 1.223 432 R CA 0.115 56.268 56.100 0.088 0.000 1.305 432 R CB 0.574 30.934 30.300 0.101 0.000 1.318 432 R HN 0.840 nan 8.270 nan 0.000 0.636 433 G N -0.062 108.805 108.800 0.111 0.000 2.537 433 G HA2 0.512 4.473 3.960 0.001 0.000 0.297 433 G HA3 0.512 4.473 3.960 0.001 0.000 0.297 433 G C -0.310 174.653 174.900 0.106 0.000 1.310 433 G CA -0.300 44.857 45.100 0.095 0.000 1.027 433 G HN 0.076 nan 8.290 nan 0.000 0.505 434 V N -3.003 116.971 119.914 0.101 0.000 2.789 434 V HA 0.688 4.809 4.120 0.001 0.000 0.311 434 V C -2.835 173.345 176.094 0.142 0.000 1.073 434 V CA -2.571 59.812 62.300 0.139 0.000 0.921 434 V CB 2.011 33.951 31.823 0.194 0.000 1.009 434 V HN 0.531 nan 8.190 nan 0.000 0.426 435 P HA 0.343 nan 4.420 nan 0.000 0.269 435 P C -1.270 176.194 177.300 0.274 0.000 1.215 435 P CA 0.248 63.463 63.100 0.192 0.000 0.780 435 P CB 0.158 31.951 31.700 0.156 0.000 0.898 436 F N 2.209 122.204 119.950 0.074 0.000 2.617 436 F HA 0.229 4.757 4.527 0.001 0.000 0.325 436 F C -0.517 175.337 175.800 0.090 0.000 1.179 436 F CA -0.363 57.668 58.000 0.052 0.000 0.965 436 F CB 1.096 40.089 39.000 -0.012 0.000 1.232 436 F HN 0.254 nan 8.300 nan 0.000 0.461 437 Q N 4.179 123.696 119.800 -0.473 0.000 2.460 437 Q HA -0.303 4.037 4.340 0.001 0.000 0.311 437 Q C -1.090 174.854 176.000 -0.094 0.000 1.396 437 Q CA 0.738 56.317 55.803 -0.372 0.000 0.838 437 Q CB -2.220 26.183 28.738 -0.557 0.000 1.140 437 Q HN 0.764 nan 8.270 nan 0.000 0.415 438 Y N 1.388 121.650 120.300 -0.064 0.000 2.569 438 Y HA 0.226 4.777 4.550 0.001 0.000 0.332 438 Y C 0.260 176.154 175.900 -0.011 0.000 1.120 438 Y CA -0.370 57.726 58.100 -0.006 0.000 1.416 438 Y CB 0.553 39.030 38.460 0.028 0.000 1.210 438 Y HN 0.163 nan 8.280 nan 0.000 0.528 439 N N 9.246 127.537 118.700 -0.681 0.000 2.501 439 N HA 0.233 4.973 4.740 0.001 0.000 0.245 439 N C -2.021 173.014 175.510 -0.791 0.000 0.974 439 N CA -2.344 50.375 53.050 -0.552 0.000 0.941 439 N CB 1.480 39.803 38.487 -0.272 0.000 1.122 439 N HN 0.462 nan 8.380 nan 0.000 0.507 440 P HA -0.142 nan 4.420 nan 0.000 0.219 440 P C 0.921 178.145 177.300 -0.127 0.000 1.146 440 P CA 1.120 64.025 63.100 -0.324 0.000 0.808 440 P CB 0.321 32.011 31.700 -0.017 0.000 0.779 441 S N -1.404 114.222 115.700 -0.123 0.000 2.528 441 S HA 0.001 4.472 4.470 0.001 0.000 0.219 441 S C 1.679 176.258 174.600 -0.035 0.000 0.985 441 S CA 1.149 59.317 58.200 -0.053 0.000 0.914 441 S CB -1.180 61.992 63.200 -0.046 0.000 0.776 441 S HN 0.335 nan 8.310 nan 0.000 0.526 442 T N -4.258 110.260 114.554 -0.060 0.000 2.964 442 T HA 0.523 4.874 4.350 0.001 0.000 0.250 442 T C 1.668 176.436 174.700 0.114 0.000 0.982 442 T CA 0.842 62.950 62.100 0.014 0.000 0.959 442 T CB -0.065 68.798 68.868 -0.010 0.000 1.141 442 T HN 1.174 nan 8.240 nan 0.000 0.494 443 G N 1.526 110.330 108.800 0.007 0.000 2.176 443 G HA2 -0.231 3.730 3.960 0.001 0.000 0.253 443 G HA3 -0.231 3.730 3.960 0.001 0.000 0.253 443 G C -0.194 174.743 174.900 0.061 0.000 0.979 443 G CA 0.206 45.386 45.100 0.133 0.000 0.641 443 G HN 0.860 nan 8.290 nan 0.000 0.530 444 D N -0.449 119.946 120.400 -0.007 0.000 2.372 444 D HA 0.566 5.206 4.640 0.001 0.000 0.243 444 D C 0.263 176.590 176.300 0.046 0.000 1.121 444 D CA 0.688 54.699 54.000 0.019 0.000 0.898 444 D CB 0.982 41.783 40.800 0.002 0.000 1.202 444 D HN 0.613 nan 8.370 nan 0.000 0.428 445 C N 2.744 122.121 119.300 0.129 0.000 3.241 445 C HA 0.655 5.115 4.460 0.001 0.000 0.348 445 C C -1.219 173.876 174.990 0.175 0.000 1.180 445 C CA -0.617 58.509 59.018 0.179 0.000 1.273 445 C CB 0.728 28.651 27.740 0.306 0.000 1.620 445 C HN 0.824 nan 8.230 nan 0.000 0.510 446 R N 1.796 122.378 120.500 0.137 0.000 2.923 446 R HA 0.899 5.239 4.340 0.001 0.000 0.252 446 R C -1.252 175.114 176.300 0.109 0.000 1.130 446 R CA -0.536 55.601 56.100 0.062 0.000 1.043 446 R CB 1.560 31.923 30.300 0.105 0.000 1.205 446 R HN 0.510 nan 8.270 nan 0.000 0.495 447 V N 0.556 120.430 119.914 -0.066 0.000 2.604 447 V HA 0.503 4.623 4.120 0.001 0.000 0.305 447 V C -0.614 175.377 176.094 -0.173 0.000 1.043 447 V CA -0.611 61.654 62.300 -0.058 0.000 0.888 447 V CB 2.032 33.808 31.823 -0.078 0.000 0.995 447 V HN 0.737 nan 8.190 nan 0.000 0.429 448 S N 1.892 117.544 115.700 -0.081 0.000 2.578 448 S HA 0.975 5.446 4.470 0.001 0.000 0.301 448 S C 0.096 174.674 174.600 -0.037 0.000 1.091 448 S CA -0.095 58.070 58.200 -0.059 0.000 1.032 448 S CB 1.853 64.984 63.200 -0.115 0.000 1.064 448 S HN 1.517 nan 8.310 nan 0.000 0.508 449 G N 1.208 110.041 108.800 0.055 0.000 2.326 449 G HA2 0.287 4.247 3.960 0.001 0.000 0.478 449 G HA3 0.287 4.247 3.960 0.001 0.000 0.478 449 G C -0.490 174.352 174.900 -0.095 0.000 1.551 449 G CA -0.476 44.619 45.100 -0.008 0.000 0.946 449 G HN 0.878 nan 8.290 nan 0.000 0.671 450 T N -0.407 114.173 114.554 0.044 0.000 2.813 450 T HA 0.624 4.974 4.350 0.001 0.000 0.297 450 T C 1.981 176.725 174.700 0.074 0.000 1.036 450 T CA 0.823 62.969 62.100 0.077 0.000 1.044 450 T CB 1.484 70.472 68.868 0.201 0.000 0.993 450 T HN 2.107 nan 8.240 nan 0.000 0.535 451 A N 1.440 124.373 122.820 0.188 0.000 1.892 451 A HA 0.056 4.376 4.320 0.001 0.000 0.218 451 A C 2.685 180.489 177.584 0.367 0.000 1.188 451 A CA 2.211 54.475 52.037 0.378 0.000 0.631 451 A CB -1.625 17.659 19.000 0.474 0.000 0.822 451 A HN 1.307 nan 8.150 nan 0.000 0.447 452 A N -0.473 122.509 122.820 0.269 0.000 1.933 452 A HA 0.192 4.513 4.320 0.001 0.000 0.218 452 A C 2.475 180.179 177.584 0.201 0.000 1.175 452 A CA 2.021 54.187 52.037 0.214 0.000 0.628 452 A CB -0.911 18.188 19.000 0.165 0.000 0.814 452 A HN 1.096 nan 8.150 nan 0.000 0.444 453 A N -0.343 122.586 122.820 0.181 0.000 1.930 453 A HA 0.050 4.371 4.320 0.001 0.000 0.217 453 A C 2.062 179.773 177.584 0.210 0.000 1.175 453 A CA 1.342 53.478 52.037 0.165 0.000 0.627 453 A CB -0.489 18.590 19.000 0.132 0.000 0.815 453 A HN 0.467 nan 8.150 nan 0.000 0.443 454 L N -0.061 121.296 121.223 0.224 0.000 2.313 454 L HA -0.057 4.284 4.340 0.001 0.000 0.214 454 L C 2.158 179.439 176.870 0.685 0.000 1.119 454 L CA 0.972 56.024 54.840 0.354 0.000 0.809 454 L CB -0.196 41.822 42.059 -0.069 0.000 0.933 454 L HN 0.419 nan 8.230 nan 0.000 0.449 455 V N -3.770 116.466 119.914 0.536 0.000 3.649 455 V HA 0.452 4.573 4.120 0.001 0.000 0.275 455 V C 1.245 177.445 176.094 0.176 0.000 1.281 455 V CA 0.483 63.002 62.300 0.365 0.000 1.143 455 V CB -0.157 31.766 31.823 0.167 0.000 0.892 455 V HN 0.451 nan 8.190 nan 0.000 0.441 456 G N 0.579 109.543 108.800 0.274 0.000 2.134 456 G HA2 -0.230 3.730 3.960 0.001 0.000 0.209 456 G HA3 -0.230 3.730 3.960 0.001 0.000 0.209 456 G C 0.280 175.249 174.900 0.116 0.000 0.993 456 G CA 0.313 45.534 45.100 0.202 0.000 0.669 456 G HN 0.565 nan 8.290 nan 0.000 0.519 457 L N 0.680 121.968 121.223 0.110 0.000 2.217 457 L HA 0.525 4.866 4.340 0.001 0.000 0.211 457 L C 2.851 179.766 176.870 0.075 0.000 1.107 457 L CA 2.773 57.659 54.840 0.077 0.000 0.783 457 L CB -0.525 41.582 42.059 0.079 0.000 0.919 457 L HN 0.617 nan 8.230 nan 0.000 0.442 458 A N -0.461 122.415 122.820 0.093 0.000 1.940 458 A HA -0.203 4.118 4.320 0.001 0.000 0.219 458 A C 1.910 179.533 177.584 0.065 0.000 1.176 458 A CA 1.701 53.786 52.037 0.081 0.000 0.631 458 A CB -0.513 18.544 19.000 0.094 0.000 0.814 458 A HN 0.671 nan 8.150 nan 0.000 0.446 459 Q N -0.952 118.889 119.800 0.069 0.000 2.204 459 Q HA 0.089 4.430 4.340 0.001 0.000 0.209 459 Q C -1.039 174.988 176.000 0.045 0.000 0.861 459 Q CA 0.479 56.316 55.803 0.056 0.000 0.971 459 Q CB -0.250 28.526 28.738 0.063 0.000 1.095 459 Q HN 0.547 nan 8.270 nan 0.000 0.486 460 D N 1.790 122.214 120.400 0.040 0.000 2.723 460 D HA -0.156 4.485 4.640 0.001 0.000 0.236 460 D C -0.663 175.645 176.300 0.013 0.000 1.138 460 D CA 1.170 55.184 54.000 0.022 0.000 0.676 460 D CB -0.983 39.825 40.800 0.014 0.000 1.069 460 D HN 0.518 nan 8.370 nan 0.000 0.430 461 D N 0.981 121.397 120.400 0.026 0.000 2.434 461 D HA 0.002 4.642 4.640 0.001 0.000 0.252 461 D C -0.723 175.554 176.300 -0.039 0.000 1.185 461 D CA -1.211 52.799 54.000 0.016 0.000 0.886 461 D CB 1.128 41.959 40.800 0.051 0.000 1.148 461 D HN 0.096 nan 8.370 nan 0.000 0.483 462 P HA -0.163 nan 4.420 nan 0.000 0.223 462 P C 0.673 177.857 177.300 -0.192 0.000 1.144 462 P CA 1.080 64.078 63.100 -0.170 0.000 0.783 462 P CB 0.202 31.756 31.700 -0.244 0.000 0.771 463 H N -1.027 118.020 119.070 -0.039 0.000 2.563 463 H HA 0.317 4.873 4.556 0.001 0.000 0.264 463 H C 2.060 177.254 175.328 -0.224 0.000 0.957 463 H CA 0.518 56.515 56.048 -0.085 0.000 1.173 463 H CB -0.263 29.474 29.762 -0.041 0.000 1.420 463 H HN 0.094 nan 8.280 nan 0.000 0.551 464 A N 0.896 123.675 122.820 -0.068 0.000 1.873 464 A HA -0.171 4.150 4.320 0.001 0.000 0.218 464 A C 2.668 180.206 177.584 -0.076 0.000 1.193 464 A CA 1.956 53.938 52.037 -0.092 0.000 0.629 464 A CB -0.944 18.047 19.000 -0.016 0.000 0.826 464 A HN 0.195 nan 8.150 nan 0.000 0.447 465 V N 0.709 120.600 119.914 -0.039 0.000 2.287 465 V HA -0.278 3.843 4.120 0.001 0.000 0.248 465 V C 2.181 178.247 176.094 -0.046 0.000 1.053 465 V CA 2.422 64.708 62.300 -0.023 0.000 1.027 465 V CB -0.836 30.980 31.823 -0.012 0.000 0.646 465 V HN 0.541 nan 8.190 nan 0.000 0.447 466 D N -0.544 119.822 120.400 -0.057 0.000 2.178 466 D HA -0.118 4.522 4.640 0.001 0.000 0.202 466 D C 2.384 178.577 176.300 -0.179 0.000 0.974 466 D CA 0.926 54.888 54.000 -0.064 0.000 0.841 466 D CB -0.219 40.602 40.800 0.036 0.000 0.953 466 D HN 0.408 nan 8.370 nan 0.000 0.478 467 R N 0.242 120.534 120.500 -0.347 0.000 2.081 467 R HA -0.028 4.313 4.340 0.001 0.000 0.235 467 R C 2.540 178.701 176.300 -0.232 0.000 1.131 467 R CA 0.717 56.525 56.100 -0.487 0.000 0.960 467 R CB -0.231 29.713 30.300 -0.593 0.000 0.856 467 R HN 0.219 nan 8.270 nan 0.000 0.436 468 I N 1.070 121.585 120.570 -0.092 0.000 2.226 468 I HA -0.304 3.866 4.170 0.001 0.000 0.245 468 I C 2.050 178.224 176.117 0.095 0.000 1.100 468 I CA 1.500 62.833 61.300 0.055 0.000 1.374 468 I CB -0.233 37.844 38.000 0.128 0.000 1.057 468 I HN 0.137 nan 8.210 nan 0.000 0.413 469 K N 0.326 120.735 120.400 0.016 0.000 2.097 469 K HA -0.189 4.132 4.320 0.001 0.000 0.206 469 K C 2.089 178.683 176.600 -0.010 0.000 1.049 469 K CA 1.187 57.480 56.287 0.012 0.000 0.933 469 K CB -0.320 32.151 32.500 -0.048 0.000 0.717 469 K HN 0.149 nan 8.250 nan 0.000 0.442 470 L N 1.664 122.833 121.223 -0.090 0.000 1.994 470 L HA -0.150 4.190 4.340 0.001 0.000 0.208 470 L C 1.894 178.712 176.870 -0.088 0.000 1.071 470 L CA 1.561 56.315 54.840 -0.143 0.000 0.745 470 L CB -0.450 41.418 42.059 -0.318 0.000 0.892 470 L HN 0.119 nan 8.230 nan 0.000 0.431 471 L N -1.752 119.388 121.223 -0.139 0.000 1.970 471 L HA -0.277 4.064 4.340 0.001 0.000 0.212 471 L C 2.585 179.383 176.870 -0.120 0.000 1.071 471 L CA 1.708 56.437 54.840 -0.185 0.000 0.751 471 L CB -1.002 40.800 42.059 -0.428 0.000 0.889 471 L HN 0.248 nan 8.230 nan 0.000 0.432 472 Y N 0.710 121.003 120.300 -0.012 0.000 2.274 472 Y HA -0.260 4.290 4.550 0.001 0.000 0.290 472 Y C 3.115 179.081 175.900 0.111 0.000 1.145 472 Y CA 1.536 59.665 58.100 0.049 0.000 1.203 472 Y CB -0.535 37.952 38.460 0.046 0.000 0.984 472 Y HN 0.335 nan 8.280 nan 0.000 0.533 473 S N -0.373 115.480 115.700 0.255 0.000 2.382 473 S HA -0.196 4.275 4.470 0.001 0.000 0.228 473 S C 1.931 176.824 174.600 0.488 0.000 1.027 473 S CA 1.507 59.934 58.200 0.377 0.000 0.991 473 S CB -0.923 62.404 63.200 0.211 0.000 0.823 473 S HN 0.486 nan 8.310 nan 0.000 0.469 474 I N 2.062 122.827 120.570 0.326 0.000 2.353 474 I HA -0.040 4.131 4.170 0.001 0.000 0.248 474 I C 3.011 179.216 176.117 0.146 0.000 1.119 474 I CA 1.033 62.504 61.300 0.285 0.000 1.417 474 I CB -0.544 37.591 38.000 0.224 0.000 1.078 474 I HN 0.429 nan 8.210 nan 0.000 0.421 475 A N 0.618 123.502 122.820 0.108 0.000 2.014 475 A HA -0.039 4.281 4.320 0.001 0.000 0.218 475 A C 2.192 179.859 177.584 0.138 0.000 1.163 475 A CA 1.097 53.183 52.037 0.080 0.000 0.652 475 A CB -0.569 18.457 19.000 0.042 0.000 0.808 475 A HN 0.400 nan 8.150 nan 0.000 0.449 476 L N -0.100 121.248 121.223 0.208 0.000 2.492 476 L HA -0.007 4.334 4.340 0.001 0.000 0.223 476 L C 2.070 179.007 176.870 0.111 0.000 1.132 476 L CA 1.146 56.095 54.840 0.182 0.000 0.850 476 L CB 0.118 42.334 42.059 0.261 0.000 0.966 476 L HN 0.555 nan 8.230 nan 0.000 0.454 477 S N -3.752 112.042 115.700 0.157 0.000 2.687 477 S HA -0.021 4.449 4.470 0.001 0.000 0.247 477 S C 1.624 176.299 174.600 0.125 0.000 1.050 477 S CA 0.259 58.535 58.200 0.126 0.000 1.063 477 S CB -0.105 63.055 63.200 -0.066 0.000 1.039 477 S HN 0.319 nan 8.310 nan 0.000 0.580 478 T N -0.554 113.997 114.554 -0.005 0.000 2.995 478 T HA 0.437 4.788 4.350 0.001 0.000 0.269 478 T C 1.241 175.896 174.700 -0.076 0.000 1.091 478 T CA 0.646 62.575 62.100 -0.286 0.000 1.128 478 T CB -0.677 67.908 68.868 -0.471 0.000 0.891 478 T HN 1.560 nan 8.240 nan 0.000 0.492 479 G N -0.603 108.265 108.800 0.114 0.000 3.393 479 G HA2 0.501 4.461 3.960 0.001 0.000 0.676 479 G HA3 0.501 4.461 3.960 0.001 0.000 0.676 479 G C -0.100 174.940 174.900 0.234 0.000 1.224 479 G CA -0.649 44.571 45.100 0.199 0.000 1.109 479 G HN 1.595 nan 8.290 nan 0.000 0.519 480 G N -0.252 108.622 108.800 0.124 0.000 2.351 480 G HA2 0.464 4.425 3.960 0.001 0.000 0.353 480 G HA3 0.464 4.425 3.960 0.001 0.000 0.353 480 G C -0.864 174.051 174.900 0.024 0.000 1.358 480 G CA -0.316 44.838 45.100 0.089 0.000 0.995 480 G HN 1.704 nan 8.290 nan 0.000 0.611 481 L N 2.626 123.824 121.223 -0.041 0.000 2.283 481 L HA 0.502 4.842 4.340 0.001 0.000 0.287 481 L C -1.655 175.144 176.870 -0.119 0.000 1.073 481 L CA -1.970 52.794 54.840 -0.127 0.000 0.822 481 L CB 1.417 43.323 42.059 -0.255 0.000 1.186 481 L HN 0.390 nan 8.230 nan 0.000 0.436 482 P HA 0.098 nan 4.420 nan 0.000 0.280 482 P C -1.177 176.104 177.300 -0.032 0.000 1.244 482 P CA -0.514 62.596 63.100 0.018 0.000 0.784 482 P CB 1.784 33.535 31.700 0.085 0.000 0.913 483 L N 5.329 126.587 121.223 0.059 0.000 2.345 483 L HA 0.421 4.762 4.340 0.001 0.000 0.274 483 L C -0.412 176.635 176.870 0.294 0.000 0.999 483 L CA -0.812 54.073 54.840 0.075 0.000 0.849 483 L CB 0.335 42.397 42.059 0.004 0.000 1.220 483 L HN 0.240 nan 8.230 nan 0.000 0.422 484 I N 4.370 125.107 120.570 0.280 0.000 2.441 484 I HA 0.072 4.243 4.170 0.001 0.000 0.287 484 I C -0.637 175.707 176.117 0.378 0.000 1.049 484 I CA -0.393 61.138 61.300 0.386 0.000 1.381 484 I CB 0.535 38.630 38.000 0.158 0.000 1.409 484 I HN 0.530 nan 8.210 nan 0.000 0.523 485 Y N 7.495 128.016 120.300 0.369 0.000 2.585 485 Y HA 0.306 4.856 4.550 0.001 0.000 0.354 485 Y C 0.096 176.159 175.900 0.272 0.000 1.024 485 Y CA -0.491 57.788 58.100 0.299 0.000 1.321 485 Y CB 0.049 38.710 38.460 0.334 0.000 1.151 485 Y HN 0.361 nan 8.280 nan 0.000 0.525 486 L N 6.297 127.492 121.223 -0.047 0.000 2.615 486 L HA 0.023 4.363 4.340 0.001 0.000 0.284 486 L C 1.312 178.323 176.870 0.234 0.000 1.237 486 L CA 1.495 56.379 54.840 0.073 0.000 0.905 486 L CB -0.117 41.805 42.059 -0.227 0.000 1.149 486 L HN 1.044 nan 8.230 nan 0.000 0.499 487 G N 1.644 110.727 108.800 0.472 0.000 2.352 487 G HA2 -0.233 3.727 3.960 0.001 0.000 0.204 487 G HA3 -0.233 3.727 3.960 0.001 0.000 0.204 487 G C 0.660 175.717 174.900 0.262 0.000 1.004 487 G CA 0.130 45.484 45.100 0.424 0.000 0.648 487 G HN 0.614 nan 8.290 nan 0.000 0.491 488 D N 1.468 122.053 120.400 0.308 0.000 2.144 488 D HA -0.009 4.632 4.640 0.001 0.000 0.200 488 D C 2.429 178.804 176.300 0.126 0.000 0.978 488 D CA 1.333 55.499 54.000 0.277 0.000 0.833 488 D CB -0.163 40.884 40.800 0.412 0.000 0.961 488 D HN 0.706 nan 8.370 nan 0.000 0.470 489 E N 1.036 121.294 120.200 0.097 0.000 2.510 489 E HA -0.114 4.237 4.350 0.001 0.000 0.202 489 E C 1.238 177.893 176.600 0.091 0.000 1.072 489 E CA 0.731 57.179 56.400 0.080 0.000 0.883 489 E CB -0.086 29.751 29.700 0.228 0.000 0.818 489 E HN 0.317 nan 8.360 nan 0.000 0.548 490 V N -4.282 115.609 119.914 -0.038 0.000 3.199 490 V HA 0.524 4.645 4.120 0.001 0.000 0.331 490 V C 0.942 176.977 176.094 -0.098 0.000 1.446 490 V CA -0.081 62.122 62.300 -0.162 0.000 1.120 490 V CB 0.029 31.510 31.823 -0.570 0.000 1.051 490 V HN 0.160 nan 8.190 nan 0.000 0.495 491 G N 1.168 109.970 108.800 0.004 0.000 2.246 491 G HA2 -0.244 3.716 3.960 0.001 0.000 0.273 491 G HA3 -0.244 3.716 3.960 0.001 0.000 0.273 491 G C 0.124 175.058 174.900 0.056 0.000 1.055 491 G CA 0.497 45.628 45.100 0.052 0.000 0.851 491 G HN 0.723 nan 8.290 nan 0.000 0.500 492 T N 0.772 115.370 114.554 0.072 0.000 2.902 492 T HA 0.407 4.757 4.350 0.001 0.000 0.301 492 T C 1.339 176.124 174.700 0.142 0.000 1.012 492 T CA 0.169 62.326 62.100 0.094 0.000 1.151 492 T CB 1.029 69.983 68.868 0.143 0.000 0.946 492 T HN 0.390 nan 8.240 nan 0.000 0.542 493 L N 2.647 123.942 121.223 0.121 0.000 2.472 493 L HA 0.396 4.736 4.340 0.001 0.000 0.256 493 L C 1.054 178.018 176.870 0.157 0.000 1.111 493 L CA -1.340 53.580 54.840 0.133 0.000 0.800 493 L CB 0.324 42.447 42.059 0.107 0.000 1.286 493 L HN 0.517 nan 8.230 nan 0.000 0.479 494 N N 0.562 119.356 118.700 0.158 0.000 2.381 494 N HA -0.039 4.701 4.740 0.001 0.000 0.241 494 N C -0.529 175.098 175.510 0.195 0.000 1.279 494 N CA -0.004 53.151 53.050 0.175 0.000 0.896 494 N CB 0.179 38.775 38.487 0.182 0.000 1.118 494 N HN 0.498 nan 8.380 nan 0.000 0.438 495 D N 0.193 120.731 120.400 0.231 0.000 2.351 495 D HA 0.012 4.653 4.640 0.001 0.000 0.251 495 D C -0.528 175.977 176.300 0.341 0.000 1.137 495 D CA -0.223 53.935 54.000 0.264 0.000 0.879 495 D CB 0.612 41.586 40.800 0.289 0.000 1.181 495 D HN 0.441 nan 8.370 nan 0.000 0.448 496 D N 1.870 122.394 120.400 0.207 0.000 2.427 496 D HA 0.105 4.746 4.640 0.001 0.000 0.224 496 D C -0.133 176.195 176.300 0.046 0.000 1.157 496 D CA -0.212 53.868 54.000 0.134 0.000 0.828 496 D CB 0.585 41.435 40.800 0.084 0.000 0.974 496 D HN 0.202 nan 8.370 nan 0.000 0.498 497 D N -0.656 119.790 120.400 0.075 0.000 2.415 497 D HA -0.032 4.609 4.640 0.001 0.000 0.269 497 D C 1.803 178.061 176.300 -0.070 0.000 1.099 497 D CA -0.148 53.841 54.000 -0.018 0.000 0.865 497 D CB -0.442 40.365 40.800 0.012 0.000 1.359 497 D HN 0.347 nan 8.370 nan 0.000 0.506 498 W N 2.945 124.243 121.300 -0.003 0.000 2.304 498 W HA -0.258 4.403 4.660 0.001 0.000 0.315 498 W C 1.630 178.145 176.519 -0.006 0.000 1.233 498 W CA 1.848 59.184 57.345 -0.015 0.000 1.261 498 W CB -1.446 28.066 29.460 0.086 0.000 1.150 498 W HN 0.020 nan 8.180 nan 0.000 0.494 499 S N 0.820 115.581 115.700 -1.564 0.000 2.420 499 S HA -0.273 4.197 4.470 0.001 0.000 0.237 499 S C 1.696 175.952 174.600 -0.573 0.000 1.023 499 S CA 1.766 59.082 58.200 -1.472 0.000 0.991 499 S CB -0.779 61.601 63.200 -1.366 0.000 0.792 499 S HN 0.626 nan 8.310 nan 0.000 0.488 500 Q N 0.354 119.931 119.800 -0.371 0.000 2.247 500 Q HA 0.218 4.559 4.340 0.001 0.000 0.211 500 Q C -0.412 175.505 176.000 -0.138 0.000 0.861 500 Q CA -0.160 55.518 55.803 -0.208 0.000 0.949 500 Q CB 0.314 28.952 28.738 -0.166 0.000 1.115 500 Q HN 0.502 nan 8.270 nan 0.000 0.507 501 D N 0.874 121.195 120.400 -0.132 0.000 2.336 501 D HA -0.008 4.632 4.640 0.001 0.000 0.249 501 D C 1.042 177.295 176.300 -0.078 0.000 1.213 501 D CA 0.079 54.017 54.000 -0.103 0.000 0.870 501 D CB 1.237 41.964 40.800 -0.122 0.000 1.076 501 D HN 0.130 nan 8.370 nan 0.000 0.483 502 S N 3.119 118.779 115.700 -0.066 0.000 2.440 502 S HA -0.232 4.238 4.470 0.001 0.000 0.240 502 S C 1.192 175.777 174.600 -0.026 0.000 1.014 502 S CA 1.104 59.282 58.200 -0.037 0.000 0.980 502 S CB -0.311 62.868 63.200 -0.035 0.000 0.775 502 S HN 0.612 nan 8.310 nan 0.000 0.499 503 N N 0.426 119.085 118.700 -0.068 0.000 2.336 503 N HA 0.197 4.938 4.740 0.001 0.000 0.189 503 N C 1.399 176.858 175.510 -0.085 0.000 1.113 503 N CA 0.255 53.261 53.050 -0.074 0.000 0.858 503 N CB 0.196 38.603 38.487 -0.133 0.000 0.970 503 N HN 0.468 nan 8.380 nan 0.000 0.471 504 K N -0.557 119.794 120.400 -0.082 0.000 2.474 504 K HA 0.098 4.419 4.320 0.001 0.000 0.202 504 K C 1.774 178.591 176.600 0.363 0.000 1.248 504 K CA 0.244 56.521 56.287 -0.016 0.000 0.946 504 K CB 0.462 32.785 32.500 -0.294 0.000 1.102 504 K HN 0.026 nan 8.250 nan 0.000 0.541 505 S N 2.453 118.288 115.700 0.225 0.000 2.407 505 S HA -0.209 4.261 4.470 0.001 0.000 0.235 505 S C 1.427 176.245 174.600 0.363 0.000 1.036 505 S CA 1.961 60.291 58.200 0.218 0.000 1.013 505 S CB -0.508 62.706 63.200 0.023 0.000 0.820 505 S HN 0.380 nan 8.310 nan 0.000 0.476 506 D N 0.186 120.769 120.400 0.306 0.000 2.342 506 D HA 0.152 4.793 4.640 0.001 0.000 0.221 506 D C -0.284 176.205 176.300 0.315 0.000 1.101 506 D CA -0.136 54.029 54.000 0.275 0.000 0.837 506 D CB -0.188 40.722 40.800 0.183 0.000 0.938 506 D HN 0.348 nan 8.370 nan 0.000 0.508 507 D N 0.714 121.362 120.400 0.413 0.000 2.346 507 D HA 0.029 4.669 4.640 0.001 0.000 0.255 507 D C 1.006 177.356 176.300 0.082 0.000 1.276 507 D CA -0.290 53.910 54.000 0.334 0.000 0.941 507 D CB 1.377 42.364 40.800 0.312 0.000 1.199 507 D HN -0.063 nan 8.370 nan 0.000 0.537 508 S N 2.846 118.525 115.700 -0.035 0.000 2.493 508 S HA -0.146 4.324 4.470 0.001 0.000 0.243 508 S C 1.651 175.655 174.600 -0.994 0.000 0.991 508 S CA 0.442 58.207 58.200 -0.724 0.000 0.957 508 S CB -0.093 63.025 63.200 -0.136 0.000 0.756 508 S HN 0.439 nan 8.310 nan 0.000 0.521 509 R N -0.330 119.585 120.500 -0.975 0.000 2.193 509 R HA -0.022 4.318 4.340 0.001 0.000 0.229 509 R C 1.425 176.901 176.300 -1.373 0.000 1.110 509 R CA 1.538 56.877 56.100 -1.267 0.000 0.988 509 R CB -0.336 29.268 30.300 -1.161 0.000 0.871 509 R HN 0.605 nan 8.270 nan 0.000 0.458 510 W N 0.350 121.135 121.300 -0.858 0.000 2.611 510 W HA -0.025 4.635 4.660 0.001 0.000 0.251 510 W C 2.260 178.335 176.519 -0.740 0.000 1.265 510 W CA 0.561 57.543 57.345 -0.606 0.000 1.295 510 W CB -0.048 29.265 29.460 -0.245 0.000 1.129 510 W HN 0.160 nan 8.180 nan 0.000 0.630 511 A N 0.402 122.569 122.820 -1.088 0.000 1.902 511 A HA -0.226 4.095 4.320 0.001 0.000 0.217 511 A C 1.606 179.049 177.584 -0.235 0.000 1.181 511 A CA 1.777 53.358 52.037 -0.760 0.000 0.623 511 A CB -1.222 17.388 19.000 -0.651 0.000 0.818 511 A HN 0.588 nan 8.150 nan 0.000 0.443 512 H N -2.024 116.914 119.070 -0.220 0.000 2.568 512 H HA 0.412 4.968 4.556 0.001 0.000 0.302 512 H C -0.134 175.245 175.328 0.085 0.000 1.065 512 H CA -0.204 55.801 56.048 -0.071 0.000 1.140 512 H CB -0.173 29.479 29.762 -0.183 0.000 1.474 512 H HN 0.379 nan 8.280 nan 0.000 0.545 513 R N 2.260 122.786 120.500 0.043 0.000 3.026 513 R HA 0.247 4.588 4.340 0.001 0.000 0.317 513 R C -2.631 173.802 176.300 0.223 0.000 1.278 513 R CA -1.494 54.711 56.100 0.175 0.000 1.407 513 R CB 0.968 31.207 30.300 -0.101 0.000 1.368 513 R HN 0.357 nan 8.270 nan 0.000 0.612 514 P HA 0.121 nan 4.420 nan 0.000 0.274 514 P C -0.427 177.008 177.300 0.224 0.000 1.246 514 P CA -0.351 62.884 63.100 0.225 0.000 0.795 514 P CB 1.121 32.953 31.700 0.220 0.000 1.006 515 R N -0.273 120.334 120.500 0.179 0.000 2.583 515 R HA 0.203 4.544 4.340 0.001 0.000 0.268 515 R C 0.076 176.484 176.300 0.181 0.000 1.101 515 R CA -0.615 55.588 56.100 0.172 0.000 1.180 515 R CB -0.004 30.367 30.300 0.119 0.000 1.128 515 R HN 0.474 nan 8.270 nan 0.000 0.568 516 Y N 1.254 121.542 120.300 -0.020 0.000 2.729 516 Y HA -0.144 4.406 4.550 0.001 0.000 0.331 516 Y C 0.079 175.964 175.900 -0.025 0.000 1.208 516 Y CA 0.590 58.595 58.100 -0.158 0.000 1.521 516 Y CB 0.069 38.217 38.460 -0.520 0.000 1.233 516 Y HN 0.494 nan 8.280 nan 0.000 0.539 517 N N 5.587 124.172 118.700 -0.191 0.000 2.521 517 N HA 0.020 4.760 4.740 0.001 0.000 0.236 517 N C 0.671 176.083 175.510 -0.162 0.000 1.067 517 N CA -0.426 52.563 53.050 -0.101 0.000 0.939 517 N CB 0.478 38.925 38.487 -0.067 0.000 1.201 517 N HN 0.707 nan 8.380 nan 0.000 0.511 518 E N 2.288 122.478 120.200 -0.017 0.000 2.065 518 E HA -0.280 4.071 4.350 0.001 0.000 0.201 518 E C 1.787 178.386 176.600 -0.001 0.000 1.016 518 E CA 1.469 57.902 56.400 0.055 0.000 0.818 518 E CB -0.540 29.209 29.700 0.081 0.000 0.749 518 E HN 0.765 nan 8.360 nan 0.000 0.453 519 A N 1.452 124.260 122.820 -0.019 0.000 1.873 519 A HA -0.208 4.113 4.320 0.001 0.000 0.218 519 A C 2.491 180.033 177.584 -0.069 0.000 1.193 519 A CA 1.769 53.787 52.037 -0.033 0.000 0.629 519 A CB -0.953 18.032 19.000 -0.026 0.000 0.826 519 A HN 0.214 nan 8.150 nan 0.000 0.447 520 L N -2.533 118.620 121.223 -0.116 0.000 2.046 520 L HA -0.217 4.123 4.340 0.001 0.000 0.208 520 L C 2.625 179.324 176.870 -0.285 0.000 1.077 520 L CA 1.622 56.344 54.840 -0.196 0.000 0.747 520 L CB -0.723 41.185 42.059 -0.253 0.000 0.896 520 L HN 0.459 nan 8.230 nan 0.000 0.432 521 Y N -0.010 120.122 120.300 -0.279 0.000 2.333 521 Y HA -0.174 4.376 4.550 0.001 0.000 0.290 521 Y C 2.533 178.301 175.900 -0.219 0.000 1.144 521 Y CA 1.046 58.951 58.100 -0.324 0.000 1.228 521 Y CB -0.422 37.725 38.460 -0.522 0.000 0.985 521 Y HN 0.134 nan 8.280 nan 0.000 0.542 522 A N -0.691 122.111 122.820 -0.029 0.000 2.167 522 A HA -0.103 4.217 4.320 0.001 0.000 0.214 522 A C 1.693 179.245 177.584 -0.053 0.000 1.151 522 A CA 0.883 52.903 52.037 -0.030 0.000 0.735 522 A CB -0.295 18.695 19.000 -0.016 0.000 0.802 522 A HN 0.520 nan 8.150 nan 0.000 0.467 523 Q N -0.763 118.989 119.800 -0.080 0.000 2.198 523 Q HA 0.056 4.397 4.340 0.001 0.000 0.209 523 Q C 1.573 177.526 176.000 -0.079 0.000 0.848 523 Q CA 0.059 55.821 55.803 -0.068 0.000 0.974 523 Q CB 0.276 28.977 28.738 -0.062 0.000 1.115 523 Q HN 0.836 nan 8.270 nan 0.000 0.494 524 R N 0.092 120.511 120.500 -0.136 0.000 2.193 524 R HA -0.027 4.314 4.340 0.001 0.000 0.229 524 R C 0.846 177.115 176.300 -0.051 0.000 1.110 524 R CA 1.225 57.220 56.100 -0.175 0.000 0.988 524 R CB -0.068 29.922 30.300 -0.515 0.000 0.871 524 R HN 0.080 nan 8.270 nan 0.000 0.458 525 N N 0.660 119.339 118.700 -0.034 0.000 2.230 525 N HA -0.019 4.721 4.740 0.001 0.000 0.202 525 N C -0.774 174.755 175.510 0.033 0.000 1.119 525 N CA 0.152 53.222 53.050 0.034 0.000 0.851 525 N CB 0.424 38.926 38.487 0.024 0.000 0.990 525 N HN 0.231 nan 8.380 nan 0.000 0.497 526 D N 2.089 122.498 120.400 0.015 0.000 2.428 526 D HA 0.139 4.780 4.640 0.001 0.000 0.221 526 D C -1.563 174.747 176.300 0.017 0.000 1.123 526 D CA -2.032 51.974 54.000 0.011 0.000 0.869 526 D CB 1.691 42.489 40.800 -0.003 0.000 1.032 526 D HN 0.040 nan 8.370 nan 0.000 0.506 527 P HA -0.050 nan 4.420 nan 0.000 0.231 527 P C 0.615 177.919 177.300 0.006 0.000 1.158 527 P CA 0.362 63.472 63.100 0.016 0.000 0.763 527 P CB 0.451 32.157 31.700 0.011 0.000 0.805 528 S N -0.924 114.778 115.700 0.003 0.000 2.556 528 S HA 0.061 4.532 4.470 0.001 0.000 0.216 528 S C 1.042 175.640 174.600 -0.003 0.000 0.970 528 S CA 0.114 58.313 58.200 -0.002 0.000 0.912 528 S CB -0.199 62.999 63.200 -0.002 0.000 0.790 528 S HN 0.402 nan 8.310 nan 0.000 0.504 529 T N -1.510 113.043 114.554 -0.003 0.000 2.940 529 T HA 0.764 5.115 4.350 0.001 0.000 0.288 529 T C 1.206 175.903 174.700 -0.004 0.000 1.033 529 T CA -0.328 61.767 62.100 -0.007 0.000 1.033 529 T CB 1.723 70.582 68.868 -0.015 0.000 1.079 529 T HN -0.066 nan 8.240 nan 0.000 0.496 530 A N 1.475 124.291 122.820 -0.007 0.000 1.933 530 A HA 0.196 4.517 4.320 0.001 0.000 0.218 530 A C 2.567 180.150 177.584 -0.001 0.000 1.175 530 A CA 1.848 53.884 52.037 -0.002 0.000 0.628 530 A CB -1.484 17.516 19.000 -0.000 0.000 0.814 530 A HN 1.289 nan 8.150 nan 0.000 0.444 531 A N -0.493 122.315 122.820 -0.020 0.000 1.908 531 A HA 0.085 4.405 4.320 0.001 0.000 0.218 531 A C 2.409 180.001 177.584 0.013 0.000 1.181 531 A CA 2.021 54.034 52.037 -0.040 0.000 0.627 531 A CB -1.359 17.580 19.000 -0.102 0.000 0.818 531 A HN 0.736 nan 8.150 nan 0.000 0.445 532 G N -1.142 107.670 108.800 0.020 0.000 2.403 532 G HA2 -0.150 3.811 3.960 0.001 0.000 0.216 532 G HA3 -0.150 3.811 3.960 0.001 0.000 0.216 532 G C 1.601 176.555 174.900 0.091 0.000 1.154 532 G CA 0.899 46.041 45.100 0.070 0.000 0.784 532 G HN 0.640 nan 8.290 nan 0.000 0.538 533 Q N -0.208 119.618 119.800 0.044 0.000 2.079 533 Q HA 0.025 4.365 4.340 0.001 0.000 0.200 533 Q C 2.564 178.579 176.000 0.025 0.000 0.974 533 Q CA 0.959 56.778 55.803 0.026 0.000 0.840 533 Q CB -0.171 28.571 28.738 0.007 0.000 0.898 533 Q HN 0.512 nan 8.270 nan 0.000 0.430 534 I N -0.424 120.167 120.570 0.035 0.000 2.163 534 I HA -0.290 3.880 4.170 0.001 0.000 0.240 534 I C 2.272 178.405 176.117 0.027 0.000 1.081 534 I CA 1.256 62.571 61.300 0.026 0.000 1.353 534 I CB -0.359 37.662 38.000 0.035 0.000 1.054 534 I HN 0.195 nan 8.210 nan 0.000 0.407 535 Y N 1.853 122.142 120.300 -0.019 0.000 2.070 535 Y HA -0.318 4.233 4.550 0.001 0.000 0.280 535 Y C 2.787 178.703 175.900 0.026 0.000 1.148 535 Y CA 1.727 59.833 58.100 0.010 0.000 1.125 535 Y CB -0.305 38.172 38.460 0.029 0.000 0.975 535 Y HN 0.129 nan 8.280 nan 0.000 0.492 536 Q N 0.221 120.054 119.800 0.055 0.000 2.096 536 Q HA -0.198 4.142 4.340 0.001 0.000 0.204 536 Q C 1.826 177.778 176.000 -0.080 0.000 0.982 536 Q CA 1.828 57.621 55.803 -0.016 0.000 0.850 536 Q CB -0.510 28.277 28.738 0.081 0.000 0.901 536 Q HN 0.613 nan 8.270 nan 0.000 0.422 537 D N -0.022 120.342 120.400 -0.061 0.000 2.183 537 D HA -0.074 4.567 4.640 0.001 0.000 0.203 537 D C 1.952 178.203 176.300 -0.082 0.000 0.969 537 D CA 0.453 54.421 54.000 -0.053 0.000 0.842 537 D CB 0.082 40.850 40.800 -0.053 0.000 0.957 537 D HN 0.105 nan 8.370 nan 0.000 0.484 538 L N 0.422 121.557 121.223 -0.146 0.000 2.131 538 L HA -0.028 4.312 4.340 0.001 0.000 0.206 538 L C 2.280 179.020 176.870 -0.217 0.000 1.087 538 L CA 0.956 55.690 54.840 -0.178 0.000 0.767 538 L CB -0.268 41.654 42.059 -0.228 0.000 0.917 538 L HN -0.161 nan 8.230 nan 0.000 0.441 539 R N -1.307 118.987 120.500 -0.342 0.000 2.092 539 R HA -0.208 4.132 4.340 0.001 0.000 0.231 539 R C 2.375 178.601 176.300 -0.123 0.000 1.119 539 R CA 1.468 57.374 56.100 -0.324 0.000 0.970 539 R CB -0.518 29.463 30.300 -0.532 0.000 0.864 539 R HN 0.475 nan 8.270 nan 0.000 0.440 540 H N -0.286 118.686 119.070 -0.164 0.000 2.321 540 H HA -0.019 4.537 4.556 0.001 0.000 0.300 540 H C 1.735 177.012 175.328 -0.084 0.000 1.087 540 H CA 2.476 58.462 56.048 -0.103 0.000 1.319 540 H CB -0.116 29.580 29.762 -0.109 0.000 1.379 540 H HN 0.175 nan 8.280 nan 0.000 0.501 541 M N -0.600 118.852 119.600 -0.246 0.000 2.159 541 M HA -0.107 4.374 4.480 0.001 0.000 0.263 541 M C 2.281 178.533 176.300 -0.079 0.000 1.063 541 M CA 1.427 56.601 55.300 -0.210 0.000 1.110 541 M CB -0.120 32.396 32.600 -0.140 0.000 1.374 541 M HN 0.305 nan 8.290 nan 0.000 0.411 542 I N 0.090 120.604 120.570 -0.094 0.000 2.179 542 I HA -0.251 3.920 4.170 0.001 0.000 0.242 542 I C 2.726 178.786 176.117 -0.095 0.000 1.088 542 I CA 1.217 62.471 61.300 -0.077 0.000 1.357 542 I CB -0.562 37.394 38.000 -0.074 0.000 1.051 542 I HN 0.244 nan 8.210 nan 0.000 0.409 543 A N 0.403 123.163 122.820 -0.100 0.000 1.908 543 A HA -0.161 4.160 4.320 0.001 0.000 0.218 543 A C 2.435 179.960 177.584 -0.098 0.000 1.181 543 A CA 1.837 53.831 52.037 -0.070 0.000 0.627 543 A CB -0.957 18.027 19.000 -0.028 0.000 0.818 543 A HN 0.246 nan 8.150 nan 0.000 0.445 544 V N 0.182 119.988 119.914 -0.179 0.000 2.307 544 V HA -0.255 3.865 4.120 0.001 0.000 0.245 544 V C 2.673 178.588 176.094 -0.298 0.000 1.045 544 V CA 2.261 64.462 62.300 -0.167 0.000 1.024 544 V CB -0.820 30.922 31.823 -0.134 0.000 0.651 544 V HN 0.715 nan 8.190 nan 0.000 0.449 545 R N 0.087 120.316 120.500 -0.453 0.000 2.083 545 R HA -0.244 4.097 4.340 0.001 0.000 0.237 545 R C 2.291 178.456 176.300 -0.224 0.000 1.137 545 R CA 2.222 57.950 56.100 -0.621 0.000 0.951 545 R CB -0.290 29.765 30.300 -0.408 0.000 0.851 545 R HN 0.603 nan 8.270 nan 0.000 0.434 546 Q N -0.238 119.490 119.800 -0.119 0.000 2.224 546 Q HA -0.075 4.265 4.340 0.001 0.000 0.203 546 Q C 1.969 177.970 176.000 0.001 0.000 0.970 546 Q CA 1.731 57.514 55.803 -0.034 0.000 0.865 546 Q CB 0.245 28.973 28.738 -0.017 0.000 0.922 546 Q HN 0.503 nan 8.270 nan 0.000 0.445 547 S N -0.570 115.129 115.700 -0.001 0.000 2.497 547 S HA 0.051 4.521 4.470 0.001 0.000 0.218 547 S C 0.707 175.348 174.600 0.067 0.000 1.023 547 S CA -0.405 57.815 58.200 0.034 0.000 0.913 547 S CB 0.186 63.405 63.200 0.033 0.000 0.800 547 S HN 0.106 nan 8.310 nan 0.000 0.505 548 N N 3.288 122.048 118.700 0.101 0.000 2.439 548 N HA 0.299 5.039 4.740 0.001 0.000 0.249 548 N C -1.971 173.674 175.510 0.224 0.000 1.003 548 N CA -1.887 51.279 53.050 0.193 0.000 0.942 548 N CB 1.792 40.484 38.487 0.341 0.000 1.115 548 N HN 0.088 nan 8.380 nan 0.000 0.505 549 P HA -0.113 nan 4.420 nan 0.000 0.223 549 P C 0.660 177.984 177.300 0.040 0.000 1.144 549 P CA 0.853 64.001 63.100 0.080 0.000 0.783 549 P CB 0.408 32.135 31.700 0.045 0.000 0.771 550 R N -1.272 119.226 120.500 -0.003 0.000 2.241 550 R HA -0.021 4.319 4.340 0.001 0.000 0.224 550 R C 1.479 177.549 176.300 -0.382 0.000 1.101 550 R CA 0.941 56.910 56.100 -0.217 0.000 0.995 550 R CB -0.588 29.502 30.300 -0.350 0.000 0.870 550 R HN 0.276 nan 8.270 nan 0.000 0.463 551 F N 0.142 120.028 119.950 -0.107 0.000 2.727 551 F HA 0.125 4.653 4.527 0.001 0.000 0.302 551 F C 0.706 176.462 175.800 -0.073 0.000 1.097 551 F CA -0.673 57.249 58.000 -0.130 0.000 1.330 551 F CB -0.042 38.849 39.000 -0.181 0.000 1.084 551 F HN -0.154 nan 8.300 nan 0.000 0.578 552 D N 0.396 120.845 120.400 0.081 0.000 2.399 552 D HA 0.399 5.039 4.640 0.001 0.000 0.241 552 D C 0.711 177.028 176.300 0.029 0.000 1.133 552 D CA 1.588 55.621 54.000 0.055 0.000 0.890 552 D CB 0.720 41.545 40.800 0.041 0.000 1.201 552 D HN 0.384 nan 8.370 nan 0.000 0.432 553 G N 1.340 110.158 108.800 0.030 0.000 2.796 553 G HA2 0.097 4.058 3.960 0.001 0.000 0.571 553 G HA3 0.097 4.058 3.960 0.001 0.000 0.571 553 G C 0.485 175.408 174.900 0.038 0.000 1.370 553 G CA -0.098 45.013 45.100 0.019 0.000 0.856 553 G HN 0.891 nan 8.290 nan 0.000 0.538 554 G N -0.562 108.262 108.800 0.041 0.000 3.596 554 G HA2 0.451 4.411 3.960 0.001 0.000 0.274 554 G HA3 0.451 4.411 3.960 0.001 0.000 0.274 554 G C 0.561 175.571 174.900 0.184 0.000 1.007 554 G CA 0.009 45.173 45.100 0.107 0.000 0.825 554 G HN 0.518 nan 8.290 nan 0.000 0.508 555 R N 0.505 121.069 120.500 0.106 0.000 2.404 555 R HA 0.663 5.003 4.340 0.001 0.000 0.291 555 R C -0.539 175.802 176.300 0.068 0.000 1.025 555 R CA -0.419 55.748 56.100 0.112 0.000 0.991 555 R CB 1.620 31.942 30.300 0.037 0.000 1.053 555 R HN 0.303 nan 8.270 nan 0.000 0.479 556 L N -1.633 119.619 121.223 0.047 0.000 2.469 556 L HA 0.694 5.034 4.340 0.001 0.000 0.256 556 L C -1.099 175.743 176.870 -0.047 0.000 1.006 556 L CA -1.017 53.788 54.840 -0.059 0.000 0.832 556 L CB 1.821 43.730 42.059 -0.249 0.000 1.421 556 L HN 0.184 nan 8.230 nan 0.000 0.410 557 V N 0.600 120.496 119.914 -0.030 0.000 2.531 557 V HA 0.657 4.777 4.120 0.001 0.000 0.301 557 V C 0.316 176.421 176.094 0.018 0.000 1.034 557 V CA 0.093 62.381 62.300 -0.020 0.000 0.865 557 V CB 1.916 33.742 31.823 0.005 0.000 0.995 557 V HN 1.099 nan 8.190 nan 0.000 0.424 558 T N 1.623 116.159 114.554 -0.030 0.000 2.813 558 T HA 0.575 4.926 4.350 0.001 0.000 0.297 558 T C -0.694 174.121 174.700 0.193 0.000 1.036 558 T CA -0.164 61.968 62.100 0.053 0.000 1.044 558 T CB 1.030 69.779 68.868 -0.200 0.000 0.993 558 T HN 0.440 nan 8.240 nan 0.000 0.535 559 F N 1.529 121.558 119.950 0.132 0.000 2.493 559 F HA 0.426 4.954 4.527 0.001 0.000 0.329 559 F C -0.385 175.543 175.800 0.214 0.000 1.126 559 F CA -1.236 56.846 58.000 0.136 0.000 0.937 559 F CB 1.460 40.506 39.000 0.077 0.000 1.146 559 F HN 0.515 nan 8.300 nan 0.000 0.442 560 N N 4.028 122.470 118.700 -0.430 0.000 2.399 560 N HA 0.039 4.779 4.740 0.001 0.000 0.259 560 N C 1.019 176.311 175.510 -0.363 0.000 1.160 560 N CA 0.536 53.399 53.050 -0.312 0.000 0.946 560 N CB 1.390 39.703 38.487 -0.290 0.000 1.156 560 N HN 0.808 nan 8.380 nan 0.000 0.489 561 T N -1.269 113.302 114.554 0.028 0.000 3.067 561 T HA -0.035 4.315 4.350 0.001 0.000 0.261 561 T C 0.611 175.336 174.700 0.042 0.000 1.110 561 T CA 0.036 62.253 62.100 0.194 0.000 1.113 561 T CB 0.039 69.052 68.868 0.242 0.000 0.917 561 T HN 0.470 nan 8.240 nan 0.000 0.499 562 N N 1.436 120.111 118.700 -0.041 0.000 2.741 562 N HA -0.180 4.561 4.740 0.001 0.000 0.251 562 N C -0.499 174.989 175.510 -0.038 0.000 1.112 562 N CA 1.087 54.106 53.050 -0.051 0.000 0.750 562 N CB -2.004 36.465 38.487 -0.031 0.000 1.119 562 N HN 0.833 nan 8.380 nan 0.000 0.561 563 N N 0.301 118.982 118.700 -0.030 0.000 2.549 563 N HA 0.128 4.868 4.740 0.001 0.000 0.281 563 N C 1.059 176.537 175.510 -0.053 0.000 1.084 563 N CA -0.637 52.403 53.050 -0.016 0.000 0.862 563 N CB 0.709 39.209 38.487 0.022 0.000 1.333 563 N HN 0.119 nan 8.380 nan 0.000 0.523 564 K N 1.607 121.910 120.400 -0.162 0.000 2.442 564 K HA -0.193 4.128 4.320 0.001 0.000 0.200 564 K C 0.049 176.473 176.600 -0.294 0.000 1.045 564 K CA 1.473 57.600 56.287 -0.268 0.000 0.937 564 K CB -0.185 32.096 32.500 -0.365 0.000 0.757 564 K HN 0.672 nan 8.250 nan 0.000 0.474 565 H N -0.042 119.049 119.070 0.035 0.000 2.622 565 H HA 0.346 4.902 4.556 0.001 0.000 0.269 565 H C -0.044 175.374 175.328 0.149 0.000 0.977 565 H CA -0.248 55.848 56.048 0.080 0.000 1.179 565 H CB 0.517 30.315 29.762 0.059 0.000 1.458 565 H HN 0.057 nan 8.280 nan 0.000 0.531 566 I N 1.468 122.164 120.570 0.210 0.000 2.362 566 I HA 0.176 4.347 4.170 0.001 0.000 0.289 566 I C -0.792 175.493 176.117 0.280 0.000 0.994 566 I CA -1.046 60.397 61.300 0.239 0.000 1.158 566 I CB 1.911 39.981 38.000 0.118 0.000 1.315 566 I HN 0.017 nan 8.210 nan 0.000 0.451 567 I N 5.223 126.026 120.570 0.389 0.000 2.472 567 I HA 0.671 4.841 4.170 0.001 0.000 0.290 567 I C 0.327 176.723 176.117 0.464 0.000 1.016 567 I CA 0.337 61.876 61.300 0.399 0.000 1.348 567 I CB 1.380 39.633 38.000 0.422 0.000 1.417 567 I HN 0.618 nan 8.210 nan 0.000 0.521 568 G N 6.459 115.540 108.800 0.469 0.000 2.731 568 G HA2 0.617 4.578 3.960 0.001 0.000 0.298 568 G HA3 0.617 4.578 3.960 0.001 0.000 0.298 568 G C -1.942 173.137 174.900 0.298 0.000 1.424 568 G CA -0.468 44.844 45.100 0.354 0.000 1.029 568 G HN 0.680 nan 8.290 nan 0.000 0.518 569 Y N -0.373 119.932 120.300 0.010 0.000 2.638 569 Y HA 0.799 5.350 4.550 0.001 0.000 0.335 569 Y C -1.087 174.717 175.900 -0.160 0.000 1.155 569 Y CA -1.857 56.215 58.100 -0.047 0.000 1.046 569 Y CB 1.442 39.843 38.460 -0.098 0.000 1.303 569 Y HN 0.474 nan 8.280 nan 0.000 0.460 570 I N 2.991 123.577 120.570 0.025 0.000 2.498 570 I HA 0.516 4.686 4.170 0.001 0.000 0.290 570 I C -0.829 175.241 176.117 -0.078 0.000 1.032 570 I CA -1.196 60.036 61.300 -0.113 0.000 1.073 570 I CB 1.807 39.747 38.000 -0.099 0.000 1.251 570 I HN 0.505 nan 8.210 nan 0.000 0.426 571 R N 4.919 125.311 120.500 -0.180 0.000 2.393 571 R HA 0.355 4.696 4.340 0.001 0.000 0.310 571 R C 0.242 176.426 176.300 -0.193 0.000 0.968 571 R CA -0.703 55.281 56.100 -0.193 0.000 0.867 571 R CB 0.731 30.826 30.300 -0.342 0.000 1.124 571 R HN 0.642 nan 8.270 nan 0.000 0.450 572 N N 1.739 120.364 118.700 -0.125 0.000 2.661 572 N HA -0.305 4.435 4.740 0.001 0.000 0.249 572 N C -0.218 175.237 175.510 -0.093 0.000 1.142 572 N CA 1.217 54.208 53.050 -0.098 0.000 0.727 572 N CB -0.658 37.764 38.487 -0.108 0.000 1.099 572 N HN 0.798 nan 8.380 nan 0.000 0.558 573 N N -1.850 116.794 118.700 -0.093 0.000 2.721 573 N HA -0.270 4.470 4.740 0.001 0.000 0.249 573 N C 0.353 175.805 175.510 -0.096 0.000 1.072 573 N CA 1.306 54.309 53.050 -0.078 0.000 0.710 573 N CB -1.020 37.440 38.487 -0.045 0.000 0.993 573 N HN 0.657 nan 8.380 nan 0.000 0.547 574 A N -1.599 121.136 122.820 -0.142 0.000 2.644 574 A HA 0.339 4.659 4.320 0.001 0.000 0.193 574 A C -0.369 177.092 177.584 -0.205 0.000 1.464 574 A CA -0.115 51.836 52.037 -0.144 0.000 1.095 574 A CB 0.660 19.587 19.000 -0.122 0.000 1.405 574 A HN 0.237 nan 8.150 nan 0.000 0.558 575 L N 1.544 122.592 121.223 -0.293 0.000 2.406 575 L HA 0.595 4.936 4.340 0.001 0.000 0.270 575 L C -1.879 174.747 176.870 -0.406 0.000 0.982 575 L CA -0.582 54.026 54.840 -0.388 0.000 0.843 575 L CB 1.443 43.096 42.059 -0.677 0.000 1.225 575 L HN 0.237 nan 8.230 nan 0.000 0.412 576 L N 5.396 126.377 121.223 -0.403 0.000 2.262 576 L HA 0.731 5.072 4.340 0.001 0.000 0.288 576 L C -0.205 176.271 176.870 -0.657 0.000 1.035 576 L CA -0.048 54.444 54.840 -0.579 0.000 0.820 576 L CB 1.270 42.937 42.059 -0.653 0.000 1.204 576 L HN 0.701 nan 8.230 nan 0.000 0.424 577 A N 4.833 127.185 122.820 -0.780 0.000 2.305 577 A HA 0.778 5.099 4.320 0.001 0.000 0.322 577 A C -1.235 175.959 177.584 -0.650 0.000 1.187 577 A CA -0.327 51.347 52.037 -0.604 0.000 0.825 577 A CB 0.320 18.866 19.000 -0.756 0.000 1.164 577 A HN 0.563 nan 8.150 nan 0.000 0.498 578 F N 0.777 120.682 119.950 -0.076 0.000 2.520 578 F HA 0.671 5.199 4.527 0.001 0.000 0.322 578 F C 0.680 176.513 175.800 0.054 0.000 1.103 578 F CA -0.867 57.126 58.000 -0.011 0.000 0.926 578 F CB 2.724 41.721 39.000 -0.005 0.000 1.154 578 F HN 0.692 nan 8.300 nan 0.000 0.453 579 G N 1.817 110.821 108.800 0.340 0.000 2.737 579 G HA2 0.337 4.298 3.960 0.001 0.000 0.290 579 G HA3 0.337 4.298 3.960 0.001 0.000 0.290 579 G C -1.665 173.361 174.900 0.209 0.000 1.482 579 G CA -0.719 44.512 45.100 0.219 0.000 1.017 579 G HN 0.477 nan 8.290 nan 0.000 0.529 580 N N 1.909 120.635 118.700 0.043 0.000 2.420 580 N HA 0.293 5.034 4.740 0.001 0.000 0.249 580 N C -0.061 175.398 175.510 -0.086 0.000 1.033 580 N CA -0.954 52.113 53.050 0.028 0.000 0.944 580 N CB 0.545 38.994 38.487 -0.063 0.000 1.113 580 N HN 0.262 nan 8.380 nan 0.000 0.502 581 F N 0.888 120.870 119.950 0.053 0.000 2.692 581 F HA 0.226 4.754 4.527 0.001 0.000 0.303 581 F C 1.400 177.150 175.800 -0.083 0.000 1.114 581 F CA -0.118 57.944 58.000 0.104 0.000 1.361 581 F CB 0.059 39.159 39.000 0.166 0.000 1.063 581 F HN 0.329 nan 8.300 nan 0.000 0.550 582 S N 0.650 116.209 115.700 -0.234 0.000 2.578 582 S HA 0.148 4.619 4.470 0.001 0.000 0.283 582 S C 1.099 175.088 174.600 -1.018 0.000 1.195 582 S CA -0.673 57.259 58.200 -0.448 0.000 1.050 582 S CB 0.797 63.761 63.200 -0.394 0.000 1.012 582 S HN 0.422 nan 8.310 nan 0.000 0.511 583 E N 2.639 122.232 120.200 -1.012 0.000 2.476 583 E HA 0.027 4.378 4.350 0.001 0.000 0.191 583 E C -0.900 175.171 176.600 -0.881 0.000 1.064 583 E CA 0.170 55.842 56.400 -1.213 0.000 0.866 583 E CB -0.173 28.991 29.700 -0.893 0.000 0.952 583 E HN 0.626 nan 8.360 nan 0.000 0.492 584 Y N 0.382 120.463 120.300 -0.367 0.000 2.562 584 Y HA 0.461 5.012 4.550 0.001 0.000 0.343 584 Y C -2.305 173.468 175.900 -0.212 0.000 1.025 584 Y CA -3.340 54.632 58.100 -0.214 0.000 1.082 584 Y CB 0.914 39.269 38.460 -0.174 0.000 1.264 584 Y HN -0.184 nan 8.280 nan 0.000 0.478 585 P HA 0.100 nan 4.420 nan 0.000 0.268 585 P C -0.840 176.442 177.300 -0.030 0.000 1.205 585 P CA 0.059 63.148 63.100 -0.019 0.000 0.771 585 P CB 0.565 32.264 31.700 -0.001 0.000 0.858 586 Q N 1.129 120.901 119.800 -0.047 0.000 2.397 586 Q HA 0.518 4.858 4.340 0.001 0.000 0.275 586 Q C -0.650 175.326 176.000 -0.040 0.000 1.090 586 Q CA -0.332 55.453 55.803 -0.029 0.000 0.809 586 Q CB 2.272 31.005 28.738 -0.009 0.000 1.362 586 Q HN 0.291 nan 8.270 nan 0.000 0.431 587 T N 0.420 114.955 114.554 -0.031 0.000 2.885 587 T HA 0.581 4.932 4.350 0.001 0.000 0.285 587 T C -0.537 174.118 174.700 -0.074 0.000 1.019 587 T CA -0.484 61.583 62.100 -0.055 0.000 1.010 587 T CB 1.529 70.378 68.868 -0.033 0.000 1.022 587 T HN 0.223 nan 8.240 nan 0.000 0.466 588 V N 3.699 123.537 119.914 -0.126 0.000 2.334 588 V HA 0.386 4.506 4.120 0.001 0.000 0.281 588 V C 0.898 176.961 176.094 -0.052 0.000 1.016 588 V CA -0.942 61.276 62.300 -0.136 0.000 0.832 588 V CB 1.279 32.885 31.823 -0.361 0.000 0.999 588 V HN 1.147 nan 8.190 nan 0.000 0.439 589 T N 2.592 117.151 114.554 0.008 0.000 2.856 589 T HA 0.349 4.699 4.350 0.001 0.000 0.306 589 T C 1.438 176.185 174.700 0.079 0.000 1.062 589 T CA 0.235 62.362 62.100 0.046 0.000 1.083 589 T CB 1.425 70.334 68.868 0.069 0.000 0.984 589 T HN 0.780 nan 8.240 nan 0.000 0.542 590 A N 0.768 123.636 122.820 0.080 0.000 1.933 590 A HA -0.125 4.195 4.320 0.001 0.000 0.218 590 A C 2.296 179.942 177.584 0.102 0.000 1.175 590 A CA 1.630 53.715 52.037 0.081 0.000 0.628 590 A CB -1.307 17.733 19.000 0.067 0.000 0.814 590 A HN 1.089 nan 8.150 nan 0.000 0.444 591 H N 0.180 119.276 119.070 0.044 0.000 2.319 591 H HA -0.115 4.441 4.556 0.001 0.000 0.299 591 H C 1.875 177.243 175.328 0.066 0.000 1.092 591 H CA 2.112 58.187 56.048 0.046 0.000 1.302 591 H CB -0.254 29.524 29.762 0.028 0.000 1.373 591 H HN 0.417 nan 8.280 nan 0.000 0.497 592 T N 1.069 115.765 114.554 0.238 0.000 2.915 592 T HA -0.038 4.312 4.350 0.001 0.000 0.269 592 T C 1.983 176.842 174.700 0.265 0.000 1.071 592 T CA 0.833 63.066 62.100 0.222 0.000 1.132 592 T CB -0.049 68.937 68.868 0.197 0.000 0.878 592 T HN 0.241 nan 8.240 nan 0.000 0.479 593 L N 0.798 122.142 121.223 0.203 0.000 2.653 593 L HA 0.209 4.549 4.340 0.001 0.000 0.231 593 L C 2.262 179.204 176.870 0.120 0.000 1.153 593 L CA 0.049 55.007 54.840 0.198 0.000 0.933 593 L CB -0.300 41.842 42.059 0.139 0.000 1.175 593 L HN 0.196 nan 8.230 nan 0.000 0.473 594 Q N 0.612 120.448 119.800 0.060 0.000 2.181 594 Q HA -0.200 4.141 4.340 0.001 0.000 0.205 594 Q C 2.246 178.270 176.000 0.041 0.000 0.980 594 Q CA 1.729 57.539 55.803 0.012 0.000 0.862 594 Q CB -0.121 28.562 28.738 -0.091 0.000 0.905 594 Q HN 0.618 nan 8.270 nan 0.000 0.429 595 A N -0.346 122.518 122.820 0.074 0.000 2.218 595 A HA 0.050 4.370 4.320 0.001 0.000 0.209 595 A C 0.843 178.474 177.584 0.078 0.000 1.168 595 A CA 0.170 52.252 52.037 0.074 0.000 0.804 595 A CB 0.131 19.186 19.000 0.092 0.000 0.834 595 A HN 0.140 nan 8.150 nan 0.000 0.482 596 M N 0.144 119.794 119.600 0.085 0.000 2.227 596 M HA 0.305 4.786 4.480 0.001 0.000 0.316 596 M C -2.416 173.933 176.300 0.081 0.000 1.144 596 M CA -2.506 52.827 55.300 0.056 0.000 1.121 596 M CB -0.649 31.966 32.600 0.025 0.000 1.440 596 M HN -0.134 nan 8.290 nan 0.000 0.473 597 P HA 0.036 nan 4.420 nan 0.000 0.269 597 P C 0.566 178.000 177.300 0.224 0.000 1.215 597 P CA -0.019 63.183 63.100 0.169 0.000 0.780 597 P CB 0.116 31.895 31.700 0.132 0.000 0.898 598 F N 0.488 120.445 119.950 0.012 0.000 2.333 598 F HA 0.029 4.556 4.527 0.001 0.000 0.300 598 F C 0.402 176.215 175.800 0.021 0.000 1.083 598 F CA 0.598 58.608 58.000 0.016 0.000 1.395 598 F CB -0.104 38.904 39.000 0.014 0.000 1.056 598 F HN 0.071 nan 8.300 nan 0.000 0.529 599 K N 0.546 120.597 120.400 -0.581 0.000 2.477 599 K HA 0.786 5.107 4.320 0.001 0.000 0.255 599 K C -1.476 174.989 176.600 -0.226 0.000 0.952 599 K CA -0.814 55.132 56.287 -0.568 0.000 0.826 599 K CB 2.390 34.300 32.500 -0.983 0.000 1.331 599 K HN 0.094 nan 8.250 nan 0.000 0.437 600 A N 1.372 124.114 122.820 -0.130 0.000 2.540 600 A HA 0.295 4.616 4.320 0.001 0.000 0.297 600 A C -1.787 175.809 177.584 0.020 0.000 1.056 600 A CA -0.675 51.341 52.037 -0.034 0.000 0.700 600 A CB 1.067 20.048 19.000 -0.032 0.000 1.280 600 A HN 0.823 nan 8.150 nan 0.000 0.398 601 H N 1.647 120.701 119.070 -0.026 0.000 2.646 601 H HA 0.299 4.856 4.556 0.001 0.000 0.325 601 H C -1.173 174.178 175.328 0.039 0.000 1.075 601 H CA 0.373 56.423 56.048 0.004 0.000 1.421 601 H CB 1.048 30.820 29.762 0.017 0.000 1.461 601 H HN 0.705 nan 8.280 nan 0.000 0.525 602 D N 5.000 125.121 120.400 -0.465 0.000 2.359 602 D HA 0.072 4.712 4.640 0.001 0.000 0.230 602 D C 0.967 177.014 176.300 -0.422 0.000 1.118 602 D CA -0.458 53.366 54.000 -0.294 0.000 0.844 602 D CB 0.635 41.344 40.800 -0.153 0.000 1.059 602 D HN 0.587 nan 8.370 nan 0.000 0.493 603 L N 3.753 124.914 121.223 -0.104 0.000 2.265 603 L HA -0.116 4.225 4.340 0.001 0.000 0.215 603 L C 1.792 178.749 176.870 0.144 0.000 1.117 603 L CA 0.340 55.239 54.840 0.098 0.000 0.782 603 L CB -0.294 41.980 42.059 0.359 0.000 0.914 603 L HN 0.599 nan 8.230 nan 0.000 0.441 604 I N 0.026 120.597 120.570 0.001 0.000 2.162 604 I HA -0.099 4.072 4.170 0.001 0.000 0.238 604 I C 2.506 178.602 176.117 -0.034 0.000 1.076 604 I CA 1.838 63.096 61.300 -0.069 0.000 1.353 604 I CB -1.685 36.146 38.000 -0.282 0.000 1.063 604 I HN 0.206 nan 8.210 nan 0.000 0.408 605 G N -0.739 108.010 108.800 -0.085 0.000 2.683 605 G HA2 0.173 4.134 3.960 0.001 0.000 0.213 605 G HA3 0.173 4.134 3.960 0.001 0.000 0.213 605 G C 1.392 176.247 174.900 -0.075 0.000 1.142 605 G CA 0.681 45.728 45.100 -0.088 0.000 0.793 605 G HN 0.622 nan 8.290 nan 0.000 0.534 606 G N -0.422 108.321 108.800 -0.095 0.000 2.162 606 G HA2 -0.273 3.688 3.960 0.001 0.000 0.260 606 G HA3 -0.273 3.688 3.960 0.001 0.000 0.260 606 G C 0.387 175.315 174.900 0.046 0.000 0.976 606 G CA 0.699 45.795 45.100 -0.006 0.000 0.655 606 G HN 0.624 nan 8.290 nan 0.000 0.533 607 K N 0.181 120.546 120.400 -0.059 0.000 2.123 607 K HA 0.589 4.909 4.320 0.001 0.000 0.248 607 K C -0.056 176.553 176.600 0.015 0.000 0.969 607 K CA -0.479 55.817 56.287 0.015 0.000 0.882 607 K CB 1.150 33.644 32.500 -0.011 0.000 1.080 607 K HN 0.048 nan 8.250 nan 0.000 0.441 608 T N 1.542 116.137 114.554 0.068 0.000 2.780 608 T HA 0.237 4.587 4.350 0.001 0.000 0.294 608 T C -0.261 174.425 174.700 -0.022 0.000 0.949 608 T CA -0.599 61.527 62.100 0.044 0.000 1.074 608 T CB 0.627 69.511 68.868 0.026 0.000 0.910 608 T HN 0.142 nan 8.240 nan 0.000 0.501 609 V N 3.189 123.078 119.914 -0.041 0.000 2.547 609 V HA 0.396 4.517 4.120 0.001 0.000 0.299 609 V C 0.384 176.432 176.094 -0.076 0.000 1.040 609 V CA -0.861 61.413 62.300 -0.045 0.000 0.913 609 V CB 1.973 33.783 31.823 -0.022 0.000 0.992 609 V HN 0.894 nan 8.190 nan 0.000 0.449 610 S N 4.088 119.748 115.700 -0.066 0.000 2.489 610 S HA 0.469 4.940 4.470 0.001 0.000 0.277 610 S C 0.683 175.265 174.600 -0.029 0.000 1.230 610 S CA -0.486 57.667 58.200 -0.079 0.000 1.053 610 S CB 0.721 63.893 63.200 -0.046 0.000 0.955 610 S HN 0.595 nan 8.310 nan 0.000 0.488 611 L N 2.909 124.121 121.223 -0.018 0.000 2.693 611 L HA 0.160 4.501 4.340 0.001 0.000 0.235 611 L C 1.237 178.143 176.870 0.060 0.000 1.127 611 L CA -0.021 54.838 54.840 0.031 0.000 0.914 611 L CB -0.175 41.907 42.059 0.038 0.000 1.193 611 L HN 0.597 nan 8.230 nan 0.000 0.502 612 N N 0.767 119.510 118.700 0.072 0.000 2.295 612 N HA 0.007 4.747 4.740 0.001 0.000 0.221 612 N C -0.103 175.446 175.510 0.065 0.000 1.129 612 N CA -0.199 52.905 53.050 0.090 0.000 0.836 612 N CB 0.370 38.943 38.487 0.143 0.000 1.040 612 N HN 0.525 nan 8.380 nan 0.000 0.494 613 Q N -1.606 118.223 119.800 0.048 0.000 2.522 613 Q HA 0.339 4.680 4.340 0.001 0.000 0.285 613 Q C -1.906 174.109 176.000 0.025 0.000 0.982 613 Q CA -0.883 54.942 55.803 0.037 0.000 0.805 613 Q CB 0.493 29.248 28.738 0.030 0.000 1.457 613 Q HN -0.235 nan 8.270 nan 0.000 0.394 614 D N 1.387 121.799 120.400 0.021 0.000 2.658 614 D HA 0.082 4.722 4.640 0.001 0.000 0.230 614 D C -0.938 175.355 176.300 -0.012 0.000 1.118 614 D CA 0.447 54.451 54.000 0.007 0.000 0.848 614 D CB 0.475 41.278 40.800 0.005 0.000 1.160 614 D HN 0.411 nan 8.370 nan 0.000 0.497 615 L N 3.176 124.378 121.223 -0.036 0.000 2.276 615 L HA 0.332 4.672 4.340 0.001 0.000 0.286 615 L C -0.475 176.347 176.870 -0.080 0.000 1.024 615 L CA -0.154 54.651 54.840 -0.058 0.000 0.826 615 L CB 1.367 43.374 42.059 -0.086 0.000 1.211 615 L HN 0.179 nan 8.230 nan 0.000 0.422 616 T N 6.474 120.996 114.554 -0.055 0.000 2.758 616 T HA 0.528 4.879 4.350 0.001 0.000 0.285 616 T C -0.110 174.559 174.700 -0.052 0.000 0.981 616 T CA -0.290 61.778 62.100 -0.053 0.000 0.965 616 T CB 0.666 69.514 68.868 -0.033 0.000 0.927 616 T HN 0.413 nan 8.240 nan 0.000 0.448 617 L N 3.580 124.765 121.223 -0.062 0.000 2.307 617 L HA 0.401 4.741 4.340 0.001 0.000 0.282 617 L C 0.718 177.557 176.870 -0.052 0.000 1.051 617 L CA -1.148 53.660 54.840 -0.053 0.000 0.804 617 L CB 1.079 43.105 42.059 -0.056 0.000 1.197 617 L HN 0.410 nan 8.230 nan 0.000 0.431 618 Q N 2.591 122.366 119.800 -0.042 0.000 2.471 618 Q HA 0.247 4.588 4.340 0.001 0.000 0.223 618 Q C -2.193 173.757 176.000 -0.082 0.000 1.045 618 Q CA -1.866 53.915 55.803 -0.037 0.000 0.956 618 Q CB -0.017 28.715 28.738 -0.011 0.000 1.249 618 Q HN 0.286 nan 8.270 nan 0.000 0.549 619 P HA -0.115 nan 4.420 nan 0.000 0.260 619 P C -0.836 176.333 177.300 -0.218 0.000 1.172 619 P CA 0.629 63.544 63.100 -0.309 0.000 0.760 619 P CB -0.069 31.474 31.700 -0.262 0.000 0.773 620 Y N -0.796 119.397 120.300 -0.179 0.000 4.236 620 Y HA -0.281 4.269 4.550 0.001 0.000 0.220 620 Y C 1.016 176.814 175.900 -0.169 0.000 1.115 620 Y CA 0.808 58.778 58.100 -0.217 0.000 1.811 620 Y CB -2.578 35.744 38.460 -0.230 0.000 1.581 620 Y HN 0.453 nan 8.280 nan 0.000 0.643 621 Q N 0.313 120.091 119.800 -0.037 0.000 2.340 621 Q HA 0.530 4.870 4.340 0.001 0.000 0.249 621 Q C -0.570 175.406 176.000 -0.039 0.000 0.957 621 Q CA -0.220 55.562 55.803 -0.035 0.000 0.882 621 Q CB 1.503 30.221 28.738 -0.034 0.000 1.235 621 Q HN 0.237 nan 8.270 nan 0.000 0.439 622 V N 5.207 125.082 119.914 -0.065 0.000 2.656 622 V HA 0.581 4.702 4.120 0.001 0.000 0.307 622 V C -1.159 174.881 176.094 -0.091 0.000 1.051 622 V CA -0.620 61.639 62.300 -0.068 0.000 0.893 622 V CB 1.893 33.619 31.823 -0.162 0.000 0.999 622 V HN 0.935 nan 8.190 nan 0.000 0.426 623 M N 6.517 126.134 119.600 0.029 0.000 2.395 623 M HA 0.481 4.962 4.480 0.001 0.000 0.307 623 M C -1.846 174.586 176.300 0.220 0.000 1.091 623 M CA -0.328 55.008 55.300 0.060 0.000 0.919 623 M CB 2.553 35.238 32.600 0.142 0.000 1.662 623 M HN 0.634 nan 8.290 nan 0.000 0.440 624 W N 5.006 126.282 121.300 -0.041 0.000 2.453 624 W HA 0.498 5.159 4.660 0.001 0.000 0.298 624 W C -1.350 175.120 176.519 -0.081 0.000 0.983 624 W CA -1.006 56.312 57.345 -0.046 0.000 1.600 624 W CB 0.327 29.856 29.460 0.114 0.000 1.430 624 W HN 0.464 nan 8.180 nan 0.000 0.422 625 L N 2.631 123.871 121.223 0.028 0.000 2.290 625 L HA 0.302 4.642 4.340 0.001 0.000 0.284 625 L C 0.846 177.674 176.870 -0.070 0.000 1.078 625 L CA -0.356 54.462 54.840 -0.037 0.000 0.815 625 L CB 0.871 42.877 42.059 -0.088 0.000 1.162 625 L HN 0.137 nan 8.230 nan 0.000 0.435 626 E N 4.369 124.567 120.200 -0.004 0.000 1.996 626 E HA 0.113 4.463 4.350 0.001 0.000 0.280 626 E C 0.739 177.320 176.600 -0.031 0.000 1.092 626 E CA -0.115 56.276 56.400 -0.014 0.000 0.862 626 E CB 0.795 30.536 29.700 0.068 0.000 1.066 626 E HN 0.600 nan 8.360 nan 0.000 0.396 627 I N -0.735 119.789 120.570 -0.077 0.000 3.883 627 I HA 0.433 4.603 4.170 0.001 0.000 0.326 627 I C 0.548 176.643 176.117 -0.037 0.000 1.283 627 I CA -0.252 61.011 61.300 -0.061 0.000 1.161 627 I CB 0.411 38.350 38.000 -0.101 0.000 1.012 627 I HN 0.240 nan 8.210 nan 0.000 0.421 628 A N 0.000 122.796 122.820 -0.040 0.000 2.254 628 A HA 0.000 4.321 4.320 0.001 0.000 0.244 628 A CA 0.000 52.021 52.037 -0.027 0.000 0.836 628 A CB 0.000 18.976 19.000 -0.039 0.000 0.831 628 A HN 0.000 nan 8.150 nan 0.000 0.486