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 1mw3_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 HLMPLFKCPE 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 PAVFFKSEAI 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 0.000 174.632 174.600 0.053 0.000 1.055 1 S CA 0.000 58.218 58.200 0.030 0.000 1.107 1 S CB 0.000 63.217 63.200 0.029 0.000 0.593 2 P HA 0.458 nan 4.420 nan 0.000 0.275 2 P C -0.949 176.466 177.300 0.191 0.000 1.270 2 P CA -0.435 62.709 63.100 0.073 0.000 0.791 2 P CB 0.135 31.903 31.700 0.113 0.000 1.089 3 N N -2.745 116.034 118.700 0.133 0.000 2.453 3 N HA 0.198 4.938 4.740 0.001 0.000 0.290 3 N C 0.785 176.228 175.510 -0.111 0.000 1.250 3 N CA -0.718 52.404 53.050 0.121 0.000 0.815 3 N CB 0.960 39.499 38.487 0.087 0.000 1.381 3 N HN 0.248 nan 8.380 nan 0.000 0.510 4 S N -0.635 114.950 115.700 -0.192 0.000 2.365 4 S HA -0.239 4.232 4.470 0.001 0.000 0.225 4 S C 1.485 175.962 174.600 -0.205 0.000 1.039 4 S CA 1.473 59.449 58.200 -0.374 0.000 1.033 4 S CB -0.430 62.663 63.200 -0.178 0.000 0.887 4 S HN 0.592 nan 8.310 nan 0.000 0.447 5 Q N -0.226 119.529 119.800 -0.074 0.000 2.061 5 Q HA -0.133 4.207 4.340 0.001 0.000 0.204 5 Q C 1.911 177.919 176.000 0.012 0.000 0.984 5 Q CA 1.882 57.673 55.803 -0.019 0.000 0.846 5 Q CB -1.062 27.687 28.738 0.018 0.000 0.902 5 Q HN 0.833 nan 8.270 nan 0.000 0.421 6 Y N 1.419 121.680 120.300 -0.065 0.000 2.097 6 Y HA -0.214 4.337 4.550 0.001 0.000 0.282 6 Y C 2.145 178.018 175.900 -0.045 0.000 1.152 6 Y CA 1.473 59.548 58.100 -0.042 0.000 1.136 6 Y CB -0.496 37.943 38.460 -0.036 0.000 0.975 6 Y HN 0.012 nan 8.280 nan 0.000 0.498 7 L N 0.164 121.282 121.223 -0.176 0.000 2.042 7 L HA -0.270 4.070 4.340 0.001 0.000 0.210 7 L C 2.505 179.281 176.870 -0.157 0.000 1.076 7 L CA 1.871 56.564 54.840 -0.244 0.000 0.749 7 L CB -0.605 41.294 42.059 -0.267 0.000 0.893 7 L HN 0.188 nan 8.230 nan 0.000 0.432 8 K N -0.348 120.003 120.400 -0.081 0.000 2.097 8 K HA -0.161 4.160 4.320 0.001 0.000 0.206 8 K C 2.183 178.851 176.600 0.115 0.000 1.049 8 K CA 1.928 58.289 56.287 0.124 0.000 0.933 8 K CB -0.318 32.266 32.500 0.140 0.000 0.717 8 K HN 0.497 nan 8.250 nan 0.000 0.442 9 T N -0.856 113.680 114.554 -0.030 0.000 2.833 9 T HA -0.114 4.237 4.350 0.001 0.000 0.269 9 T C 1.884 176.513 174.700 -0.117 0.000 1.054 9 T CA 0.826 62.885 62.100 -0.069 0.000 1.135 9 T CB -0.108 68.707 68.868 -0.088 0.000 0.869 9 T HN 0.164 nan 8.240 nan 0.000 0.466 10 R N 0.238 120.616 120.500 -0.203 0.000 2.153 10 R HA 0.290 4.631 4.340 0.001 0.000 0.218 10 R C 2.476 178.742 176.300 -0.057 0.000 1.072 10 R CA 0.905 56.900 56.100 -0.174 0.000 0.990 10 R CB -0.363 29.761 30.300 -0.295 0.000 0.889 10 R HN 0.443 nan 8.270 nan 0.000 0.452 11 I N 0.912 121.488 120.570 0.010 0.000 2.315 11 I HA -0.252 3.919 4.170 0.001 0.000 0.248 11 I C 1.910 178.060 176.117 0.056 0.000 1.117 11 I CA 1.242 62.602 61.300 0.100 0.000 1.404 11 I CB -0.087 38.068 38.000 0.258 0.000 1.071 11 I HN 0.155 nan 8.210 nan 0.000 0.419 12 L N 0.061 121.267 121.223 -0.029 0.000 2.395 12 L HA -0.129 4.212 4.340 0.001 0.000 0.218 12 L C 1.573 178.482 176.870 0.065 0.000 1.130 12 L CA 0.535 55.355 54.840 -0.034 0.000 0.826 12 L CB -0.543 41.347 42.059 -0.281 0.000 0.941 12 L HN 0.202 nan 8.230 nan 0.000 0.451 13 D N 0.766 121.161 120.400 -0.009 0.000 2.351 13 D HA -0.141 4.500 4.640 0.001 0.000 0.216 13 D C 2.045 178.321 176.300 -0.041 0.000 0.968 13 D CA 1.038 55.027 54.000 -0.019 0.000 0.899 13 D CB 0.034 40.814 40.800 -0.034 0.000 0.907 13 D HN 0.554 nan 8.370 nan 0.000 0.514 14 I N -3.092 117.410 120.570 -0.113 0.000 3.111 14 I HA -0.022 4.149 4.170 0.001 0.000 0.272 14 I C 0.127 176.055 176.117 -0.316 0.000 1.268 14 I CA 0.160 61.318 61.300 -0.237 0.000 1.467 14 I CB -0.276 37.517 38.000 -0.345 0.000 1.087 14 I HN -0.263 nan 8.210 nan 0.000 0.467 15 Y N 2.078 122.356 120.300 -0.037 0.000 2.403 15 Y HA 0.429 4.980 4.550 0.001 0.000 0.323 15 Y C 1.383 177.257 175.900 -0.043 0.000 1.226 15 Y CA -0.828 57.248 58.100 -0.040 0.000 1.235 15 Y CB 0.844 39.263 38.460 -0.068 0.000 1.248 15 Y HN 0.001 nan 8.280 nan 0.000 0.489 16 T N -1.673 112.966 114.554 0.142 0.000 2.788 16 T HA 0.163 4.513 4.350 0.001 0.000 0.287 16 T C -2.059 172.669 174.700 0.047 0.000 1.007 16 T CA -1.628 60.511 62.100 0.064 0.000 1.005 16 T CB 1.056 69.952 68.868 0.047 0.000 1.012 16 T HN 0.337 nan 8.240 nan 0.000 0.530 17 P HA -0.126 nan 4.420 nan 0.000 0.216 17 P C 1.657 178.944 177.300 -0.022 0.000 1.153 17 P CA 0.826 63.921 63.100 -0.008 0.000 0.858 17 P CB 0.069 31.764 31.700 -0.008 0.000 0.789 18 E N 0.007 120.200 120.200 -0.011 0.000 2.072 18 E HA -0.220 4.131 4.350 0.001 0.000 0.191 18 E C 1.935 178.512 176.600 -0.038 0.000 0.985 18 E CA 1.455 57.842 56.400 -0.021 0.000 0.801 18 E CB -0.265 29.431 29.700 -0.007 0.000 0.750 18 E HN 0.337 nan 8.360 nan 0.000 0.452 19 Q N 0.084 119.874 119.800 -0.017 0.000 2.079 19 Q HA -0.131 4.210 4.340 0.001 0.000 0.200 19 Q C 2.444 178.324 176.000 -0.201 0.000 0.974 19 Q CA 1.249 57.023 55.803 -0.049 0.000 0.840 19 Q CB -0.232 28.564 28.738 0.097 0.000 0.898 19 Q HN 0.141 nan 8.270 nan 0.000 0.430 20 R N 0.706 121.114 120.500 -0.153 0.000 2.094 20 R HA -0.213 4.128 4.340 0.001 0.000 0.239 20 R C 2.270 178.401 176.300 -0.280 0.000 1.137 20 R CA 1.506 57.445 56.100 -0.267 0.000 0.943 20 R CB -0.412 29.809 30.300 -0.130 0.000 0.850 20 R HN 0.271 nan 8.270 nan 0.000 0.433 21 A N 0.143 122.863 122.820 -0.166 0.000 1.892 21 A HA -0.164 4.156 4.320 0.001 0.000 0.218 21 A C 2.373 179.872 177.584 -0.141 0.000 1.188 21 A CA 2.070 54.028 52.037 -0.132 0.000 0.631 21 A CB -1.410 17.543 19.000 -0.078 0.000 0.822 21 A HN 0.636 nan 8.150 nan 0.000 0.447 22 G N -0.342 108.374 108.800 -0.141 0.000 2.422 22 G HA2 -0.123 3.838 3.960 0.001 0.000 0.218 22 G HA3 -0.123 3.838 3.960 0.001 0.000 0.218 22 G C 1.389 176.199 174.900 -0.151 0.000 1.146 22 G CA 1.047 46.078 45.100 -0.115 0.000 0.769 22 G HN 0.379 nan 8.290 nan 0.000 0.547 23 I N 1.333 121.725 120.570 -0.297 0.000 2.226 23 I HA -0.097 4.074 4.170 0.001 0.000 0.245 23 I C 2.484 178.390 176.117 -0.351 0.000 1.100 23 I CA 1.014 62.093 61.300 -0.369 0.000 1.374 23 I CB -1.160 36.364 38.000 -0.794 0.000 1.057 23 I HN 0.344 nan 8.210 nan 0.000 0.413 24 E N 0.671 120.615 120.200 -0.427 0.000 2.409 24 E HA -0.170 4.181 4.350 0.001 0.000 0.198 24 E C 1.439 178.039 176.600 -0.001 0.000 1.024 24 E CA 0.574 56.807 56.400 -0.278 0.000 0.861 24 E CB 0.116 29.671 29.700 -0.242 0.000 0.788 24 E HN 0.394 nan 8.360 nan 0.000 0.521 25 K N 0.378 120.771 120.400 -0.013 0.000 2.353 25 K HA 0.073 4.394 4.320 0.001 0.000 0.195 25 K C 0.867 177.515 176.600 0.080 0.000 1.031 25 K CA 0.107 56.416 56.287 0.038 0.000 1.079 25 K CB 0.554 33.058 32.500 0.007 0.000 0.857 25 K HN 0.017 nan 8.250 nan 0.000 0.535 26 S N 1.094 116.858 115.700 0.108 0.000 2.576 26 S HA 0.076 4.547 4.470 0.001 0.000 0.276 26 S C 1.258 175.986 174.600 0.214 0.000 1.339 26 S CA -0.368 57.926 58.200 0.155 0.000 1.039 26 S CB 1.761 65.075 63.200 0.191 0.000 0.902 26 S HN 0.118 nan 8.310 nan 0.000 0.516 27 E N 1.568 121.876 120.200 0.179 0.000 2.077 27 E HA -0.169 4.182 4.350 0.001 0.000 0.193 27 E C 1.086 177.852 176.600 0.276 0.000 0.989 27 E CA 1.888 58.397 56.400 0.182 0.000 0.800 27 E CB -0.470 29.311 29.700 0.133 0.000 0.746 27 E HN 0.767 nan 8.360 nan 0.000 0.452 28 D N -0.260 120.351 120.400 0.351 0.000 2.104 28 D HA -0.188 4.453 4.640 0.001 0.000 0.194 28 D C 1.547 178.289 176.300 0.736 0.000 0.994 28 D CA 1.164 55.500 54.000 0.559 0.000 0.830 28 D CB -0.661 40.422 40.800 0.471 0.000 0.959 28 D HN 0.407 nan 8.370 nan 0.000 0.452 29 W N 1.859 123.411 121.300 0.420 0.000 2.388 29 W HA -0.111 4.550 4.660 0.001 0.000 0.294 29 W C 2.116 178.711 176.519 0.128 0.000 1.212 29 W CA 0.612 58.021 57.345 0.107 0.000 1.271 29 W CB -0.071 29.286 29.460 -0.172 0.000 1.126 29 W HN -0.082 nan 8.180 nan 0.000 0.535 30 R N 0.575 121.187 120.500 0.187 0.000 2.083 30 R HA -0.201 4.140 4.340 0.001 0.000 0.237 30 R C 2.134 178.417 176.300 -0.027 0.000 1.137 30 R CA 1.662 57.794 56.100 0.054 0.000 0.951 30 R CB -0.636 29.730 30.300 0.110 0.000 0.851 30 R HN 0.279 nan 8.270 nan 0.000 0.434 31 Q N -0.524 119.319 119.800 0.071 0.000 2.046 31 Q HA -0.170 4.171 4.340 0.001 0.000 0.200 31 Q C 1.982 177.912 176.000 -0.118 0.000 0.975 31 Q CA 1.316 57.130 55.803 0.018 0.000 0.836 31 Q CB -0.498 28.324 28.738 0.140 0.000 0.896 31 Q HN 0.303 nan 8.270 nan 0.000 0.428 32 F N 1.532 121.325 119.950 -0.261 0.000 2.126 32 F HA -0.237 4.291 4.527 0.001 0.000 0.299 32 F C 2.653 178.154 175.800 -0.498 0.000 1.096 32 F CA 1.709 59.474 58.000 -0.392 0.000 1.255 32 F CB -0.401 38.469 39.000 -0.218 0.000 0.997 32 F HN 0.001 nan 8.300 nan 0.000 0.479 33 S N 0.070 115.363 115.700 -0.678 0.000 2.368 33 S HA -0.242 4.229 4.470 0.001 0.000 0.225 33 S C 2.385 176.722 174.600 -0.439 0.000 1.030 33 S CA 1.444 59.220 58.200 -0.707 0.000 0.999 33 S CB -0.524 62.293 63.200 -0.639 0.000 0.844 33 S HN 0.563 nan 8.310 nan 0.000 0.459 34 R N 0.281 120.597 120.500 -0.306 0.000 2.075 34 R HA 0.017 4.357 4.340 0.001 0.000 0.232 34 R C 2.522 178.689 176.300 -0.222 0.000 1.126 34 R CA 1.402 57.377 56.100 -0.210 0.000 0.963 34 R CB -0.227 29.992 30.300 -0.135 0.000 0.858 34 R HN 0.353 nan 8.270 nan 0.000 0.435 35 R N -0.378 119.977 120.500 -0.242 0.000 2.115 35 R HA -0.036 4.304 4.340 0.001 0.000 0.230 35 R C 2.412 178.604 176.300 -0.181 0.000 1.111 35 R CA 1.363 57.381 56.100 -0.138 0.000 0.976 35 R CB -0.152 30.065 30.300 -0.139 0.000 0.870 35 R HN 0.246 nan 8.270 nan 0.000 0.445 36 M N 0.847 120.198 119.600 -0.416 0.000 2.067 36 M HA -0.171 4.310 4.480 0.001 0.000 0.260 36 M C 1.352 177.555 176.300 -0.161 0.000 1.069 36 M CA 1.742 56.819 55.300 -0.371 0.000 1.117 36 M CB -0.710 31.509 32.600 -0.634 0.000 1.334 36 M HN 0.036 nan 8.290 nan 0.000 0.407 37 D N -0.368 119.911 120.400 -0.201 0.000 2.123 37 D HA -0.120 4.521 4.640 0.001 0.000 0.196 37 D C 1.929 178.153 176.300 -0.127 0.000 0.992 37 D CA 1.656 55.581 54.000 -0.127 0.000 0.833 37 D CB -0.398 40.320 40.800 -0.137 0.000 0.954 37 D HN 0.342 nan 8.370 nan 0.000 0.455 38 T N -0.136 114.286 114.554 -0.220 0.000 2.770 38 T HA -0.078 4.273 4.350 0.001 0.000 0.263 38 T C 1.494 175.927 174.700 -0.445 0.000 1.039 38 T CA 0.912 62.785 62.100 -0.379 0.000 1.142 38 T CB -0.065 68.448 68.868 -0.591 0.000 0.868 38 T HN 0.332 nan 8.240 nan 0.000 0.435 39 H N -0.931 118.098 119.070 -0.068 0.000 2.654 39 H HA 0.269 4.826 4.556 0.001 0.000 0.264 39 H C 1.830 177.136 175.328 -0.037 0.000 0.954 39 H CA -0.102 55.908 56.048 -0.062 0.000 1.199 39 H CB -0.181 29.535 29.762 -0.077 0.000 1.446 39 H HN 0.288 nan 8.280 nan 0.000 0.516 40 F N 3.278 123.212 119.950 -0.027 0.000 2.126 40 F HA -0.057 4.471 4.527 0.001 0.000 0.299 40 F C -0.917 174.867 175.800 -0.027 0.000 1.096 40 F CA 0.527 58.508 58.000 -0.032 0.000 1.255 40 F CB -0.955 38.007 39.000 -0.064 0.000 0.997 40 F HN 0.048 nan 8.300 nan 0.000 0.479 41 P HA -0.208 nan 4.420 nan 0.000 0.216 41 P C 1.302 178.431 177.300 -0.285 0.000 1.150 41 P CA 2.252 65.207 63.100 -0.243 0.000 0.843 41 P CB -0.091 31.559 31.700 -0.083 0.000 0.787 42 K N -0.987 119.296 120.400 -0.194 0.000 2.026 42 K HA -0.135 4.185 4.320 0.001 0.000 0.208 42 K C 1.988 178.459 176.600 -0.214 0.000 1.048 42 K CA 1.087 57.281 56.287 -0.154 0.000 0.929 42 K CB -1.001 31.459 32.500 -0.067 0.000 0.713 42 K HN 0.047 nan 8.250 nan 0.000 0.439 43 L N 1.187 122.257 121.223 -0.255 0.000 2.012 43 L HA -0.194 4.147 4.340 0.001 0.000 0.210 43 L C 2.336 178.973 176.870 -0.388 0.000 1.073 43 L CA 1.712 56.393 54.840 -0.264 0.000 0.748 43 L CB -0.459 41.486 42.059 -0.191 0.000 0.891 43 L HN 0.157 nan 8.230 nan 0.000 0.431 44 M N -0.127 119.072 119.600 -0.667 0.000 2.086 44 M HA -0.195 4.285 4.480 0.001 0.000 0.261 44 M C 2.076 178.195 176.300 -0.302 0.000 1.067 44 M CA 2.068 57.045 55.300 -0.539 0.000 1.116 44 M CB -0.806 31.372 32.600 -0.703 0.000 1.348 44 M HN 0.497 nan 8.290 nan 0.000 0.407 45 N N -0.107 118.429 118.700 -0.275 0.000 2.069 45 N HA -0.186 4.554 4.740 0.001 0.000 0.191 45 N C 1.522 176.918 175.510 -0.190 0.000 1.031 45 N CA 1.893 54.827 53.050 -0.193 0.000 0.852 45 N CB -0.141 38.248 38.487 -0.164 0.000 1.018 45 N HN 0.382 nan 8.380 nan 0.000 0.423 46 E N 0.362 120.440 120.200 -0.203 0.000 2.077 46 E HA -0.126 4.225 4.350 0.001 0.000 0.193 46 E C 2.193 178.631 176.600 -0.271 0.000 0.989 46 E CA 0.688 56.961 56.400 -0.213 0.000 0.800 46 E CB -0.445 29.146 29.700 -0.182 0.000 0.746 46 E HN 0.481 nan 8.360 nan 0.000 0.452 47 L N 1.338 122.396 121.223 -0.276 0.000 2.083 47 L HA -0.178 4.163 4.340 0.001 0.000 0.209 47 L C 2.485 179.254 176.870 -0.167 0.000 1.083 47 L CA 1.333 56.019 54.840 -0.256 0.000 0.752 47 L CB -0.404 41.521 42.059 -0.223 0.000 0.899 47 L HN 0.140 nan 8.230 nan 0.000 0.433 48 D N -0.125 120.184 120.400 -0.152 0.000 2.144 48 D HA -0.185 4.456 4.640 0.001 0.000 0.200 48 D C 2.182 178.394 176.300 -0.147 0.000 0.978 48 D CA 1.588 55.522 54.000 -0.110 0.000 0.833 48 D CB 0.263 41.003 40.800 -0.101 0.000 0.961 48 D HN 0.352 nan 8.370 nan 0.000 0.470 49 S N -0.500 115.083 115.700 -0.195 0.000 2.442 49 S HA -0.077 4.394 4.470 0.001 0.000 0.236 49 S C 2.032 176.447 174.600 -0.308 0.000 1.007 49 S CA 0.926 58.996 58.200 -0.217 0.000 0.965 49 S CB 0.055 63.125 63.200 -0.217 0.000 0.773 49 S HN 0.158 nan 8.310 nan 0.000 0.504 50 V N -0.507 119.153 119.914 -0.424 0.000 2.627 50 V HA 0.172 4.293 4.120 0.001 0.000 0.239 50 V C 1.789 177.552 176.094 -0.552 0.000 1.077 50 V CA 0.802 62.696 62.300 -0.677 0.000 1.103 50 V CB -0.688 30.506 31.823 -1.049 0.000 0.802 50 V HN 0.468 nan 8.190 nan 0.000 0.482 51 Y N 1.027 121.238 120.300 -0.148 0.000 2.510 51 Y HA 0.479 5.030 4.550 0.001 0.000 0.273 51 Y C 1.866 177.730 175.900 -0.061 0.000 1.119 51 Y CA 0.189 58.242 58.100 -0.078 0.000 1.286 51 Y CB -0.689 37.698 38.460 -0.121 0.000 1.061 51 Y HN 0.323 nan 8.280 nan 0.000 0.542 52 G N 1.209 110.026 108.800 0.029 0.000 2.614 52 G HA2 -0.399 3.562 3.960 0.001 0.000 0.303 52 G HA3 -0.399 3.562 3.960 0.001 0.000 0.303 52 G C 0.731 175.646 174.900 0.026 0.000 1.270 52 G CA 0.535 45.641 45.100 0.010 0.000 0.988 52 G HN 0.368 nan 8.290 nan 0.000 0.551 53 N N 2.356 121.070 118.700 0.023 0.000 2.471 53 N HA -0.009 4.732 4.740 0.001 0.000 0.205 53 N C 0.826 176.350 175.510 0.024 0.000 1.251 53 N CA 0.149 53.211 53.050 0.018 0.000 0.843 53 N CB -0.525 37.972 38.487 0.016 0.000 1.044 53 N HN 0.522 nan 8.380 nan 0.000 0.461 54 N N 2.022 120.743 118.700 0.034 0.000 2.357 54 N HA -0.114 4.627 4.740 0.001 0.000 0.257 54 N C 1.159 176.659 175.510 -0.016 0.000 1.250 54 N CA 0.218 53.278 53.050 0.018 0.000 0.862 54 N CB 0.976 39.469 38.487 0.010 0.000 1.066 54 N HN 0.266 nan 8.380 nan 0.000 0.468 55 E N 3.743 123.944 120.200 0.001 0.000 2.153 55 E HA -0.129 4.222 4.350 0.001 0.000 0.194 55 E C 1.312 177.906 176.600 -0.010 0.000 0.988 55 E CA 1.731 58.137 56.400 0.009 0.000 0.811 55 E CB -0.368 29.354 29.700 0.036 0.000 0.746 55 E HN 0.532 nan 8.360 nan 0.000 0.466 56 A N 0.393 123.176 122.820 -0.061 0.000 2.238 56 A HA 0.171 4.492 4.320 0.001 0.000 0.208 56 A C 1.920 179.291 177.584 -0.355 0.000 1.177 56 A CA 0.557 52.504 52.037 -0.150 0.000 0.804 56 A CB -0.500 18.371 19.000 -0.215 0.000 0.823 56 A HN 0.294 nan 8.150 nan 0.000 0.482 57 L N -0.544 120.521 121.223 -0.264 0.000 1.970 57 L HA -0.139 4.201 4.340 0.001 0.000 0.212 57 L C 2.177 178.953 176.870 -0.156 0.000 1.071 57 L CA 2.163 56.846 54.840 -0.263 0.000 0.751 57 L CB -0.695 41.284 42.059 -0.133 0.000 0.889 57 L HN 0.342 nan 8.230 nan 0.000 0.432 58 L N 0.027 121.218 121.223 -0.054 0.000 2.017 58 L HA -0.060 4.281 4.340 0.001 0.000 0.208 58 L C -0.465 176.430 176.870 0.042 0.000 1.073 58 L CA 1.990 56.845 54.840 0.025 0.000 0.745 58 L CB -1.952 40.141 42.059 0.057 0.000 0.894 58 L HN 0.174 nan 8.230 nan 0.000 0.432 59 P HA -0.200 nan 4.420 nan 0.000 0.215 59 P C 2.046 179.422 177.300 0.127 0.000 1.153 59 P CA 1.486 64.662 63.100 0.128 0.000 0.853 59 P CB -0.277 31.548 31.700 0.207 0.000 0.788 60 M N -0.855 118.657 119.600 -0.147 0.000 2.086 60 M HA -0.130 4.351 4.480 0.001 0.000 0.261 60 M C 1.895 178.189 176.300 -0.009 0.000 1.067 60 M CA 1.843 56.962 55.300 -0.303 0.000 1.116 60 M CB -1.407 30.640 32.600 -0.922 0.000 1.348 60 M HN -0.093 nan 8.290 nan 0.000 0.407 61 L N 1.254 122.475 121.223 -0.004 0.000 2.046 61 L HA -0.172 4.169 4.340 0.001 0.000 0.208 61 L C 2.116 179.087 176.870 0.169 0.000 1.077 61 L CA 1.961 56.870 54.840 0.114 0.000 0.747 61 L CB -0.708 41.431 42.059 0.134 0.000 0.896 61 L HN 0.386 nan 8.230 nan 0.000 0.432 62 E N -1.131 119.158 120.200 0.149 0.000 2.152 62 E HA -0.248 4.102 4.350 0.001 0.000 0.192 62 E C 2.128 178.829 176.600 0.168 0.000 0.983 62 E CA 1.333 57.823 56.400 0.149 0.000 0.818 62 E CB -0.206 29.570 29.700 0.127 0.000 0.758 62 E HN 0.582 nan 8.360 nan 0.000 0.467 63 M N 0.849 120.562 119.600 0.188 0.000 2.099 63 M HA -0.156 4.324 4.480 0.001 0.000 0.262 63 M C 2.313 178.738 176.300 0.209 0.000 1.067 63 M CA 1.109 56.531 55.300 0.203 0.000 1.124 63 M CB -0.006 32.755 32.600 0.269 0.000 1.353 63 M HN 0.152 nan 8.290 nan 0.000 0.410 64 L N 1.096 122.452 121.223 0.222 0.000 2.012 64 L HA -0.181 4.160 4.340 0.001 0.000 0.210 64 L C 2.011 179.034 176.870 0.256 0.000 1.073 64 L CA 1.926 56.906 54.840 0.233 0.000 0.748 64 L CB -0.838 41.371 42.059 0.250 0.000 0.891 64 L HN 0.397 nan 8.230 nan 0.000 0.431 65 L N -0.877 120.507 121.223 0.268 0.000 2.141 65 L HA -0.127 4.214 4.340 0.001 0.000 0.209 65 L C 2.608 179.686 176.870 0.346 0.000 1.094 65 L CA 0.911 55.948 54.840 0.327 0.000 0.763 65 L CB -0.883 41.344 42.059 0.281 0.000 0.908 65 L HN 0.377 nan 8.230 nan 0.000 0.437 66 A N -0.242 122.740 122.820 0.270 0.000 1.898 66 A HA -0.211 4.109 4.320 0.001 0.000 0.216 66 A C 2.241 179.970 177.584 0.241 0.000 1.181 66 A CA 1.284 53.477 52.037 0.261 0.000 0.620 66 A CB -0.346 18.765 19.000 0.185 0.000 0.819 66 A HN 0.462 nan 8.150 nan 0.000 0.442 67 Q N -0.503 119.420 119.800 0.206 0.000 2.119 67 Q HA -0.064 4.277 4.340 0.001 0.000 0.201 67 Q C 2.415 178.521 176.000 0.175 0.000 0.972 67 Q CA 1.176 57.079 55.803 0.166 0.000 0.847 67 Q CB -0.402 28.436 28.738 0.168 0.000 0.903 67 Q HN 0.670 nan 8.270 nan 0.000 0.433 68 A N 1.547 124.516 122.820 0.248 0.000 1.883 68 A HA -0.212 4.108 4.320 0.001 0.000 0.217 68 A C 1.776 179.489 177.584 0.215 0.000 1.186 68 A CA 1.271 53.487 52.037 0.298 0.000 0.624 68 A CB -1.271 17.996 19.000 0.444 0.000 0.822 68 A HN 0.738 nan 8.150 nan 0.000 0.444 69 W N 0.439 121.660 121.300 -0.132 0.000 2.354 69 W HA -0.216 4.445 4.660 0.001 0.000 0.315 69 W C 2.025 178.471 176.519 -0.121 0.000 1.206 69 W CA 1.728 58.762 57.345 -0.517 0.000 1.290 69 W CB -0.262 28.966 29.460 -0.386 0.000 1.152 69 W HN 0.369 nan 8.180 nan 0.000 0.489 70 Q N 0.441 120.070 119.800 -0.284 0.000 2.096 70 Q HA -0.221 4.120 4.340 0.001 0.000 0.204 70 Q C 2.319 178.148 176.000 -0.285 0.000 0.982 70 Q CA 2.034 57.611 55.803 -0.378 0.000 0.850 70 Q CB -1.187 27.483 28.738 -0.114 0.000 0.901 70 Q HN 0.306 nan 8.270 nan 0.000 0.422 71 S N -0.288 115.350 115.700 -0.104 0.000 2.356 71 S HA -0.183 4.287 4.470 0.001 0.000 0.223 71 S C 1.876 176.438 174.600 -0.062 0.000 1.032 71 S CA 1.060 59.241 58.200 -0.030 0.000 1.005 71 S CB -0.292 62.956 63.200 0.080 0.000 0.867 71 S HN 0.469 nan 8.310 nan 0.000 0.449 72 Y N 1.612 121.817 120.300 -0.158 0.000 2.242 72 Y HA 0.038 4.589 4.550 0.001 0.000 0.291 72 Y C 2.801 178.544 175.900 -0.262 0.000 1.137 72 Y CA 1.589 59.620 58.100 -0.115 0.000 1.181 72 Y CB -0.930 37.558 38.460 0.046 0.000 0.989 72 Y HN 0.354 nan 8.280 nan 0.000 0.527 73 S N -0.235 115.074 115.700 -0.652 0.000 2.383 73 S HA -0.247 4.224 4.470 0.001 0.000 0.229 73 S C 1.777 176.103 174.600 -0.457 0.000 1.030 73 S CA 1.872 59.611 58.200 -0.768 0.000 1.002 73 S CB -0.252 62.239 63.200 -1.182 0.000 0.829 73 S HN 0.723 nan 8.310 nan 0.000 0.467 74 Q N 0.150 119.737 119.800 -0.355 0.000 2.389 74 Q HA 0.125 4.466 4.340 0.001 0.000 0.204 74 Q C 0.908 176.785 176.000 -0.204 0.000 0.944 74 Q CA 0.034 55.704 55.803 -0.221 0.000 0.908 74 Q CB -0.004 28.646 28.738 -0.146 0.000 1.002 74 Q HN 0.400 nan 8.270 nan 0.000 0.493 75 R N 2.638 122.979 120.500 -0.265 0.000 2.537 75 R HA -0.059 4.282 4.340 0.001 0.000 0.281 75 R C -0.075 176.099 176.300 -0.210 0.000 0.988 75 R CA -0.119 55.844 56.100 -0.227 0.000 1.077 75 R CB 0.263 30.393 30.300 -0.283 0.000 0.932 75 R HN 0.014 nan 8.270 nan 0.000 0.409 76 N N 1.936 120.558 118.700 -0.129 0.000 2.454 76 N HA -0.070 4.671 4.740 0.001 0.000 0.254 76 N C 0.277 175.729 175.510 -0.096 0.000 1.228 76 N CA 0.580 53.572 53.050 -0.097 0.000 0.900 76 N CB 1.082 39.533 38.487 -0.060 0.000 1.089 76 N HN 0.517 nan 8.380 nan 0.000 0.449 77 S N 1.508 117.160 115.700 -0.080 0.000 2.383 77 S HA -0.139 4.332 4.470 0.001 0.000 0.229 77 S C 1.776 176.348 174.600 -0.047 0.000 1.030 77 S CA 1.374 59.536 58.200 -0.062 0.000 1.002 77 S CB -0.180 62.994 63.200 -0.044 0.000 0.829 77 S HN 0.672 nan 8.310 nan 0.000 0.467 78 S N 1.572 117.247 115.700 -0.042 0.000 2.368 78 S HA 0.041 4.512 4.470 0.001 0.000 0.225 78 S C 1.774 176.339 174.600 -0.058 0.000 1.030 78 S CA 0.919 59.093 58.200 -0.042 0.000 0.999 78 S CB -0.372 62.814 63.200 -0.023 0.000 0.844 78 S HN 0.402 nan 8.310 nan 0.000 0.459 79 L N 0.895 122.088 121.223 -0.049 0.000 2.093 79 L HA -0.057 4.284 4.340 0.001 0.000 0.208 79 L C 2.352 179.202 176.870 -0.034 0.000 1.085 79 L CA 1.113 55.922 54.840 -0.050 0.000 0.755 79 L CB -0.462 41.580 42.059 -0.029 0.000 0.904 79 L HN 0.234 nan 8.230 nan 0.000 0.435 80 K N -0.033 120.351 120.400 -0.026 0.000 2.147 80 K HA -0.159 4.161 4.320 0.001 0.000 0.205 80 K C 1.647 178.260 176.600 0.023 0.000 1.049 80 K CA 1.236 57.542 56.287 0.031 0.000 0.936 80 K CB -0.082 32.416 32.500 -0.003 0.000 0.722 80 K HN 0.270 nan 8.250 nan 0.000 0.446 81 D N 0.788 121.176 120.400 -0.021 0.000 2.144 81 D HA -0.121 4.520 4.640 0.001 0.000 0.200 81 D C 1.796 178.054 176.300 -0.070 0.000 0.978 81 D CA 0.903 54.881 54.000 -0.036 0.000 0.833 81 D CB 0.031 40.801 40.800 -0.050 0.000 0.961 81 D HN 0.091 nan 8.370 nan 0.000 0.470 82 I N 1.585 122.091 120.570 -0.107 0.000 2.315 82 I HA -0.171 3.999 4.170 0.001 0.000 0.248 82 I C 1.738 177.774 176.117 -0.136 0.000 1.117 82 I CA 0.984 62.178 61.300 -0.177 0.000 1.404 82 I CB -0.964 36.889 38.000 -0.245 0.000 1.071 82 I HN -0.068 nan 8.210 nan 0.000 0.419 83 D N 1.244 121.613 120.400 -0.051 0.000 2.092 83 D HA -0.174 4.466 4.640 0.001 0.000 0.193 83 D C 2.361 178.658 176.300 -0.005 0.000 0.994 83 D CA 1.352 55.353 54.000 0.002 0.000 0.828 83 D CB -0.176 40.681 40.800 0.094 0.000 0.963 83 D HN 0.325 nan 8.370 nan 0.000 0.450 84 I N 1.212 121.783 120.570 0.001 0.000 2.226 84 I HA -0.247 3.924 4.170 0.001 0.000 0.245 84 I C 2.544 178.643 176.117 -0.030 0.000 1.100 84 I CA 0.966 62.265 61.300 -0.001 0.000 1.374 84 I CB -0.233 37.772 38.000 0.009 0.000 1.057 84 I HN -0.081 nan 8.210 nan 0.000 0.413 85 A N 0.959 123.736 122.820 -0.071 0.000 1.883 85 A HA -0.221 4.099 4.320 0.001 0.000 0.217 85 A C 2.384 179.897 177.584 -0.118 0.000 1.186 85 A CA 1.683 53.658 52.037 -0.105 0.000 0.624 85 A CB -0.573 18.329 19.000 -0.164 0.000 0.822 85 A HN 0.344 nan 8.150 nan 0.000 0.444 86 R N -0.633 119.772 120.500 -0.158 0.000 2.193 86 R HA -0.010 4.330 4.340 0.001 0.000 0.213 86 R C 1.980 178.323 176.300 0.072 0.000 1.055 86 R CA 1.015 57.044 56.100 -0.119 0.000 0.995 86 R CB -0.159 29.999 30.300 -0.236 0.000 0.893 86 R HN 0.666 nan 8.270 nan 0.000 0.459 87 E N 0.534 120.760 120.200 0.042 0.000 2.106 87 E HA -0.117 4.234 4.350 0.001 0.000 0.192 87 E C 1.246 177.871 176.600 0.040 0.000 0.984 87 E CA 0.830 57.262 56.400 0.054 0.000 0.806 87 E CB 0.062 29.781 29.700 0.032 0.000 0.750 87 E HN 0.332 nan 8.360 nan 0.000 0.458 88 N N 0.793 119.507 118.700 0.024 0.000 2.446 88 N HA -0.067 4.673 4.740 0.001 0.000 0.179 88 N C 0.256 175.789 175.510 0.039 0.000 1.054 88 N CA 0.495 53.557 53.050 0.020 0.000 0.905 88 N CB 0.171 38.662 38.487 0.007 0.000 0.973 88 N HN 0.011 nan 8.380 nan 0.000 0.448 89 N N 0.817 119.556 118.700 0.065 0.000 2.752 89 N HA 0.193 4.934 4.740 0.001 0.000 0.260 89 N C -2.153 173.507 175.510 0.250 0.000 1.562 89 N CA -1.702 51.419 53.050 0.119 0.000 0.788 89 N CB 1.144 39.688 38.487 0.094 0.000 1.192 89 N HN -0.133 nan 8.380 nan 0.000 0.503 90 P HA -0.001 nan 4.420 nan 0.000 0.225 90 P C -0.283 177.213 177.300 0.326 0.000 1.148 90 P CA 0.894 64.202 63.100 0.346 0.000 0.779 90 P CB 0.465 32.217 31.700 0.086 0.000 0.780 91 D N -0.635 119.911 120.400 0.244 0.000 2.336 91 D HA -0.023 4.618 4.640 0.001 0.000 0.228 91 D C 1.713 178.046 176.300 0.054 0.000 1.120 91 D CA -0.098 53.983 54.000 0.134 0.000 0.839 91 D CB -0.827 40.062 40.800 0.149 0.000 0.932 91 D HN 0.403 nan 8.370 nan 0.000 0.509 92 W N 1.375 122.659 121.300 -0.025 0.000 2.392 92 W HA -0.146 4.515 4.660 0.001 0.000 0.279 92 W C 1.415 177.896 176.519 -0.063 0.000 1.225 92 W CA 0.483 57.787 57.345 -0.067 0.000 1.233 92 W CB -1.177 28.200 29.460 -0.138 0.000 1.122 92 W HN 0.084 nan 8.180 nan 0.000 0.561 93 I N -0.737 119.240 120.570 -0.988 0.000 2.614 93 I HA -0.125 4.046 4.170 0.001 0.000 0.258 93 I C 2.036 177.941 176.117 -0.353 0.000 1.189 93 I CA 1.243 62.010 61.300 -0.888 0.000 1.462 93 I CB -0.809 36.678 38.000 -0.854 0.000 1.092 93 I HN -0.091 nan 8.210 nan 0.000 0.442 94 L N 0.807 121.907 121.223 -0.204 0.000 2.592 94 L HA 0.179 4.520 4.340 0.001 0.000 0.227 94 L C 1.320 178.168 176.870 -0.036 0.000 1.127 94 L CA -0.166 54.619 54.840 -0.092 0.000 0.884 94 L CB -0.006 42.020 42.059 -0.055 0.000 1.065 94 L HN 0.218 nan 8.230 nan 0.000 0.457 95 S N 1.042 116.729 115.700 -0.023 0.000 2.549 95 S HA -0.018 4.452 4.470 0.001 0.000 0.283 95 S C 1.473 176.084 174.600 0.018 0.000 1.320 95 S CA -0.601 57.611 58.200 0.021 0.000 1.058 95 S CB 0.467 63.701 63.200 0.057 0.000 0.882 95 S HN 0.457 nan 8.310 nan 0.000 0.498 96 N N 4.744 123.465 118.700 0.036 0.000 2.520 96 N HA -0.081 4.659 4.740 0.001 0.000 0.185 96 N C 0.805 176.326 175.510 0.018 0.000 1.068 96 N CA 0.369 53.442 53.050 0.037 0.000 0.911 96 N CB -0.045 38.495 38.487 0.088 0.000 0.961 96 N HN 0.495 nan 8.380 nan 0.000 0.446 97 K N 0.353 120.772 120.400 0.032 0.000 2.211 97 K HA 0.033 4.353 4.320 0.001 0.000 0.203 97 K C 0.481 177.101 176.600 0.033 0.000 1.050 97 K CA 0.514 56.822 56.287 0.035 0.000 0.945 97 K CB -0.009 32.523 32.500 0.054 0.000 0.732 97 K HN 0.378 nan 8.250 nan 0.000 0.451 98 Q N 0.983 120.799 119.800 0.028 0.000 2.304 98 Q HA 0.190 4.531 4.340 0.001 0.000 0.260 98 Q C -0.582 175.404 176.000 -0.023 0.000 0.965 98 Q CA -0.022 55.794 55.803 0.022 0.000 0.898 98 Q CB 1.482 30.220 28.738 -0.001 0.000 1.196 98 Q HN -0.193 nan 8.270 nan 0.000 0.402 99 V N 1.724 121.629 119.914 -0.015 0.000 2.610 99 V HA 0.553 4.674 4.120 0.001 0.000 0.298 99 V C 0.161 176.230 176.094 -0.042 0.000 1.067 99 V CA -0.847 61.428 62.300 -0.042 0.000 0.894 99 V CB 2.050 33.863 31.823 -0.018 0.000 1.015 99 V HN 0.844 nan 8.190 nan 0.000 0.432 100 G N 2.325 111.036 108.800 -0.149 0.000 2.491 100 G HA2 0.826 4.787 3.960 0.001 0.000 0.327 100 G HA3 0.826 4.787 3.960 0.001 0.000 0.327 100 G C -0.227 174.676 174.900 0.005 0.000 1.189 100 G CA -0.293 44.741 45.100 -0.110 0.000 0.956 100 G HN 1.101 nan 8.290 nan 0.000 0.491 101 G N -2.064 106.782 108.800 0.076 0.000 2.660 101 G HA2 0.655 4.616 3.960 0.001 0.000 0.294 101 G HA3 0.655 4.616 3.960 0.001 0.000 0.294 101 G C -1.792 173.109 174.900 0.001 0.000 1.369 101 G CA -0.470 44.632 45.100 0.003 0.000 0.912 101 G HN 1.311 nan 8.290 nan 0.000 0.479 102 V N 0.045 119.926 119.914 -0.055 0.000 2.841 102 V HA 0.804 4.924 4.120 0.001 0.000 0.310 102 V C -0.505 175.394 176.094 -0.326 0.000 1.090 102 V CA -0.237 61.986 62.300 -0.128 0.000 0.930 102 V CB 1.256 33.105 31.823 0.044 0.000 1.014 102 V HN 1.758 nan 8.190 nan 0.000 0.425 103 C N 3.532 122.596 119.300 -0.394 0.000 3.312 103 C HA 0.701 5.162 4.460 0.001 0.000 0.332 103 C C -1.391 173.446 174.990 -0.256 0.000 1.340 103 C CA -1.113 57.701 59.018 -0.339 0.000 1.265 103 C CB 0.887 28.343 27.740 -0.473 0.000 1.563 103 C HN 0.850 nan 8.230 nan 0.000 0.471 104 Y N 1.178 121.447 120.300 -0.051 0.000 2.316 104 Y HA 0.399 4.950 4.550 0.001 0.000 0.331 104 Y C 1.527 177.470 175.900 0.072 0.000 1.083 104 Y CA 0.092 58.196 58.100 0.005 0.000 1.206 104 Y CB 1.318 39.830 38.460 0.086 0.000 1.195 104 Y HN 0.599 nan 8.280 nan 0.000 0.497 105 V N 2.409 122.418 119.914 0.160 0.000 2.295 105 V HA -0.302 3.819 4.120 0.001 0.000 0.246 105 V C 1.904 178.096 176.094 0.164 0.000 1.049 105 V CA 2.324 64.708 62.300 0.139 0.000 1.024 105 V CB -0.405 31.449 31.823 0.051 0.000 0.648 105 V HN 0.923 nan 8.190 nan 0.000 0.447 106 D N 0.493 120.988 120.400 0.158 0.000 2.097 106 D HA -0.189 4.452 4.640 0.001 0.000 0.197 106 D C 2.051 178.432 176.300 0.134 0.000 0.984 106 D CA 1.522 55.591 54.000 0.115 0.000 0.826 106 D CB -0.583 40.273 40.800 0.093 0.000 0.973 106 D HN 0.434 nan 8.370 nan 0.000 0.460 107 L N -1.271 120.073 121.223 0.202 0.000 2.093 107 L HA -0.038 4.303 4.340 0.001 0.000 0.208 107 L C 2.636 179.661 176.870 0.257 0.000 1.085 107 L CA 0.894 55.855 54.840 0.202 0.000 0.755 107 L CB -0.464 41.717 42.059 0.203 0.000 0.904 107 L HN -0.056 nan 8.230 nan 0.000 0.435 108 F N 0.032 120.076 119.950 0.155 0.000 2.387 108 F HA 0.144 4.672 4.527 0.001 0.000 0.294 108 F C 1.802 177.586 175.800 -0.026 0.000 1.093 108 F CA 0.841 58.931 58.000 0.151 0.000 1.420 108 F CB 0.251 39.364 39.000 0.188 0.000 1.086 108 F HN -0.059 nan 8.300 nan 0.000 0.531 109 A N -1.319 121.556 122.820 0.092 0.000 2.622 109 A HA 0.563 4.884 4.320 0.001 0.000 0.283 109 A C 1.358 178.904 177.584 -0.064 0.000 0.998 109 A CA 0.484 52.471 52.037 -0.084 0.000 0.985 109 A CB -0.662 18.359 19.000 0.035 0.000 1.236 109 A HN 0.691 nan 8.150 nan 0.000 0.559 110 G N 0.892 109.679 108.800 -0.022 0.000 4.148 110 G HA2 -0.322 3.639 3.960 0.001 0.000 0.221 110 G HA3 -0.322 3.639 3.960 0.001 0.000 0.221 110 G C 0.096 174.993 174.900 -0.005 0.000 1.373 110 G CA 1.425 46.511 45.100 -0.023 0.000 0.940 110 G HN 1.444 nan 8.290 nan 0.000 0.610 111 D N -1.414 118.980 120.400 -0.011 0.000 2.759 111 D HA 0.557 5.198 4.640 0.001 0.000 0.321 111 D C 1.224 177.520 176.300 -0.006 0.000 1.267 111 D CA -0.273 53.721 54.000 -0.010 0.000 0.933 111 D CB -0.087 40.699 40.800 -0.024 0.000 1.431 111 D HN 0.286 nan 8.370 nan 0.000 0.504 112 L N -0.385 120.827 121.223 -0.017 0.000 2.042 112 L HA -0.111 4.229 4.340 0.001 0.000 0.210 112 L C 2.183 179.047 176.870 -0.011 0.000 1.076 112 L CA 1.345 56.175 54.840 -0.015 0.000 0.749 112 L CB -0.481 41.556 42.059 -0.036 0.000 0.893 112 L HN 0.381 nan 8.230 nan 0.000 0.432 113 K N -0.114 120.274 120.400 -0.021 0.000 2.097 113 K HA -0.103 4.217 4.320 0.001 0.000 0.206 113 K C 2.154 178.735 176.600 -0.031 0.000 1.049 113 K CA 1.236 57.508 56.287 -0.024 0.000 0.933 113 K CB -0.476 32.006 32.500 -0.030 0.000 0.717 113 K HN 0.397 nan 8.250 nan 0.000 0.442 114 G N 1.874 110.651 108.800 -0.038 0.000 2.422 114 G HA2 -0.222 3.739 3.960 0.001 0.000 0.218 114 G HA3 -0.222 3.739 3.960 0.001 0.000 0.218 114 G C 1.365 176.237 174.900 -0.047 0.000 1.146 114 G CA 0.202 45.264 45.100 -0.065 0.000 0.769 114 G HN 0.112 nan 8.290 nan 0.000 0.547 115 L N 0.808 122.039 121.223 0.013 0.000 2.027 115 L HA 0.041 4.382 4.340 0.001 0.000 0.206 115 L C 2.555 179.474 176.870 0.081 0.000 1.074 115 L CA 2.254 57.151 54.840 0.095 0.000 0.745 115 L CB -0.801 41.334 42.059 0.126 0.000 0.898 115 L HN 0.270 nan 8.230 nan 0.000 0.433 116 K N -0.309 120.115 120.400 0.041 0.000 2.103 116 K HA -0.215 4.105 4.320 0.001 0.000 0.207 116 K C 1.515 178.116 176.600 0.001 0.000 1.048 116 K CA 1.826 58.132 56.287 0.032 0.000 0.930 116 K CB 0.030 32.534 32.500 0.007 0.000 0.716 116 K HN 0.363 nan 8.250 nan 0.000 0.444 117 D N 0.349 120.728 120.400 -0.036 0.000 2.269 117 D HA -0.089 4.552 4.640 0.001 0.000 0.208 117 D C 1.356 177.589 176.300 -0.112 0.000 0.963 117 D CA 0.757 54.716 54.000 -0.068 0.000 0.864 117 D CB 0.191 40.939 40.800 -0.087 0.000 0.936 117 D HN 0.104 nan 8.370 nan 0.000 0.505 118 K N 0.504 120.812 120.400 -0.152 0.000 2.459 118 K HA 0.130 4.450 4.320 0.001 0.000 0.193 118 K C 2.023 178.334 176.600 -0.482 0.000 1.030 118 K CA -0.153 55.944 56.287 -0.317 0.000 1.026 118 K CB 0.264 32.553 32.500 -0.351 0.000 0.809 118 K HN 0.282 nan 8.250 nan 0.000 0.504 119 I N 1.575 122.040 120.570 -0.175 0.000 2.248 119 I HA -0.240 3.931 4.170 0.001 0.000 0.248 119 I C -0.871 175.245 176.117 -0.002 0.000 1.107 119 I CA 1.363 62.680 61.300 0.028 0.000 1.373 119 I CB -1.197 36.880 38.000 0.129 0.000 1.055 119 I HN 0.034 nan 8.210 nan 0.000 0.418 120 P HA -0.211 nan 4.420 nan 0.000 0.218 120 P C 1.513 178.829 177.300 0.028 0.000 1.149 120 P CA 1.309 64.418 63.100 0.016 0.000 0.817 120 P CB -0.113 31.594 31.700 0.012 0.000 0.785 121 Y N -0.443 119.768 120.300 -0.147 0.000 2.200 121 Y HA -0.180 4.371 4.550 0.001 0.000 0.290 121 Y C 1.855 177.797 175.900 0.069 0.000 1.137 121 Y CA 1.373 59.423 58.100 -0.084 0.000 1.163 121 Y CB -1.060 37.283 38.460 -0.195 0.000 0.988 121 Y HN -0.177 nan 8.280 nan 0.000 0.518 122 F N 0.801 120.712 119.950 -0.066 0.000 2.171 122 F HA -0.208 4.319 4.527 0.001 0.000 0.300 122 F C 2.408 178.139 175.800 -0.116 0.000 1.090 122 F CA 1.511 59.429 58.000 -0.136 0.000 1.293 122 F CB -1.199 37.806 39.000 0.009 0.000 1.013 122 F HN 0.175 nan 8.300 nan 0.000 0.486 123 Q N -0.210 119.661 119.800 0.118 0.000 2.123 123 Q HA -0.185 4.156 4.340 0.001 0.000 0.199 123 Q C 2.204 178.223 176.000 0.032 0.000 0.966 123 Q CA 1.307 57.156 55.803 0.076 0.000 0.845 123 Q CB -0.379 28.403 28.738 0.074 0.000 0.907 123 Q HN 0.507 nan 8.270 nan 0.000 0.439 124 E N 0.865 121.067 120.200 0.004 0.000 2.085 124 E HA -0.221 4.129 4.350 0.001 0.000 0.194 124 E C 1.911 178.520 176.600 0.015 0.000 0.994 124 E CA 0.826 57.246 56.400 0.033 0.000 0.801 124 E CB 0.041 29.790 29.700 0.081 0.000 0.743 124 E HN 0.207 nan 8.360 nan 0.000 0.453 125 L N -0.224 120.932 121.223 -0.111 0.000 2.141 125 L HA 0.042 4.382 4.340 0.001 0.000 0.209 125 L C 1.441 178.289 176.870 -0.037 0.000 1.094 125 L CA 2.126 56.916 54.840 -0.083 0.000 0.763 125 L CB -0.000 41.947 42.059 -0.186 0.000 0.908 125 L HN 0.360 nan 8.230 nan 0.000 0.437 126 G N -1.321 107.475 108.800 -0.008 0.000 2.138 126 G HA2 -0.193 3.767 3.960 0.001 0.000 0.193 126 G HA3 -0.193 3.767 3.960 0.001 0.000 0.193 126 G C 0.186 175.100 174.900 0.024 0.000 0.998 126 G CA 0.084 45.190 45.100 0.011 0.000 0.668 126 G HN 0.290 nan 8.290 nan 0.000 0.516 127 L N 0.812 122.058 121.223 0.038 0.000 2.461 127 L HA 0.479 4.820 4.340 0.001 0.000 0.272 127 L C 1.718 178.630 176.870 0.072 0.000 1.197 127 L CA 0.970 55.837 54.840 0.045 0.000 0.836 127 L CB 0.907 42.977 42.059 0.018 0.000 1.105 127 L HN 0.412 nan 8.230 nan 0.000 0.477 128 T N -2.130 112.482 114.554 0.097 0.000 3.087 128 T HA 0.144 4.495 4.350 0.001 0.000 0.283 128 T C -0.490 174.337 174.700 0.211 0.000 0.956 128 T CA -0.234 61.943 62.100 0.130 0.000 0.894 128 T CB 0.033 68.976 68.868 0.125 0.000 1.160 128 T HN 0.418 nan 8.240 nan 0.000 0.532 129 Y N 0.828 121.135 120.300 0.011 0.000 2.399 129 Y HA 0.680 5.230 4.550 0.001 0.000 0.327 129 Y C -2.461 173.404 175.900 -0.058 0.000 1.111 129 Y CA -2.300 55.808 58.100 0.013 0.000 1.047 129 Y CB 1.716 40.192 38.460 0.028 0.000 1.259 129 Y HN 0.204 nan 8.280 nan 0.000 0.434 130 L N 7.037 128.263 121.223 0.006 0.000 2.441 130 L HA 0.444 4.784 4.340 0.001 0.000 0.270 130 L C -1.557 175.265 176.870 -0.080 0.000 0.973 130 L CA -0.389 54.402 54.840 -0.082 0.000 0.842 130 L CB 1.269 43.152 42.059 -0.294 0.000 1.239 130 L HN 0.844 nan 8.230 nan 0.000 0.406 131 H N 5.900 124.915 119.070 -0.092 0.000 2.552 131 H HA 0.496 5.053 4.556 0.001 0.000 0.311 131 H C -1.328 173.918 175.328 -0.137 0.000 1.071 131 H CA -0.838 55.156 56.048 -0.090 0.000 1.307 131 H CB 0.969 30.763 29.762 0.055 0.000 1.416 131 H HN 0.601 nan 8.280 nan 0.000 0.464 132 L N 5.992 127.179 121.223 -0.061 0.000 2.282 132 L HA 0.232 4.573 4.340 0.001 0.000 0.288 132 L C 0.205 176.869 176.870 -0.344 0.000 1.033 132 L CA -0.955 53.748 54.840 -0.227 0.000 0.807 132 L CB 1.589 43.583 42.059 -0.109 0.000 1.209 132 L HN 0.624 nan 8.230 nan 0.000 0.423 133 M N 2.755 122.028 119.600 -0.545 0.000 2.219 133 M HA 0.168 4.649 4.480 0.001 0.000 0.307 133 M C -2.029 174.089 176.300 -0.304 0.000 1.116 133 M CA -2.009 52.938 55.300 -0.587 0.000 1.181 133 M CB -0.908 31.089 32.600 -1.005 0.000 1.410 133 M HN 0.189 nan 8.290 nan 0.000 0.454 134 P HA -0.105 nan 4.420 nan 0.000 0.252 134 P C 0.207 177.432 177.300 -0.126 0.000 1.136 134 P CA 0.779 63.739 63.100 -0.234 0.000 0.778 134 P CB -0.038 31.403 31.700 -0.431 0.000 0.722 135 L N 2.013 123.157 121.223 -0.133 0.000 2.556 135 L HA 0.182 4.523 4.340 0.001 0.000 0.226 135 L C 0.881 177.490 176.870 -0.436 0.000 1.089 135 L CA 0.055 54.711 54.840 -0.306 0.000 0.864 135 L CB -0.186 41.587 42.059 -0.476 0.000 1.067 135 L HN 0.239 nan 8.230 nan 0.000 0.477 136 F N 0.385 120.319 119.950 -0.026 0.000 2.368 136 F HA 0.252 4.779 4.527 0.001 0.000 0.315 136 F C 1.021 176.780 175.800 -0.068 0.000 1.145 136 F CA -0.735 57.244 58.000 -0.035 0.000 1.095 136 F CB 0.362 39.345 39.000 -0.030 0.000 1.286 136 F HN -0.248 nan 8.300 nan 0.000 0.530 137 K N 1.353 121.828 120.400 0.125 0.000 2.550 137 K HA 0.167 4.488 4.320 0.001 0.000 0.280 137 K C -0.847 175.736 176.600 -0.028 0.000 0.987 137 K CA 0.135 56.428 56.287 0.010 0.000 1.048 137 K CB -0.177 32.310 32.500 -0.022 0.000 0.879 137 K HN 0.807 nan 8.250 nan 0.000 0.491 138 C N 2.029 121.305 119.300 -0.039 0.000 3.291 138 C HA 0.616 5.077 4.460 0.001 0.000 0.316 138 C C -2.865 172.085 174.990 -0.067 0.000 1.391 138 C CA -2.353 56.639 59.018 -0.043 0.000 1.394 138 C CB 0.839 28.578 27.740 -0.001 0.000 1.744 138 C HN 0.597 nan 8.230 nan 0.000 0.461 139 P HA 0.246 nan 4.420 nan 0.000 0.268 139 P C -0.396 176.830 177.300 -0.124 0.000 1.205 139 P CA 0.525 63.549 63.100 -0.126 0.000 0.771 139 P CB 0.354 31.942 31.700 -0.188 0.000 0.858 140 E N 1.314 121.447 120.200 -0.111 0.000 2.392 140 E HA 0.304 4.655 4.350 0.001 0.000 0.264 140 E C 1.231 177.758 176.600 -0.122 0.000 1.024 140 E CA 0.592 56.933 56.400 -0.099 0.000 0.903 140 E CB 0.148 29.798 29.700 -0.083 0.000 0.963 140 E HN 0.683 nan 8.360 nan 0.000 0.432 141 G N 3.568 112.300 108.800 -0.114 0.000 3.594 141 G HA2 -0.309 3.651 3.960 0.001 0.000 0.285 141 G HA3 -0.309 3.651 3.960 0.001 0.000 0.285 141 G C -0.416 174.399 174.900 -0.142 0.000 1.551 141 G CA -0.130 44.894 45.100 -0.126 0.000 1.061 141 G HN 0.464 nan 8.290 nan 0.000 0.624 142 K N 1.531 121.804 120.400 -0.211 0.000 2.240 142 K HA 0.591 4.911 4.320 0.001 0.000 0.271 142 K C 0.175 176.463 176.600 -0.520 0.000 1.018 142 K CA 0.307 56.439 56.287 -0.259 0.000 0.874 142 K CB 1.510 33.863 32.500 -0.246 0.000 1.098 142 K HN 0.727 nan 8.250 nan 0.000 0.458 143 S N 1.073 116.687 115.700 -0.143 0.000 3.053 143 S HA 0.025 4.496 4.470 0.001 0.000 0.255 143 S C -0.144 174.714 174.600 0.430 0.000 0.976 143 S CA -0.423 57.788 58.200 0.019 0.000 1.159 143 S CB -0.051 63.173 63.200 0.039 0.000 1.110 143 S HN 0.746 nan 8.310 nan 0.000 0.633 144 D N 1.884 122.617 120.400 0.555 0.000 2.705 144 D HA -0.118 4.522 4.640 0.001 0.000 0.240 144 D C 0.975 177.571 176.300 0.494 0.000 1.137 144 D CA 1.513 55.833 54.000 0.532 0.000 0.677 144 D CB -1.704 39.420 40.800 0.540 0.000 1.049 144 D HN 1.490 nan 8.370 nan 0.000 0.427 145 G N -0.462 108.650 108.800 0.520 0.000 2.305 145 G HA2 0.091 4.052 3.960 0.001 0.000 0.287 145 G HA3 0.091 4.052 3.960 0.001 0.000 0.287 145 G C 1.483 176.601 174.900 0.364 0.000 1.036 145 G CA 0.964 46.366 45.100 0.503 0.000 0.887 145 G HN 1.821 nan 8.290 nan 0.000 0.505 146 G N -2.145 106.812 108.800 0.261 0.000 2.195 146 G HA2 -0.323 3.637 3.960 0.001 0.000 0.246 146 G HA3 -0.323 3.637 3.960 0.001 0.000 0.246 146 G C 0.814 175.714 174.900 -0.001 0.000 0.984 146 G CA 0.820 45.973 45.100 0.088 0.000 0.633 146 G HN 0.990 nan 8.290 nan 0.000 0.525 147 Y N 1.225 121.648 120.300 0.205 0.000 2.578 147 Y HA 0.480 5.030 4.550 0.001 0.000 0.297 147 Y C 1.944 177.990 175.900 0.244 0.000 1.176 147 Y CA 0.908 59.125 58.100 0.195 0.000 1.315 147 Y CB 0.475 39.049 38.460 0.190 0.000 1.031 147 Y HN 0.537 nan 8.280 nan 0.000 0.524 148 A N 0.718 123.747 122.820 0.347 0.000 2.540 148 A HA 0.523 4.844 4.320 0.001 0.000 0.340 148 A C -0.557 177.108 177.584 0.135 0.000 1.424 148 A CA -0.479 51.763 52.037 0.342 0.000 0.940 148 A CB -0.404 18.890 19.000 0.491 0.000 1.149 148 A HN 0.014 nan 8.150 nan 0.000 0.505 149 V N 2.451 122.384 119.914 0.031 0.000 2.488 149 V HA 0.138 4.259 4.120 0.001 0.000 0.277 149 V C 1.053 177.062 176.094 -0.141 0.000 1.046 149 V CA 0.458 62.665 62.300 -0.155 0.000 0.986 149 V CB 1.266 32.800 31.823 -0.481 0.000 0.989 149 V HN 0.872 nan 8.190 nan 0.000 0.475 150 S N 2.337 117.939 115.700 -0.163 0.000 2.524 150 S HA 0.170 4.641 4.470 0.001 0.000 0.215 150 S C 0.525 174.845 174.600 -0.467 0.000 0.986 150 S CA 0.311 58.376 58.200 -0.225 0.000 0.911 150 S CB 0.393 63.480 63.200 -0.189 0.000 0.805 150 S HN 0.792 nan 8.310 nan 0.000 0.501 151 S N -0.228 115.239 115.700 -0.388 0.000 2.590 151 S HA 0.377 4.848 4.470 0.001 0.000 0.286 151 S C -0.832 173.575 174.600 -0.321 0.000 1.147 151 S CA -0.571 57.392 58.200 -0.394 0.000 0.963 151 S CB 0.177 63.226 63.200 -0.253 0.000 1.124 151 S HN 0.228 nan 8.310 nan 0.000 0.458 152 Y N 3.430 123.573 120.300 -0.263 0.000 2.529 152 Y HA 0.282 4.833 4.550 0.001 0.000 0.290 152 Y C 2.187 177.597 175.900 -0.816 0.000 1.177 152 Y CA 0.216 58.031 58.100 -0.475 0.000 1.305 152 Y CB 0.249 38.537 38.460 -0.287 0.000 1.047 152 Y HN 0.531 nan 8.280 nan 0.000 0.522 153 R N -1.295 118.978 120.500 -0.378 0.000 2.513 153 R HA 0.102 4.443 4.340 0.001 0.000 0.245 153 R C -0.689 175.731 176.300 0.200 0.000 0.908 153 R CA 0.013 55.934 56.100 -0.298 0.000 1.023 153 R CB 0.617 30.526 30.300 -0.651 0.000 1.338 153 R HN 0.075 nan 8.270 nan 0.000 0.575 154 D N 2.242 122.766 120.400 0.208 0.000 2.313 154 D HA 0.145 4.786 4.640 0.001 0.000 0.239 154 D C -0.059 176.452 176.300 0.351 0.000 1.142 154 D CA -0.074 54.057 54.000 0.219 0.000 0.847 154 D CB 2.264 43.095 40.800 0.052 0.000 1.082 154 D HN -0.226 nan 8.370 nan 0.000 0.480 155 V N 3.189 123.224 119.914 0.201 0.000 2.740 155 V HA -0.080 4.041 4.120 0.001 0.000 0.303 155 V C 1.118 177.175 176.094 -0.061 0.000 1.054 155 V CA -0.450 61.793 62.300 -0.096 0.000 1.106 155 V CB 0.676 32.404 31.823 -0.159 0.000 0.957 155 V HN 0.507 nan 8.190 nan 0.000 0.486 156 N N 7.491 126.123 118.700 -0.112 0.000 2.414 156 N HA 0.007 4.748 4.740 0.001 0.000 0.268 156 N C -1.006 174.469 175.510 -0.058 0.000 1.286 156 N CA -1.350 51.662 53.050 -0.064 0.000 0.896 156 N CB 1.164 39.612 38.487 -0.066 0.000 1.093 156 N HN 0.378 nan 8.380 nan 0.000 0.480 157 P HA -0.200 nan 4.420 nan 0.000 0.217 157 P C 0.744 178.022 177.300 -0.037 0.000 1.148 157 P CA 1.370 64.448 63.100 -0.036 0.000 0.834 157 P CB 0.067 31.748 31.700 -0.031 0.000 0.783 158 A N -0.697 122.102 122.820 -0.036 0.000 2.121 158 A HA -0.057 4.263 4.320 0.001 0.000 0.218 158 A C 2.292 179.858 177.584 -0.031 0.000 1.154 158 A CA 1.023 53.041 52.037 -0.031 0.000 0.679 158 A CB -1.220 17.764 19.000 -0.027 0.000 0.795 158 A HN 0.204 nan 8.150 nan 0.000 0.458 159 L N -2.599 118.599 121.223 -0.041 0.000 2.408 159 L HA 0.390 4.730 4.340 0.001 0.000 0.215 159 L C 1.365 178.204 176.870 -0.050 0.000 1.081 159 L CA 0.476 55.288 54.840 -0.045 0.000 0.840 159 L CB -0.062 41.957 42.059 -0.067 0.000 1.002 159 L HN 0.565 nan 8.230 nan 0.000 0.468 160 G N -0.070 108.699 108.800 -0.052 0.000 2.288 160 G HA2 0.030 3.991 3.960 0.001 0.000 0.227 160 G HA3 0.030 3.991 3.960 0.001 0.000 0.227 160 G C -0.724 174.151 174.900 -0.041 0.000 1.339 160 G CA -0.138 44.936 45.100 -0.044 0.000 1.057 160 G HN 0.054 nan 8.290 nan 0.000 0.470 161 T N -1.927 112.609 114.554 -0.031 0.000 2.926 161 T HA 0.583 4.933 4.350 0.001 0.000 0.289 161 T C 1.241 175.941 174.700 0.001 0.000 1.054 161 T CA 0.234 62.328 62.100 -0.009 0.000 1.015 161 T CB 1.933 70.803 68.868 0.004 0.000 1.167 161 T HN 1.379 nan 8.240 nan 0.000 0.526 162 I N 1.261 121.862 120.570 0.052 0.000 2.700 162 I HA 0.135 4.306 4.170 0.001 0.000 0.261 162 I C 2.080 178.234 176.117 0.062 0.000 1.219 162 I CA 1.576 62.940 61.300 0.106 0.000 1.463 162 I CB -0.852 37.279 38.000 0.219 0.000 1.092 162 I HN 0.898 nan 8.210 nan 0.000 0.452 163 G N -0.338 108.484 108.800 0.037 0.000 2.396 163 G HA2 -0.182 3.779 3.960 0.001 0.000 0.214 163 G HA3 -0.182 3.779 3.960 0.001 0.000 0.214 163 G C 1.391 176.290 174.900 -0.003 0.000 1.166 163 G CA 0.692 45.803 45.100 0.018 0.000 0.793 163 G HN 0.361 nan 8.290 nan 0.000 0.533 164 D N 0.343 120.736 120.400 -0.012 0.000 2.144 164 D HA -0.098 4.543 4.640 0.001 0.000 0.199 164 D C 2.407 178.686 176.300 -0.034 0.000 0.984 164 D CA 0.583 54.569 54.000 -0.024 0.000 0.834 164 D CB -0.183 40.599 40.800 -0.030 0.000 0.955 164 D HN 0.223 nan 8.370 nan 0.000 0.465 165 L N 1.473 122.672 121.223 -0.040 0.000 2.046 165 L HA -0.130 4.211 4.340 0.001 0.000 0.208 165 L C 2.193 179.033 176.870 -0.051 0.000 1.077 165 L CA 1.582 56.390 54.840 -0.054 0.000 0.747 165 L CB -0.294 41.728 42.059 -0.062 0.000 0.896 165 L HN -0.142 nan 8.230 nan 0.000 0.432 166 R N -0.405 120.073 120.500 -0.036 0.000 2.096 166 R HA -0.153 4.188 4.340 0.001 0.000 0.235 166 R C 2.121 178.386 176.300 -0.059 0.000 1.127 166 R CA 1.725 57.796 56.100 -0.049 0.000 0.968 166 R CB -0.343 29.940 30.300 -0.029 0.000 0.861 166 R HN 0.572 nan 8.270 nan 0.000 0.440 167 E N 0.111 120.285 120.200 -0.043 0.000 2.072 167 E HA -0.127 4.224 4.350 0.001 0.000 0.191 167 E C 2.087 178.656 176.600 -0.050 0.000 0.985 167 E CA 1.090 57.467 56.400 -0.039 0.000 0.801 167 E CB 0.039 29.724 29.700 -0.026 0.000 0.750 167 E HN 0.079 nan 8.360 nan 0.000 0.452 168 V N 1.646 121.529 119.914 -0.052 0.000 2.295 168 V HA -0.263 3.858 4.120 0.001 0.000 0.246 168 V C 2.253 178.287 176.094 -0.100 0.000 1.049 168 V CA 1.548 63.819 62.300 -0.049 0.000 1.024 168 V CB -0.367 31.433 31.823 -0.038 0.000 0.648 168 V HN 0.268 nan 8.190 nan 0.000 0.447 169 I N 0.347 120.825 120.570 -0.152 0.000 2.286 169 I HA -0.232 3.939 4.170 0.001 0.000 0.248 169 I C 2.614 178.471 176.117 -0.435 0.000 1.115 169 I CA 1.482 62.599 61.300 -0.305 0.000 1.392 169 I CB -0.564 37.268 38.000 -0.280 0.000 1.065 169 I HN 0.298 nan 8.210 nan 0.000 0.418 170 A N 0.675 123.360 122.820 -0.225 0.000 1.930 170 A HA -0.065 4.256 4.320 0.001 0.000 0.217 170 A C 2.542 180.091 177.584 -0.060 0.000 1.175 170 A CA 1.591 53.554 52.037 -0.123 0.000 0.627 170 A CB -0.677 18.293 19.000 -0.049 0.000 0.815 170 A HN 0.412 nan 8.150 nan 0.000 0.443 171 A N -0.094 122.694 122.820 -0.054 0.000 1.898 171 A HA -0.011 4.310 4.320 0.001 0.000 0.216 171 A C 2.157 179.749 177.584 0.014 0.000 1.181 171 A CA 1.385 53.419 52.037 -0.006 0.000 0.620 171 A CB -0.617 18.384 19.000 0.001 0.000 0.819 171 A HN 0.458 nan 8.150 nan 0.000 0.442 172 L N -1.293 119.915 121.223 -0.025 0.000 2.012 172 L HA -0.275 4.066 4.340 0.001 0.000 0.210 172 L C 2.589 179.514 176.870 0.092 0.000 1.073 172 L CA 1.979 56.829 54.840 0.016 0.000 0.748 172 L CB -0.915 41.111 42.059 -0.055 0.000 0.891 172 L HN 0.558 nan 8.230 nan 0.000 0.431 173 H N -1.188 117.877 119.070 -0.008 0.000 2.387 173 H HA -0.223 4.334 4.556 0.001 0.000 0.299 173 H C 2.235 177.556 175.328 -0.012 0.000 1.099 173 H CA 1.053 57.088 56.048 -0.023 0.000 1.315 173 H CB 0.216 29.954 29.762 -0.040 0.000 1.380 173 H HN 0.267 nan 8.280 nan 0.000 0.513 174 E N 1.196 121.469 120.200 0.123 0.000 2.153 174 E HA -0.090 4.260 4.350 0.001 0.000 0.194 174 E C 1.860 178.496 176.600 0.061 0.000 0.988 174 E CA 0.981 57.422 56.400 0.069 0.000 0.811 174 E CB -0.036 29.692 29.700 0.047 0.000 0.746 174 E HN 0.441 nan 8.360 nan 0.000 0.466 175 A N -0.642 122.223 122.820 0.074 0.000 2.307 175 A HA 0.422 4.743 4.320 0.001 0.000 0.218 175 A C 1.457 179.085 177.584 0.074 0.000 1.228 175 A CA 0.593 52.675 52.037 0.073 0.000 0.857 175 A CB -0.576 18.479 19.000 0.092 0.000 0.897 175 A HN 0.421 nan 8.150 nan 0.000 0.495 176 G N -0.395 108.447 108.800 0.070 0.000 2.212 176 G HA2 -0.202 3.759 3.960 0.001 0.000 0.255 176 G HA3 -0.202 3.759 3.960 0.001 0.000 0.255 176 G C -0.164 174.783 174.900 0.077 0.000 1.062 176 G CA 0.384 45.517 45.100 0.055 0.000 0.815 176 G HN 0.530 nan 8.290 nan 0.000 0.497 177 I N 0.616 121.250 120.570 0.107 0.000 2.436 177 I HA 0.363 4.534 4.170 0.001 0.000 0.289 177 I C 0.435 176.639 176.117 0.145 0.000 1.010 177 I CA -0.808 60.558 61.300 0.111 0.000 1.098 177 I CB 2.063 40.116 38.000 0.089 0.000 1.266 177 I HN 0.066 nan 8.210 nan 0.000 0.434 178 S N 4.075 119.840 115.700 0.108 0.000 2.565 178 S HA 0.510 4.980 4.470 0.001 0.000 0.276 178 S C 0.193 174.776 174.600 -0.028 0.000 1.326 178 S CA -0.613 57.632 58.200 0.076 0.000 1.045 178 S CB 1.237 64.476 63.200 0.065 0.000 0.918 178 S HN 0.682 nan 8.310 nan 0.000 0.505 179 A N 3.214 126.034 122.820 0.000 0.000 2.289 179 A HA 0.617 4.937 4.320 0.001 0.000 0.298 179 A C -0.549 176.960 177.584 -0.125 0.000 1.208 179 A CA -0.559 51.426 52.037 -0.086 0.000 0.845 179 A CB 0.262 19.203 19.000 -0.099 0.000 1.125 179 A HN 0.619 nan 8.150 nan 0.000 0.517 180 V N 4.103 123.913 119.914 -0.174 0.000 2.444 180 V HA 0.598 4.719 4.120 0.001 0.000 0.294 180 V C 0.015 176.109 176.094 0.001 0.000 1.022 180 V CA -0.411 61.776 62.300 -0.189 0.000 0.850 180 V CB 1.130 32.673 31.823 -0.466 0.000 0.992 180 V HN 1.067 nan 8.190 nan 0.000 0.426 181 V N 0.853 120.780 119.914 0.022 0.000 3.102 181 V HA 0.741 4.861 4.120 0.001 0.000 0.312 181 V C -0.762 175.403 176.094 0.118 0.000 1.135 181 V CA -1.047 61.335 62.300 0.136 0.000 1.022 181 V CB 2.285 34.204 31.823 0.159 0.000 1.056 181 V HN 0.707 nan 8.190 nan 0.000 0.436 182 D N 1.518 122.039 120.400 0.202 0.000 2.345 182 D HA 0.457 5.097 4.640 0.001 0.000 0.247 182 D C -1.059 175.400 176.300 0.265 0.000 1.108 182 D CA 0.342 54.469 54.000 0.213 0.000 0.894 182 D CB 1.157 42.084 40.800 0.213 0.000 1.203 182 D HN 0.606 nan 8.370 nan 0.000 0.430 183 F N 2.874 122.843 119.950 0.031 0.000 2.359 183 F HA 0.388 4.916 4.527 0.001 0.000 0.370 183 F C -0.743 175.116 175.800 0.098 0.000 1.077 183 F CA -1.057 56.920 58.000 -0.040 0.000 1.136 183 F CB 0.245 39.047 39.000 -0.329 0.000 1.387 183 F HN 0.294 nan 8.300 nan 0.000 0.468 184 I N 7.633 128.197 120.570 -0.011 0.000 2.213 184 I HA -0.003 4.168 4.170 0.001 0.000 0.295 184 I C 0.496 176.565 176.117 -0.079 0.000 1.172 184 I CA -0.114 61.204 61.300 0.030 0.000 1.443 184 I CB -0.425 37.623 38.000 0.080 0.000 1.491 184 I HN 0.493 nan 8.210 nan 0.000 0.652 185 F N 2.270 121.903 119.950 -0.529 0.000 2.765 185 F HA 0.195 4.723 4.527 0.001 0.000 0.302 185 F C 1.463 177.279 175.800 0.028 0.000 1.111 185 F CA -0.203 57.528 58.000 -0.448 0.000 1.359 185 F CB -0.877 37.672 39.000 -0.751 0.000 1.097 185 F HN 0.346 nan 8.300 nan 0.000 0.577 186 N N 0.328 118.859 118.700 -0.280 0.000 2.392 186 N HA -0.062 4.678 4.740 0.001 0.000 0.177 186 N C -0.375 175.247 175.510 0.187 0.000 1.066 186 N CA 0.585 53.590 53.050 -0.074 0.000 0.895 186 N CB 0.175 38.697 38.487 0.059 0.000 0.988 186 N HN 0.589 nan 8.380 nan 0.000 0.457 187 H N -2.160 117.041 119.070 0.218 0.000 3.003 187 H HA 0.247 4.804 4.556 0.001 0.000 0.327 187 H C -1.162 174.334 175.328 0.279 0.000 1.353 187 H CA -0.686 55.543 56.048 0.302 0.000 1.142 187 H CB 0.946 30.915 29.762 0.346 0.000 1.864 187 H HN -0.015 nan 8.280 nan 0.000 0.529 188 T N -1.471 113.342 114.554 0.431 0.000 2.888 188 T HA 0.509 4.859 4.350 0.001 0.000 0.288 188 T C 0.326 175.154 174.700 0.213 0.000 1.063 188 T CA -0.344 61.878 62.100 0.203 0.000 1.010 188 T CB 1.519 70.405 68.868 0.029 0.000 1.214 188 T HN 0.849 nan 8.240 nan 0.000 0.533 189 S N 0.973 116.726 115.700 0.088 0.000 2.600 189 S HA 0.155 4.626 4.470 0.001 0.000 0.265 189 S C 1.101 175.549 174.600 -0.254 0.000 1.325 189 S CA -0.326 57.899 58.200 0.043 0.000 1.002 189 S CB 0.124 63.339 63.200 0.024 0.000 0.921 189 S HN 0.902 nan 8.310 nan 0.000 0.554 190 N N 0.210 118.644 118.700 -0.443 0.000 2.521 190 N HA -0.048 4.693 4.740 0.001 0.000 0.188 190 N C 0.508 175.645 175.510 -0.620 0.000 1.146 190 N CA 0.438 52.850 53.050 -1.063 0.000 0.893 190 N CB -0.413 37.544 38.487 -0.884 0.000 0.975 190 N HN 0.835 nan 8.380 nan 0.000 0.451 191 E N -0.889 119.114 120.200 -0.329 0.000 2.498 191 E HA 0.023 4.373 4.350 0.001 0.000 0.203 191 E C -0.509 175.963 176.600 -0.213 0.000 1.013 191 E CA -0.291 55.967 56.400 -0.236 0.000 0.927 191 E CB 0.153 29.752 29.700 -0.170 0.000 1.012 191 E HN 0.507 nan 8.360 nan 0.000 0.482 192 H N 1.043 119.935 119.070 -0.297 0.000 2.790 192 H HA -0.014 4.543 4.556 0.001 0.000 0.358 192 H C 1.417 176.592 175.328 -0.254 0.000 1.103 192 H CA 0.471 56.348 56.048 -0.285 0.000 1.426 192 H CB 0.928 30.524 29.762 -0.277 0.000 1.424 192 H HN 0.005 nan 8.280 nan 0.000 0.599 193 E N 3.458 123.466 120.200 -0.321 0.000 2.097 193 E HA -0.234 4.117 4.350 0.001 0.000 0.196 193 E C 1.030 177.595 176.600 -0.058 0.000 1.000 193 E CA 1.599 57.896 56.400 -0.171 0.000 0.804 193 E CB -0.024 29.557 29.700 -0.199 0.000 0.740 193 E HN 0.741 nan 8.360 nan 0.000 0.454 194 W N 0.414 121.699 121.300 -0.025 0.000 2.335 194 W HA -0.101 4.559 4.660 0.001 0.000 0.311 194 W C 2.569 179.073 176.519 -0.025 0.000 1.213 194 W CA 1.009 58.157 57.345 -0.328 0.000 1.274 194 W CB -1.432 28.145 29.460 0.195 0.000 1.148 194 W HN 0.237 nan 8.180 nan 0.000 0.498 195 A N 0.173 123.144 122.820 0.253 0.000 1.877 195 A HA -0.250 4.071 4.320 0.001 0.000 0.216 195 A C 2.022 179.523 177.584 -0.137 0.000 1.186 195 A CA 1.976 53.868 52.037 -0.243 0.000 0.620 195 A CB -0.945 17.607 19.000 -0.747 0.000 0.822 195 A HN 0.419 nan 8.150 nan 0.000 0.443 196 Q N -0.708 119.001 119.800 -0.152 0.000 2.020 196 Q HA -0.179 4.162 4.340 0.001 0.000 0.202 196 Q C 2.380 178.357 176.000 -0.038 0.000 0.982 196 Q CA 1.728 57.469 55.803 -0.104 0.000 0.838 196 Q CB -0.207 28.456 28.738 -0.124 0.000 0.899 196 Q HN 0.628 nan 8.270 nan 0.000 0.423 197 R N -0.198 120.246 120.500 -0.093 0.000 2.115 197 R HA -0.097 4.244 4.340 0.001 0.000 0.230 197 R C 2.570 178.910 176.300 0.068 0.000 1.111 197 R CA 1.138 57.198 56.100 -0.066 0.000 0.976 197 R CB -0.573 29.576 30.300 -0.251 0.000 0.870 197 R HN 0.345 nan 8.270 nan 0.000 0.445 198 C N 0.565 119.949 119.300 0.140 0.000 2.446 198 C HA 0.051 4.511 4.460 0.001 0.000 0.277 198 C C 2.856 177.977 174.990 0.219 0.000 1.275 198 C CA 0.995 60.179 59.018 0.276 0.000 1.727 198 C CB -0.810 27.235 27.740 0.508 0.000 2.010 198 C HN 0.550 nan 8.230 nan 0.000 0.486 199 A N 0.020 122.967 122.820 0.213 0.000 2.014 199 A HA 0.281 4.602 4.320 0.001 0.000 0.218 199 A C 2.304 179.961 177.584 0.121 0.000 1.163 199 A CA 1.674 53.827 52.037 0.193 0.000 0.652 199 A CB -0.835 18.341 19.000 0.293 0.000 0.808 199 A HN 0.885 nan 8.150 nan 0.000 0.449 200 A N -1.809 121.068 122.820 0.095 0.000 2.208 200 A HA 0.403 4.724 4.320 0.001 0.000 0.209 200 A C 1.752 179.375 177.584 0.065 0.000 1.161 200 A CA 1.246 53.322 52.037 0.064 0.000 0.782 200 A CB -0.740 18.284 19.000 0.040 0.000 0.816 200 A HN 1.808 nan 8.150 nan 0.000 0.477 201 G N -0.474 108.377 108.800 0.084 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 -0.124 174.821 174.900 0.076 0.000 0.984 201 G CA 0.175 45.322 45.100 0.077 0.000 0.660 201 G HN 0.559 nan 8.290 nan 0.000 0.525 202 D N 1.299 121.754 120.400 0.091 0.000 2.412 202 D HA 0.203 4.843 4.640 0.001 0.000 0.257 202 D C 0.215 176.568 176.300 0.089 0.000 1.217 202 D CA -1.025 53.032 54.000 0.095 0.000 0.897 202 D CB 1.278 42.162 40.800 0.139 0.000 1.132 202 D HN 0.229 nan 8.370 nan 0.000 0.493 203 P HA -0.187 nan 4.420 nan 0.000 0.219 203 P C 1.595 178.857 177.300 -0.063 0.000 1.146 203 P CA 0.288 63.390 63.100 0.003 0.000 0.808 203 P CB 0.394 32.088 31.700 -0.010 0.000 0.779 204 L N -1.515 119.652 121.223 -0.094 0.000 2.201 204 L HA 0.062 4.402 4.340 0.001 0.000 0.212 204 L C 1.422 177.915 176.870 -0.629 0.000 1.105 204 L CA 1.588 56.238 54.840 -0.316 0.000 0.775 204 L CB -1.104 40.803 42.059 -0.253 0.000 0.913 204 L HN -0.201 nan 8.230 nan 0.000 0.440 205 F N -1.035 118.768 119.950 -0.245 0.000 2.791 205 F HA 0.261 4.788 4.527 0.001 0.000 0.308 205 F C 0.478 176.259 175.800 -0.032 0.000 1.138 205 F CA -1.194 56.568 58.000 -0.395 0.000 1.294 205 F CB -0.131 38.611 39.000 -0.430 0.000 0.975 205 F HN -0.027 nan 8.300 nan 0.000 0.512 206 D N 0.225 120.695 120.400 0.117 0.000 2.382 206 D HA 0.048 4.688 4.640 0.001 0.000 0.245 206 D C 0.843 177.279 176.300 0.225 0.000 1.120 206 D CA 0.726 54.823 54.000 0.162 0.000 0.890 206 D CB 0.453 41.307 40.800 0.090 0.000 1.201 206 D HN 0.104 nan 8.370 nan 0.000 0.433 207 N N 2.132 120.942 118.700 0.185 0.000 2.747 207 N HA -0.240 4.501 4.740 0.001 0.000 0.249 207 N C -0.339 175.212 175.510 0.069 0.000 1.107 207 N CA 0.401 53.505 53.050 0.090 0.000 0.707 207 N CB -1.456 37.062 38.487 0.051 0.000 1.054 207 N HN 0.393 nan 8.380 nan 0.000 0.555 208 F N -0.971 118.967 119.950 -0.019 0.000 2.619 208 F HA 0.290 4.818 4.527 0.001 0.000 0.293 208 F C 0.598 176.093 175.800 -0.508 0.000 1.119 208 F CA 0.653 58.540 58.000 -0.189 0.000 1.445 208 F CB 0.163 39.179 39.000 0.027 0.000 1.119 208 F HN 0.115 nan 8.300 nan 0.000 0.573 209 Y N -3.036 117.316 120.300 0.088 0.000 2.790 209 Y HA 0.416 4.967 4.550 0.001 0.000 0.323 209 Y C -1.182 174.598 175.900 -0.201 0.000 1.230 209 Y CA -1.817 56.295 58.100 0.021 0.000 1.121 209 Y CB 0.455 39.089 38.460 0.290 0.000 1.328 209 Y HN -0.336 nan 8.280 nan 0.000 0.514 210 Y N 1.741 122.166 120.300 0.207 0.000 2.593 210 Y HA 0.546 5.097 4.550 0.001 0.000 0.331 210 Y C -0.602 175.200 175.900 -0.163 0.000 0.986 210 Y CA -0.442 57.671 58.100 0.023 0.000 1.262 210 Y CB 0.363 39.006 38.460 0.305 0.000 1.098 210 Y HN 0.150 nan 8.280 nan 0.000 0.506 211 I N 4.077 124.476 120.570 -0.285 0.000 2.433 211 I HA 0.443 4.613 4.170 0.001 0.000 0.292 211 I C -0.902 174.901 176.117 -0.522 0.000 1.001 211 I CA -0.743 60.397 61.300 -0.267 0.000 1.119 211 I CB 1.408 39.352 38.000 -0.094 0.000 1.289 211 I HN 0.288 nan 8.210 nan 0.000 0.438 212 F N 5.840 125.912 119.950 0.204 0.000 2.538 212 F HA 0.468 4.996 4.527 0.001 0.000 0.325 212 F C -1.567 174.325 175.800 0.155 0.000 1.066 212 F CA -1.909 56.189 58.000 0.163 0.000 0.946 212 F CB 1.014 40.079 39.000 0.108 0.000 1.199 212 F HN 0.288 nan 8.300 nan 0.000 0.473 213 P HA -0.006 nan 4.420 nan 0.000 0.225 213 P C -0.715 176.729 177.300 0.240 0.000 1.156 213 P CA 1.241 64.464 63.100 0.206 0.000 0.787 213 P CB 0.342 32.129 31.700 0.145 0.000 0.802 214 D N -3.088 117.459 120.400 0.246 0.000 3.103 214 D HA 0.194 4.835 4.640 0.001 0.000 0.337 214 D C 0.708 176.936 176.300 -0.121 0.000 1.356 214 D CA -0.719 53.390 54.000 0.182 0.000 0.951 214 D CB 0.025 40.867 40.800 0.070 0.000 1.438 214 D HN -0.416 nan 8.370 nan 0.000 0.562 215 R N -0.271 120.022 120.500 -0.346 0.000 2.313 215 R HA 0.186 4.527 4.340 0.001 0.000 0.199 215 R C 1.793 177.793 176.300 -0.500 0.000 0.958 215 R CA 0.141 55.848 56.100 -0.656 0.000 1.047 215 R CB -0.561 29.349 30.300 -0.651 0.000 0.955 215 R HN 0.498 nan 8.270 nan 0.000 0.481 216 R N 0.465 120.767 120.500 -0.330 0.000 2.097 216 R HA -0.111 4.230 4.340 0.001 0.000 0.236 216 R C 1.929 177.980 176.300 -0.416 0.000 1.135 216 R CA 1.611 57.535 56.100 -0.294 0.000 0.934 216 R CB -0.009 30.184 30.300 -0.179 0.000 0.846 216 R HN 0.026 nan 8.270 nan 0.000 0.431 217 M N -0.360 118.939 119.600 -0.502 0.000 2.077 217 M HA -0.054 4.427 4.480 0.001 0.000 0.261 217 M C -0.629 175.113 176.300 -0.931 0.000 1.070 217 M CA 1.531 56.395 55.300 -0.727 0.000 1.125 217 M CB -1.556 30.507 32.600 -0.895 0.000 1.339 217 M HN 0.050 nan 8.290 nan 0.000 0.409 218 P HA -0.153 nan 4.420 nan 0.000 0.215 218 P C 0.843 177.624 177.300 -0.866 0.000 1.157 218 P CA 1.448 63.565 63.100 -1.639 0.000 0.874 218 P CB -0.117 30.601 31.700 -1.637 0.000 0.790 219 D N -1.105 118.901 120.400 -0.657 0.000 2.123 219 D HA -0.168 4.472 4.640 0.001 0.000 0.196 219 D C 2.112 178.212 176.300 -0.335 0.000 0.992 219 D CA 1.158 54.903 54.000 -0.424 0.000 0.833 219 D CB -0.573 40.011 40.800 -0.360 0.000 0.954 219 D HN 0.301 nan 8.370 nan 0.000 0.455 220 Q N -0.957 118.606 119.800 -0.395 0.000 2.079 220 Q HA -0.150 4.191 4.340 0.001 0.000 0.200 220 Q C 2.002 177.829 176.000 -0.288 0.000 0.974 220 Q CA 0.924 56.519 55.803 -0.346 0.000 0.840 220 Q CB -0.126 28.353 28.738 -0.431 0.000 0.898 220 Q HN 0.395 nan 8.270 nan 0.000 0.430 221 Y N 1.263 121.383 120.300 -0.299 0.000 2.145 221 Y HA -0.201 4.350 4.550 0.001 0.000 0.286 221 Y C 1.951 177.781 175.900 -0.117 0.000 1.145 221 Y CA 1.180 59.171 58.100 -0.182 0.000 1.148 221 Y CB -0.271 38.036 38.460 -0.254 0.000 0.981 221 Y HN 0.107 nan 8.280 nan 0.000 0.507 222 D N -0.317 120.087 120.400 0.008 0.000 2.271 222 D HA -0.151 4.490 4.640 0.001 0.000 0.207 222 D C 2.034 178.319 176.300 -0.025 0.000 0.983 222 D CA 0.882 54.876 54.000 -0.011 0.000 0.878 222 D CB -0.231 40.527 40.800 -0.070 0.000 0.920 222 D HN 0.325 nan 8.370 nan 0.000 0.479 223 R N -0.524 119.949 120.500 -0.045 0.000 2.152 223 R HA -0.074 4.266 4.340 0.001 0.000 0.232 223 R C 1.649 177.944 176.300 -0.008 0.000 1.117 223 R CA 1.598 57.673 56.100 -0.041 0.000 0.981 223 R CB -0.089 30.174 30.300 -0.061 0.000 0.870 223 R HN 0.276 nan 8.270 nan 0.000 0.451 224 T N -3.251 111.318 114.554 0.025 0.000 3.091 224 T HA 0.308 4.659 4.350 0.001 0.000 0.277 224 T C 0.438 175.175 174.700 0.060 0.000 0.996 224 T CA -0.359 61.766 62.100 0.042 0.000 0.897 224 T CB 0.251 69.153 68.868 0.058 0.000 1.109 224 T HN -0.098 nan 8.240 nan 0.000 0.534 225 L N 2.173 123.432 121.223 0.060 0.000 2.350 225 L HA 0.546 4.887 4.340 0.001 0.000 0.275 225 L C 0.568 177.453 176.870 0.023 0.000 1.099 225 L CA -1.091 53.785 54.840 0.060 0.000 0.808 225 L CB 1.216 43.303 42.059 0.047 0.000 1.149 225 L HN 0.175 nan 8.230 nan 0.000 0.442 226 R N 2.263 122.781 120.500 0.031 0.000 2.410 226 R HA 0.225 4.566 4.340 0.001 0.000 0.288 226 R C -0.640 175.632 176.300 -0.047 0.000 1.051 226 R CA -0.471 55.632 56.100 0.004 0.000 1.021 226 R CB 0.806 31.125 30.300 0.032 0.000 1.032 226 R HN 0.564 nan 8.270 nan 0.000 0.481 227 E N 4.859 125.008 120.200 -0.086 0.000 2.167 227 E HA 0.097 4.447 4.350 0.001 0.000 0.284 227 E C 0.539 177.013 176.600 -0.210 0.000 1.016 227 E CA -0.598 55.706 56.400 -0.160 0.000 0.817 227 E CB 1.234 30.845 29.700 -0.149 0.000 1.080 227 E HN 0.528 nan 8.360 nan 0.000 0.397 228 I N 1.751 122.112 120.570 -0.349 0.000 2.339 228 I HA -0.072 4.098 4.170 0.001 0.000 0.245 228 I C 0.744 176.600 176.117 -0.435 0.000 1.096 228 I CA 1.075 62.091 61.300 -0.472 0.000 1.408 228 I CB -0.211 37.309 38.000 -0.800 0.000 1.092 228 I HN 0.439 nan 8.210 nan 0.000 0.423 229 F N 2.778 122.586 119.950 -0.236 0.000 2.449 229 F HA 0.376 4.903 4.527 0.001 0.000 0.329 229 F C -1.450 174.155 175.800 -0.325 0.000 1.245 229 F CA -3.283 54.561 58.000 -0.259 0.000 1.193 229 F CB -0.232 38.676 39.000 -0.153 0.000 1.425 229 F HN -0.042 nan 8.300 nan 0.000 0.544 230 P HA -0.165 nan 4.420 nan 0.000 0.221 230 P C 0.783 178.023 177.300 -0.099 0.000 1.145 230 P CA 1.305 64.311 63.100 -0.157 0.000 0.795 230 P CB 0.529 32.140 31.700 -0.147 0.000 0.775 231 D N -0.523 119.833 120.400 -0.073 0.000 2.144 231 D HA -0.142 4.499 4.640 0.001 0.000 0.199 231 D C 2.259 178.570 176.300 0.017 0.000 0.984 231 D CA 1.096 55.081 54.000 -0.025 0.000 0.834 231 D CB -0.284 40.497 40.800 -0.031 0.000 0.955 231 D HN 0.180 nan 8.370 nan 0.000 0.465 232 Q N -0.371 119.437 119.800 0.013 0.000 2.089 232 Q HA 0.025 4.366 4.340 0.001 0.000 0.195 232 Q C 0.471 176.563 176.000 0.153 0.000 0.963 232 Q CA 1.160 57.016 55.803 0.089 0.000 0.834 232 Q CB 0.035 28.854 28.738 0.135 0.000 0.906 232 Q HN 0.604 nan 8.270 nan 0.000 0.452 233 H N -3.171 115.945 119.070 0.076 0.000 3.024 233 H HA 0.482 5.038 4.556 0.001 0.000 0.324 233 H C -2.969 172.383 175.328 0.040 0.000 1.347 233 H CA -1.928 54.163 56.048 0.073 0.000 1.182 233 H CB 0.630 30.448 29.762 0.094 0.000 1.889 233 H HN -0.236 nan 8.280 nan 0.000 0.528 234 P HA 0.369 nan 4.420 nan 0.000 0.279 234 P C 0.739 178.153 177.300 0.189 0.000 1.252 234 P CA 0.997 64.156 63.100 0.097 0.000 0.811 234 P CB 1.251 32.994 31.700 0.071 0.000 1.035 235 G N 1.490 110.325 108.800 0.059 0.000 2.574 235 G HA2 -0.169 3.792 3.960 0.001 0.000 0.282 235 G HA3 -0.169 3.792 3.960 0.001 0.000 0.282 235 G C 0.534 175.479 174.900 0.074 0.000 1.257 235 G CA 0.068 45.200 45.100 0.054 0.000 0.956 235 G HN 0.830 nan 8.290 nan 0.000 0.560 236 G N -1.420 107.336 108.800 -0.073 0.000 3.993 236 G HA2 0.593 4.553 3.960 0.001 0.000 0.294 236 G HA3 0.593 4.553 3.960 0.001 0.000 0.294 236 G C -0.308 174.027 174.900 -0.941 0.000 1.043 236 G CA -0.028 44.819 45.100 -0.422 0.000 0.839 236 G HN 0.520 nan 8.290 nan 0.000 0.516 237 F N -0.017 119.781 119.950 -0.254 0.000 2.588 237 F HA 0.729 5.257 4.527 0.001 0.000 0.314 237 F C 0.161 175.921 175.800 -0.066 0.000 1.069 237 F CA -0.962 56.934 58.000 -0.172 0.000 0.931 237 F CB 2.407 41.333 39.000 -0.123 0.000 1.260 237 F HN -0.143 nan 8.300 nan 0.000 0.465 238 S N 0.477 116.286 115.700 0.182 0.000 2.548 238 S HA 0.423 4.893 4.470 0.001 0.000 0.286 238 S C -1.218 173.313 174.600 -0.115 0.000 1.098 238 S CA -0.816 57.405 58.200 0.034 0.000 0.930 238 S CB 2.096 65.220 63.200 -0.126 0.000 1.070 238 S HN 0.625 nan 8.310 nan 0.000 0.480 239 Q N 2.343 121.757 119.800 -0.644 0.000 2.243 239 Q HA 0.553 4.894 4.340 0.001 0.000 0.252 239 Q C -1.018 174.670 176.000 -0.521 0.000 0.909 239 Q CA -0.544 54.567 55.803 -1.154 0.000 0.922 239 Q CB 0.590 28.191 28.738 -1.895 0.000 1.215 239 Q HN 0.601 nan 8.270 nan 0.000 0.427 240 L N 2.508 123.484 121.223 -0.412 0.000 2.469 240 L HA 0.196 4.537 4.340 0.001 0.000 0.253 240 L C 1.316 178.091 176.870 -0.158 0.000 1.143 240 L CA -0.386 54.348 54.840 -0.177 0.000 0.804 240 L CB 0.436 42.430 42.059 -0.108 0.000 1.214 240 L HN 0.821 nan 8.230 nan 0.000 0.476 241 E N 0.530 120.695 120.200 -0.060 0.000 2.153 241 E HA -0.217 4.134 4.350 0.001 0.000 0.194 241 E C 0.886 177.456 176.600 -0.051 0.000 0.988 241 E CA 1.465 57.837 56.400 -0.048 0.000 0.811 241 E CB 0.003 29.698 29.700 -0.008 0.000 0.746 241 E HN 0.732 nan 8.360 nan 0.000 0.466 242 D N -1.116 119.259 120.400 -0.041 0.000 2.352 242 D HA 0.013 4.654 4.640 0.001 0.000 0.232 242 D C 1.222 177.496 176.300 -0.043 0.000 1.055 242 D CA 0.786 54.771 54.000 -0.026 0.000 0.891 242 D CB 0.236 41.035 40.800 -0.002 0.000 0.897 242 D HN 0.219 nan 8.370 nan 0.000 0.529 243 G N -0.132 108.605 108.800 -0.106 0.000 2.268 243 G HA2 -0.331 3.630 3.960 0.001 0.000 0.240 243 G HA3 -0.331 3.630 3.960 0.001 0.000 0.240 243 G C 0.542 175.344 174.900 -0.164 0.000 1.010 243 G CA -0.026 44.999 45.100 -0.125 0.000 0.618 243 G HN 0.475 nan 8.290 nan 0.000 0.516 244 R N -0.829 119.608 120.500 -0.105 0.000 2.774 244 R HA 0.439 4.780 4.340 0.001 0.000 0.269 244 R C -0.443 175.760 176.300 -0.162 0.000 1.068 244 R CA 0.157 56.253 56.100 -0.006 0.000 1.180 244 R CB 0.333 30.648 30.300 0.025 0.000 1.077 244 R HN 0.267 nan 8.270 nan 0.000 0.513 245 W N 0.272 121.606 121.300 0.057 0.000 2.632 245 W HA 0.492 5.152 4.660 0.001 0.000 0.328 245 W C -0.718 175.885 176.519 0.141 0.000 1.044 245 W CA -0.536 56.856 57.345 0.080 0.000 1.225 245 W CB 1.545 31.054 29.460 0.080 0.000 1.396 245 W HN 0.148 nan 8.180 nan 0.000 0.499 246 V N 4.144 124.193 119.914 0.226 0.000 2.680 246 V HA 0.470 4.591 4.120 0.001 0.000 0.309 246 V C -0.931 175.316 176.094 0.255 0.000 1.052 246 V CA -1.000 61.335 62.300 0.059 0.000 0.908 246 V CB 1.477 32.872 31.823 -0.713 0.000 1.001 246 V HN 0.622 nan 8.190 nan 0.000 0.431 247 W N 5.754 127.160 121.300 0.177 0.000 2.469 247 W HA 0.355 5.016 4.660 0.001 0.000 0.321 247 W C 0.028 176.412 176.519 -0.225 0.000 1.415 247 W CA 0.467 57.682 57.345 -0.217 0.000 1.308 247 W CB 0.848 30.215 29.460 -0.155 0.000 1.368 247 W HN 0.777 nan 8.180 nan 0.000 0.546 248 T N 1.816 116.334 114.554 -0.061 0.000 3.226 248 T HA 0.136 4.487 4.350 0.001 0.000 0.378 248 T C 0.828 175.483 174.700 -0.075 0.000 1.380 248 T CA -0.481 61.618 62.100 -0.001 0.000 1.396 248 T CB 0.780 69.597 68.868 -0.086 0.000 1.044 248 T HN 0.268 nan 8.240 nan 0.000 0.586 249 T N 2.311 116.786 114.554 -0.132 0.000 2.699 249 T HA 0.024 4.375 4.350 0.001 0.000 0.268 249 T C 0.492 174.711 174.700 -0.802 0.000 1.036 249 T CA 1.683 63.454 62.100 -0.549 0.000 1.147 249 T CB -0.333 67.920 68.868 -1.026 0.000 0.862 249 T HN 0.578 nan 8.240 nan 0.000 0.446 250 F N 0.383 120.187 119.950 -0.243 0.000 2.812 250 F HA 0.362 4.889 4.527 0.001 0.000 0.169 250 F C 1.334 177.198 175.800 0.107 0.000 1.243 250 F CA -1.068 56.797 58.000 -0.226 0.000 0.926 250 F CB -0.491 38.314 39.000 -0.325 0.000 2.170 250 F HN -0.186 nan 8.300 nan 0.000 0.587 251 N N 0.356 119.210 118.700 0.258 0.000 2.415 251 N HA -0.001 4.740 4.740 0.001 0.000 0.248 251 N C 0.839 176.250 175.510 -0.165 0.000 1.271 251 N CA 0.253 53.226 53.050 -0.128 0.000 0.913 251 N CB 1.108 38.970 38.487 -1.042 0.000 1.129 251 N HN 0.265 nan 8.380 nan 0.000 0.444 252 S N 0.453 116.109 115.700 -0.074 0.000 2.442 252 S HA -0.129 4.342 4.470 0.001 0.000 0.236 252 S C 1.210 175.948 174.600 0.229 0.000 1.007 252 S CA 0.969 59.205 58.200 0.061 0.000 0.965 252 S CB -0.306 62.971 63.200 0.128 0.000 0.773 252 S HN 0.622 nan 8.310 nan 0.000 0.504 253 F N 0.987 121.107 119.950 0.283 0.000 2.692 253 F HA 0.470 4.997 4.527 0.001 0.000 0.303 253 F C 0.269 176.186 175.800 0.195 0.000 1.114 253 F CA -0.702 57.424 58.000 0.210 0.000 1.361 253 F CB -0.597 38.477 39.000 0.122 0.000 1.063 253 F HN -0.019 nan 8.300 nan 0.000 0.550 254 Q N 1.039 120.982 119.800 0.239 0.000 2.339 254 Q HA 0.229 4.570 4.340 0.001 0.000 0.268 254 Q C -1.649 174.679 176.000 0.546 0.000 1.027 254 Q CA -0.614 55.382 55.803 0.322 0.000 0.759 254 Q CB 1.208 30.022 28.738 0.127 0.000 1.244 254 Q HN 0.224 nan 8.270 nan 0.000 0.464 255 W N 2.095 123.566 121.300 0.284 0.000 2.335 255 W HA 0.272 4.932 4.660 0.001 0.000 0.307 255 W C -0.358 176.483 176.519 0.537 0.000 1.117 255 W CA -1.442 56.112 57.345 0.349 0.000 1.228 255 W CB 0.498 30.081 29.460 0.205 0.000 1.240 255 W HN 0.487 nan 8.180 nan 0.000 0.468 256 D N 2.511 123.286 120.400 0.625 0.000 2.450 256 D HA 0.107 4.747 4.640 0.001 0.000 0.247 256 D C 0.273 176.833 176.300 0.434 0.000 1.162 256 D CA 0.311 54.586 54.000 0.459 0.000 0.879 256 D CB 0.666 41.550 40.800 0.139 0.000 1.163 256 D HN 0.066 nan 8.370 nan 0.000 0.472 257 L N 2.465 123.812 121.223 0.208 0.000 2.439 257 L HA 0.127 4.467 4.340 0.001 0.000 0.269 257 L C 1.014 177.743 176.870 -0.235 0.000 1.179 257 L CA -0.111 54.604 54.840 -0.208 0.000 0.828 257 L CB 0.401 42.291 42.059 -0.283 0.000 1.106 257 L HN 0.411 nan 8.230 nan 0.000 0.467 258 N N 1.247 119.596 118.700 -0.584 0.000 2.719 258 N HA 0.079 4.819 4.740 0.001 0.000 0.243 258 N C 0.135 175.372 175.510 -0.454 0.000 1.104 258 N CA -0.356 52.241 53.050 -0.755 0.000 0.981 258 N CB 0.308 38.172 38.487 -1.038 0.000 1.290 258 N HN 0.482 nan 8.380 nan 0.000 0.513 259 Y N 0.871 121.142 120.300 -0.048 0.000 2.632 259 Y HA -0.111 4.439 4.550 0.001 0.000 0.301 259 Y C 2.403 178.508 175.900 0.341 0.000 1.172 259 Y CA 0.439 58.649 58.100 0.183 0.000 1.328 259 Y CB 0.100 38.773 38.460 0.355 0.000 1.016 259 Y HN 0.580 nan 8.280 nan 0.000 0.529 260 S N -0.988 114.806 115.700 0.158 0.000 2.607 260 S HA -0.051 4.420 4.470 0.001 0.000 0.224 260 S C 0.612 175.387 174.600 0.292 0.000 0.969 260 S CA -0.009 58.333 58.200 0.237 0.000 0.927 260 S CB -0.324 62.819 63.200 -0.096 0.000 0.772 260 S HN 0.300 nan 8.310 nan 0.000 0.533 261 N N 2.663 121.420 118.700 0.096 0.000 2.501 261 N HA 0.339 5.079 4.740 0.001 0.000 0.245 261 N C -1.782 173.625 175.510 -0.172 0.000 0.974 261 N CA -2.508 50.507 53.050 -0.057 0.000 0.941 261 N CB 1.725 40.113 38.487 -0.164 0.000 1.122 261 N HN -0.015 nan 8.380 nan 0.000 0.507 262 P HA -0.131 nan 4.420 nan 0.000 0.220 262 P C 0.799 177.782 177.300 -0.530 0.000 1.144 262 P CA 1.234 63.771 63.100 -0.938 0.000 0.800 262 P CB 0.029 30.882 31.700 -1.411 0.000 0.772 263 W N -0.411 120.747 121.300 -0.237 0.000 2.519 263 W HA -0.051 4.610 4.660 0.001 0.000 0.266 263 W C 2.321 178.629 176.519 -0.351 0.000 1.253 263 W CA -0.059 57.169 57.345 -0.196 0.000 1.274 263 W CB -0.829 28.559 29.460 -0.119 0.000 1.114 263 W HN -0.227 nan 8.180 nan 0.000 0.596 264 V N -0.027 119.643 119.914 -0.407 0.000 2.379 264 V HA -0.295 3.825 4.120 0.001 0.000 0.245 264 V C 1.845 177.816 176.094 -0.205 0.000 1.044 264 V CA 1.692 63.562 62.300 -0.718 0.000 1.036 264 V CB -0.971 30.291 31.823 -0.935 0.000 0.664 264 V HN 0.185 nan 8.190 nan 0.000 0.453 265 F N 1.083 120.995 119.950 -0.064 0.000 2.102 265 F HA -0.184 4.343 4.527 0.001 0.000 0.298 265 F C 2.668 178.554 175.800 0.144 0.000 1.105 265 F CA 1.950 60.063 58.000 0.188 0.000 1.239 265 F CB -0.265 38.821 39.000 0.144 0.000 0.991 265 F HN -0.077 nan 8.300 nan 0.000 0.474 266 R N 1.259 121.848 120.500 0.149 0.000 2.083 266 R HA -0.182 4.158 4.340 0.001 0.000 0.237 266 R C 2.279 178.642 176.300 0.104 0.000 1.137 266 R CA 1.658 57.838 56.100 0.133 0.000 0.951 266 R CB -1.301 29.149 30.300 0.252 0.000 0.851 266 R HN 0.445 nan 8.270 nan 0.000 0.434 267 A N 0.850 123.725 122.820 0.092 0.000 1.865 267 A HA -0.174 4.147 4.320 0.001 0.000 0.217 267 A C 2.227 179.945 177.584 0.224 0.000 1.191 267 A CA 1.889 53.991 52.037 0.108 0.000 0.623 267 A CB -0.431 18.494 19.000 -0.125 0.000 0.826 267 A HN 0.239 nan 8.150 nan 0.000 0.444 268 M N -0.401 119.333 119.600 0.223 0.000 2.229 268 M HA -0.042 4.438 4.480 0.001 0.000 0.264 268 M C 2.419 178.961 176.300 0.404 0.000 1.063 268 M CA 1.261 56.764 55.300 0.339 0.000 1.114 268 M CB -1.622 31.280 32.600 0.503 0.000 1.387 268 M HN 0.503 nan 8.290 nan 0.000 0.420 269 A N 0.181 123.147 122.820 0.244 0.000 1.898 269 A HA 0.020 4.341 4.320 0.001 0.000 0.216 269 A C 2.448 180.140 177.584 0.181 0.000 1.181 269 A CA 1.861 54.011 52.037 0.188 0.000 0.620 269 A CB -1.400 17.515 19.000 -0.140 0.000 0.819 269 A HN 0.487 nan 8.150 nan 0.000 0.442 270 G N -0.365 108.543 108.800 0.180 0.000 2.440 270 G HA2 -0.206 3.755 3.960 0.001 0.000 0.218 270 G HA3 -0.206 3.755 3.960 0.001 0.000 0.218 270 G C 1.350 176.379 174.900 0.215 0.000 1.154 270 G CA 1.026 46.242 45.100 0.193 0.000 0.767 270 G HN 0.473 nan 8.290 nan 0.000 0.552 271 E N -0.072 120.261 120.200 0.222 0.000 2.153 271 E HA -0.088 4.263 4.350 0.001 0.000 0.194 271 E C 2.309 179.057 176.600 0.247 0.000 0.988 271 E CA 0.586 57.111 56.400 0.209 0.000 0.811 271 E CB -0.386 29.329 29.700 0.025 0.000 0.746 271 E HN 0.540 nan 8.360 nan 0.000 0.466 272 M N 0.191 119.876 119.600 0.143 0.000 2.175 272 M HA -0.113 4.368 4.480 0.001 0.000 0.264 272 M C 2.042 178.338 176.300 -0.007 0.000 1.063 272 M CA 1.111 56.320 55.300 -0.151 0.000 1.119 272 M CB 0.031 32.377 32.600 -0.423 0.000 1.377 272 M HN 0.049 nan 8.290 nan 0.000 0.415 273 L N -0.616 120.665 121.223 0.097 0.000 2.141 273 L HA -0.189 4.152 4.340 0.001 0.000 0.209 273 L C 2.358 179.303 176.870 0.124 0.000 1.094 273 L CA 0.972 55.881 54.840 0.114 0.000 0.763 273 L CB -0.728 41.421 42.059 0.150 0.000 0.908 273 L HN 0.327 nan 8.230 nan 0.000 0.437 274 F N 0.807 120.785 119.950 0.047 0.000 2.075 274 F HA -0.220 4.308 4.527 0.001 0.000 0.297 274 F C 2.159 177.986 175.800 0.045 0.000 1.113 274 F CA 1.586 59.614 58.000 0.047 0.000 1.218 274 F CB -0.293 38.736 39.000 0.049 0.000 0.984 274 F HN -0.146 nan 8.300 nan 0.000 0.472 275 L N 0.085 121.271 121.223 -0.060 0.000 2.046 275 L HA -0.206 4.134 4.340 0.001 0.000 0.208 275 L C 2.844 179.638 176.870 -0.126 0.000 1.077 275 L CA 1.189 55.954 54.840 -0.126 0.000 0.747 275 L CB -1.375 40.710 42.059 0.044 0.000 0.896 275 L HN 0.287 nan 8.230 nan 0.000 0.432 276 A N 0.411 123.190 122.820 -0.067 0.000 1.892 276 A HA -0.244 4.077 4.320 0.001 0.000 0.218 276 A C 1.940 179.492 177.584 -0.053 0.000 1.188 276 A CA 2.205 54.223 52.037 -0.032 0.000 0.631 276 A CB -0.654 18.353 19.000 0.011 0.000 0.822 276 A HN 0.435 nan 8.150 nan 0.000 0.447 277 N N -0.198 118.448 118.700 -0.090 0.000 2.571 277 N HA 0.044 4.784 4.740 0.001 0.000 0.189 277 N C 1.228 176.650 175.510 -0.146 0.000 1.154 277 N CA 0.451 53.441 53.050 -0.100 0.000 0.907 277 N CB -0.284 38.152 38.487 -0.084 0.000 0.977 277 N HN 0.536 nan 8.380 nan 0.000 0.449 278 L N -1.306 119.793 121.223 -0.207 0.000 2.418 278 L HA 0.111 4.452 4.340 0.001 0.000 0.218 278 L C 1.240 178.055 176.870 -0.092 0.000 1.125 278 L CA 0.678 55.406 54.840 -0.187 0.000 0.835 278 L CB -0.098 41.827 42.059 -0.224 0.000 0.953 278 L HN 0.271 nan 8.230 nan 0.000 0.454 279 G N -0.495 108.279 108.800 -0.045 0.000 2.175 279 G HA2 -0.208 3.753 3.960 0.001 0.000 0.182 279 G HA3 -0.208 3.753 3.960 0.001 0.000 0.182 279 G C 0.189 175.138 174.900 0.081 0.000 1.003 279 G CA -0.205 44.927 45.100 0.053 0.000 0.666 279 G HN 0.014 nan 8.290 nan 0.000 0.506 280 V N 1.568 121.490 119.914 0.014 0.000 2.617 280 V HA 0.122 4.243 4.120 0.001 0.000 0.304 280 V C 1.289 177.413 176.094 0.050 0.000 1.040 280 V CA 1.175 63.490 62.300 0.024 0.000 1.149 280 V CB 1.120 32.952 31.823 0.015 0.000 0.914 280 V HN 0.374 nan 8.190 nan 0.000 0.487 281 D N 3.475 123.907 120.400 0.053 0.000 2.262 281 D HA 0.228 4.869 4.640 0.001 0.000 0.212 281 D C 0.315 176.686 176.300 0.119 0.000 0.964 281 D CA 1.053 55.081 54.000 0.047 0.000 0.875 281 D CB 0.855 41.662 40.800 0.012 0.000 0.996 281 D HN 0.400 nan 8.370 nan 0.000 0.497 282 I N 1.383 121.994 120.570 0.069 0.000 2.569 282 I HA 0.242 4.412 4.170 0.001 0.000 0.290 282 I C -0.923 175.228 176.117 0.057 0.000 1.088 282 I CA -0.577 60.791 61.300 0.113 0.000 1.047 282 I CB 2.964 40.993 38.000 0.049 0.000 1.237 282 I HN -0.288 nan 8.210 nan 0.000 0.421 283 L N 5.677 126.975 121.223 0.123 0.000 2.287 283 L HA 0.494 4.834 4.340 0.001 0.000 0.287 283 L C 0.252 177.133 176.870 0.019 0.000 1.022 283 L CA -0.571 54.290 54.840 0.035 0.000 0.814 283 L CB 1.469 43.475 42.059 -0.087 0.000 1.217 283 L HN 0.532 nan 8.230 nan 0.000 0.420 284 R N 4.573 125.074 120.500 0.002 0.000 2.291 284 R HA 0.220 4.561 4.340 0.001 0.000 0.333 284 R C -0.440 175.899 176.300 0.065 0.000 1.082 284 R CA -0.601 55.521 56.100 0.036 0.000 0.948 284 R CB 0.463 30.750 30.300 -0.020 0.000 1.009 284 R HN 0.484 nan 8.270 nan 0.000 0.460 285 M N 4.015 123.617 119.600 0.003 0.000 2.618 285 M HA 0.041 4.521 4.480 0.001 0.000 0.322 285 M C -0.433 175.976 176.300 0.182 0.000 1.471 285 M CA -0.149 55.104 55.300 -0.077 0.000 1.450 285 M CB -0.346 32.105 32.600 -0.249 0.000 1.444 285 M HN 0.501 nan 8.290 nan 0.000 0.471 286 D N 3.028 123.588 120.400 0.266 0.000 2.425 286 D HA 0.341 4.982 4.640 0.001 0.000 0.247 286 D C 0.592 177.065 176.300 0.289 0.000 1.147 286 D CA 0.613 54.764 54.000 0.252 0.000 0.879 286 D CB 0.721 41.670 40.800 0.248 0.000 1.179 286 D HN 0.815 nan 8.370 nan 0.000 0.456 287 A N 2.773 125.715 122.820 0.203 0.000 2.640 287 A HA -0.199 4.122 4.320 0.001 0.000 0.300 287 A C 1.592 179.360 177.584 0.307 0.000 1.499 287 A CA 0.931 53.176 52.037 0.347 0.000 0.759 287 A CB -2.291 16.947 19.000 0.396 0.000 1.048 287 A HN 1.047 nan 8.150 nan 0.000 0.450 288 V N -3.193 116.817 119.914 0.160 0.000 2.568 288 V HA -0.034 4.087 4.120 0.001 0.000 0.253 288 V C 2.409 178.456 176.094 -0.079 0.000 1.072 288 V CA 2.476 64.815 62.300 0.064 0.000 1.084 288 V CB -1.429 30.317 31.823 -0.127 0.000 0.676 288 V HN 1.837 nan 8.190 nan 0.000 0.469 289 A N 0.165 122.876 122.820 -0.180 0.000 2.015 289 A HA 0.062 4.383 4.320 0.001 0.000 0.219 289 A C 1.786 179.150 177.584 -0.367 0.000 1.163 289 A CA 1.673 53.538 52.037 -0.286 0.000 0.646 289 A CB -0.796 17.886 19.000 -0.530 0.000 0.806 289 A HN 0.652 nan 8.150 nan 0.000 0.448 290 F N -0.050 119.900 119.950 -0.001 0.000 2.765 290 F HA 0.201 4.728 4.527 0.001 0.000 0.302 290 F C 1.618 177.365 175.800 -0.088 0.000 1.111 290 F CA 0.001 57.974 58.000 -0.045 0.000 1.359 290 F CB -0.234 38.743 39.000 -0.038 0.000 1.097 290 F HN 0.299 nan 8.300 nan 0.000 0.577 291 I N -2.455 118.142 120.570 0.044 0.000 3.456 291 I HA -0.060 4.110 4.170 0.001 0.000 0.291 291 I C 0.093 176.329 176.117 0.198 0.000 1.307 291 I CA 0.654 61.961 61.300 0.010 0.000 1.333 291 I CB -0.062 37.736 38.000 -0.336 0.000 1.032 291 I HN 0.197 nan 8.210 nan 0.000 0.506 292 W N 2.780 124.031 121.300 -0.082 0.000 3.097 292 W HA 0.409 5.070 4.660 0.001 0.000 0.335 292 W C -1.281 175.151 176.519 -0.145 0.000 1.114 292 W CA -0.818 56.488 57.345 -0.065 0.000 1.231 292 W CB 2.017 31.447 29.460 -0.051 0.000 1.388 292 W HN -0.172 nan 8.180 nan 0.000 0.485 293 K N 3.791 123.763 120.400 -0.714 0.000 2.203 293 K HA 0.485 4.805 4.320 0.001 0.000 0.251 293 K C -0.929 175.497 176.600 -0.291 0.000 0.944 293 K CA -1.029 54.919 56.287 -0.564 0.000 0.829 293 K CB 2.325 34.160 32.500 -1.107 0.000 1.125 293 K HN 0.413 nan 8.250 nan 0.000 0.430 294 Q N 1.858 121.699 119.800 0.069 0.000 2.331 294 Q HA 0.260 4.601 4.340 0.001 0.000 0.249 294 Q C -1.383 174.820 176.000 0.338 0.000 0.913 294 Q CA -0.431 55.504 55.803 0.219 0.000 0.874 294 Q CB 1.341 30.216 28.738 0.229 0.000 1.384 294 Q HN 0.599 nan 8.270 nan 0.000 0.427 295 M N 3.475 123.310 119.600 0.391 0.000 2.248 295 M HA 0.356 4.837 4.480 0.001 0.000 0.343 295 M C 1.203 177.569 176.300 0.109 0.000 1.243 295 M CA 2.563 57.974 55.300 0.186 0.000 1.025 295 M CB -0.078 32.465 32.600 -0.095 0.000 1.759 295 M HN 1.032 nan 8.290 nan 0.000 0.452 296 G N 2.247 111.094 108.800 0.078 0.000 2.217 296 G HA2 -0.230 3.731 3.960 0.001 0.000 0.246 296 G HA3 -0.230 3.731 3.960 0.001 0.000 0.246 296 G C 0.223 175.169 174.900 0.077 0.000 0.990 296 G CA 0.575 45.705 45.100 0.050 0.000 0.627 296 G HN 1.237 nan 8.290 nan 0.000 0.522 297 T N -2.147 112.482 114.554 0.124 0.000 2.940 297 T HA 0.684 5.035 4.350 0.001 0.000 0.288 297 T C 1.543 176.319 174.700 0.127 0.000 1.045 297 T CA 0.839 63.005 62.100 0.110 0.000 1.018 297 T CB 1.526 70.465 68.868 0.117 0.000 1.151 297 T HN 1.083 nan 8.240 nan 0.000 0.529 298 S N -0.931 114.823 115.700 0.090 0.000 2.555 298 S HA 0.006 4.477 4.470 0.001 0.000 0.230 298 S C 1.246 175.906 174.600 0.099 0.000 0.978 298 S CA 0.201 58.451 58.200 0.084 0.000 0.934 298 S CB -1.542 61.683 63.200 0.042 0.000 0.766 298 S HN 1.131 nan 8.310 nan 0.000 0.533 299 C N 1.290 120.653 119.300 0.105 0.000 4.432 299 C HA -0.113 4.348 4.460 0.001 0.000 0.294 299 C C 0.144 175.126 174.990 -0.014 0.000 1.398 299 C CA 0.513 59.577 59.018 0.076 0.000 1.988 299 C CB -2.777 25.043 27.740 0.133 0.000 1.251 299 C HN 0.749 nan 8.230 nan 0.000 0.791 300 E N -0.228 119.939 120.200 -0.055 0.000 2.293 300 E HA 0.392 4.743 4.350 0.001 0.000 0.270 300 E C 0.214 176.776 176.600 -0.063 0.000 0.879 300 E CA -0.820 55.459 56.400 -0.202 0.000 0.756 300 E CB 0.990 30.516 29.700 -0.290 0.000 1.208 300 E HN 0.307 nan 8.360 nan 0.000 0.428 301 N N 1.029 119.711 118.700 -0.030 0.000 2.693 301 N HA -0.215 4.526 4.740 0.001 0.000 0.249 301 N C -0.333 175.215 175.510 0.063 0.000 1.119 301 N CA 0.826 53.918 53.050 0.070 0.000 0.717 301 N CB -1.463 37.097 38.487 0.121 0.000 1.071 301 N HN 0.477 nan 8.380 nan 0.000 0.555 302 L N 0.227 121.487 121.223 0.061 0.000 2.452 302 L HA 0.078 4.419 4.340 0.001 0.000 0.267 302 L C -0.577 176.315 176.870 0.036 0.000 1.188 302 L CA -1.348 53.540 54.840 0.080 0.000 0.821 302 L CB 0.113 42.286 42.059 0.191 0.000 1.102 302 L HN -0.180 nan 8.230 nan 0.000 0.470 303 P HA -0.222 nan 4.420 nan 0.000 0.216 303 P C 1.119 178.306 177.300 -0.189 0.000 1.154 303 P CA 1.278 64.339 63.100 -0.066 0.000 0.865 303 P CB 0.187 31.817 31.700 -0.118 0.000 0.789 304 Q N -0.929 118.602 119.800 -0.448 0.000 2.226 304 Q HA -0.091 4.250 4.340 0.001 0.000 0.204 304 Q C 2.205 177.938 176.000 -0.445 0.000 0.975 304 Q CA 1.740 57.088 55.803 -0.758 0.000 0.866 304 Q CB -1.101 26.488 28.738 -1.915 0.000 0.915 304 Q HN 0.205 nan 8.270 nan 0.000 0.440 305 A N 0.309 123.002 122.820 -0.212 0.000 1.877 305 A HA -0.226 4.094 4.320 0.001 0.000 0.216 305 A C 1.746 179.294 177.584 -0.059 0.000 1.186 305 A CA 1.501 53.496 52.037 -0.070 0.000 0.620 305 A CB -0.687 18.294 19.000 -0.032 0.000 0.822 305 A HN 0.400 nan 8.150 nan 0.000 0.443 306 H N -0.451 118.605 119.070 -0.024 0.000 2.353 306 H HA -0.044 4.513 4.556 0.001 0.000 0.300 306 H C 2.599 177.909 175.328 -0.031 0.000 1.090 306 H CA 1.466 57.500 56.048 -0.023 0.000 1.327 306 H CB -0.477 29.194 29.762 -0.151 0.000 1.383 306 H HN 0.530 nan 8.280 nan 0.000 0.508 307 A N 1.229 124.042 122.820 -0.011 0.000 1.908 307 A HA -0.131 4.190 4.320 0.001 0.000 0.218 307 A C 2.723 180.251 177.584 -0.094 0.000 1.181 307 A CA 1.137 53.112 52.037 -0.104 0.000 0.627 307 A CB -0.921 17.936 19.000 -0.238 0.000 0.818 307 A HN 0.263 nan 8.150 nan 0.000 0.445 308 L N -0.699 120.463 121.223 -0.101 0.000 2.046 308 L HA -0.184 4.156 4.340 0.001 0.000 0.208 308 L C 2.479 179.500 176.870 0.252 0.000 1.077 308 L CA 1.312 56.134 54.840 -0.029 0.000 0.747 308 L CB -0.462 41.596 42.059 -0.001 0.000 0.896 308 L HN 0.386 nan 8.230 nan 0.000 0.432 309 I N -0.703 120.066 120.570 0.332 0.000 2.226 309 I HA -0.273 3.898 4.170 0.001 0.000 0.245 309 I C 2.669 179.033 176.117 0.411 0.000 1.100 309 I CA 1.187 62.768 61.300 0.468 0.000 1.374 309 I CB -0.286 37.941 38.000 0.378 0.000 1.057 309 I HN 0.186 nan 8.210 nan 0.000 0.413 310 R N 0.616 121.259 120.500 0.238 0.000 2.148 310 R HA -0.089 4.252 4.340 0.001 0.000 0.227 310 R C 2.398 178.779 176.300 0.136 0.000 1.103 310 R CA 1.257 57.451 56.100 0.157 0.000 0.983 310 R CB -0.343 29.990 30.300 0.056 0.000 0.874 310 R HN 0.367 nan 8.270 nan 0.000 0.451 311 A N 0.599 123.482 122.820 0.104 0.000 1.898 311 A HA -0.109 4.212 4.320 0.001 0.000 0.216 311 A C 1.897 179.651 177.584 0.284 0.000 1.181 311 A CA 0.960 53.031 52.037 0.056 0.000 0.620 311 A CB -0.595 18.272 19.000 -0.221 0.000 0.819 311 A HN 0.213 nan 8.150 nan 0.000 0.442 312 F N 0.136 120.351 119.950 0.442 0.000 2.126 312 F HA -0.218 4.310 4.527 0.001 0.000 0.299 312 F C 2.299 178.321 175.800 0.370 0.000 1.096 312 F CA 1.584 59.819 58.000 0.392 0.000 1.255 312 F CB -0.335 38.814 39.000 0.248 0.000 0.997 312 F HN 0.396 nan 8.300 nan 0.000 0.479 313 N N 0.349 119.379 118.700 0.549 0.000 2.069 313 N HA -0.215 4.526 4.740 0.001 0.000 0.191 313 N C 1.890 177.374 175.510 -0.044 0.000 1.031 313 N CA 1.362 54.461 53.050 0.081 0.000 0.852 313 N CB -0.233 38.257 38.487 0.004 0.000 1.018 313 N HN 0.184 nan 8.380 nan 0.000 0.423 314 A N 0.092 122.933 122.820 0.035 0.000 1.940 314 A HA -0.103 4.218 4.320 0.001 0.000 0.219 314 A C 2.351 179.945 177.584 0.017 0.000 1.176 314 A CA 1.540 53.568 52.037 -0.015 0.000 0.631 314 A CB -0.905 18.106 19.000 0.018 0.000 0.814 314 A HN 0.230 nan 8.150 nan 0.000 0.446 315 V N -0.058 119.935 119.914 0.132 0.000 2.392 315 V HA -0.302 3.819 4.120 0.001 0.000 0.249 315 V C 2.659 178.810 176.094 0.095 0.000 1.059 315 V CA 2.029 64.428 62.300 0.166 0.000 1.051 315 V CB -0.669 31.308 31.823 0.257 0.000 0.658 315 V HN 0.519 nan 8.190 nan 0.000 0.455 316 M N -0.730 118.891 119.600 0.035 0.000 2.200 316 M HA -0.040 4.441 4.480 0.001 0.000 0.265 316 M C 2.287 178.508 176.300 -0.132 0.000 1.066 316 M CA 1.422 56.697 55.300 -0.041 0.000 1.127 316 M CB -1.134 31.380 32.600 -0.143 0.000 1.379 316 M HN 0.275 nan 8.290 nan 0.000 0.420 317 R N 0.244 120.582 120.500 -0.270 0.000 2.152 317 R HA -0.008 4.332 4.340 0.001 0.000 0.232 317 R C 2.040 178.142 176.300 -0.330 0.000 1.117 317 R CA 1.156 56.963 56.100 -0.489 0.000 0.981 317 R CB -0.762 28.898 30.300 -1.067 0.000 0.870 317 R HN 0.444 nan 8.270 nan 0.000 0.451 318 I N -0.479 119.997 120.570 -0.157 0.000 2.429 318 I HA -0.050 4.121 4.170 0.001 0.000 0.247 318 I C 1.927 178.040 176.117 -0.007 0.000 1.099 318 I CA 1.021 62.273 61.300 -0.080 0.000 1.422 318 I CB -0.061 37.933 38.000 -0.010 0.000 1.112 318 I HN 0.018 nan 8.210 nan 0.000 0.430 319 A N -0.005 122.878 122.820 0.104 0.000 2.382 319 A HA 0.702 5.022 4.320 0.001 0.000 0.228 319 A C 0.931 178.662 177.584 0.246 0.000 1.217 319 A CA 0.526 52.697 52.037 0.223 0.000 0.923 319 A CB 0.328 19.515 19.000 0.311 0.000 0.979 319 A HN 0.276 nan 8.150 nan 0.000 0.515 320 A N -0.221 122.676 122.820 0.127 0.000 3.208 320 A HA 0.561 4.881 4.320 0.001 0.000 0.252 320 A C -2.155 175.457 177.584 0.047 0.000 1.225 320 A CA -0.398 51.715 52.037 0.127 0.000 0.980 320 A CB -0.035 19.029 19.000 0.105 0.000 1.414 320 A HN 0.011 nan 8.150 nan 0.000 0.721 321 P HA -0.236 nan 4.420 nan 0.000 0.218 321 P C 1.747 179.090 177.300 0.072 0.000 1.146 321 P CA 2.181 65.275 63.100 -0.009 0.000 0.820 321 P CB 0.314 32.011 31.700 -0.006 0.000 0.778 322 A N -1.074 121.782 122.820 0.061 0.000 2.067 322 A HA -0.033 4.288 4.320 0.001 0.000 0.219 322 A C 1.020 178.699 177.584 0.159 0.000 1.158 322 A CA 0.670 52.729 52.037 0.038 0.000 0.661 322 A CB -1.031 17.924 19.000 -0.074 0.000 0.801 322 A HN 0.045 nan 8.150 nan 0.000 0.452 323 V N 1.603 121.604 119.914 0.145 0.000 2.415 323 V HA 0.229 4.349 4.120 0.001 0.000 0.267 323 V C -0.313 175.901 176.094 0.201 0.000 1.042 323 V CA 0.055 62.454 62.300 0.165 0.000 1.000 323 V CB -0.527 31.340 31.823 0.073 0.000 1.015 323 V HN 0.293 nan 8.190 nan 0.000 0.478 324 F N 4.475 124.428 119.950 0.005 0.000 2.450 324 F HA 0.709 5.237 4.527 0.001 0.000 0.328 324 F C -0.016 175.842 175.800 0.098 0.000 1.068 324 F CA -1.242 56.729 58.000 -0.048 0.000 1.007 324 F CB 1.444 40.531 39.000 0.145 0.000 1.251 324 F HN 0.245 nan 8.300 nan 0.000 0.492 325 F N 0.889 120.891 119.950 0.086 0.000 2.480 325 F HA 0.434 4.962 4.527 0.001 0.000 0.329 325 F C -0.027 175.804 175.800 0.051 0.000 1.091 325 F CA -1.716 56.292 58.000 0.014 0.000 0.972 325 F CB 1.537 40.507 39.000 -0.049 0.000 1.150 325 F HN 0.186 nan 8.300 nan 0.000 0.467 326 K N 1.806 122.345 120.400 0.233 0.000 2.449 326 K HA 0.392 4.713 4.320 0.001 0.000 0.257 326 K C -0.308 176.392 176.600 0.168 0.000 0.989 326 K CA -0.252 56.124 56.287 0.149 0.000 0.916 326 K CB 1.145 33.691 32.500 0.078 0.000 1.136 326 K HN 0.645 nan 8.250 nan 0.000 0.439 327 S N 3.149 118.961 115.700 0.186 0.000 2.531 327 S HA 0.016 4.487 4.470 0.001 0.000 0.279 327 S C -0.364 174.407 174.600 0.284 0.000 1.305 327 S CA -0.291 58.019 58.200 0.182 0.000 1.058 327 S CB 0.646 63.957 63.200 0.184 0.000 0.899 327 S HN 0.703 nan 8.310 nan 0.000 0.493 328 E N 3.636 123.943 120.200 0.180 0.000 2.173 328 E HA 0.478 4.829 4.350 0.001 0.000 0.249 328 E C -1.303 175.303 176.600 0.010 0.000 0.923 328 E CA -0.489 55.987 56.400 0.128 0.000 0.754 328 E CB 0.784 30.510 29.700 0.044 0.000 1.177 328 E HN 0.678 nan 8.360 nan 0.000 0.430 329 A N 6.315 129.151 122.820 0.027 0.000 2.483 329 A HA 0.357 4.678 4.320 0.001 0.000 0.308 329 A C -0.481 177.158 177.584 0.092 0.000 1.291 329 A CA -0.620 51.397 52.037 -0.035 0.000 0.774 329 A CB 0.230 19.116 19.000 -0.189 0.000 1.134 329 A HN 0.448 nan 8.150 nan 0.000 0.471 330 I N 4.494 125.110 120.570 0.076 0.000 2.243 330 I HA 0.279 4.450 4.170 0.001 0.000 0.289 330 I C 0.378 176.548 176.117 0.089 0.000 1.140 330 I CA 0.146 61.495 61.300 0.082 0.000 1.289 330 I CB -0.765 37.256 38.000 0.036 0.000 1.498 330 I HN 0.457 nan 8.210 nan 0.000 0.561 331 V N 1.278 121.260 119.914 0.114 0.000 3.087 331 V HA 0.519 4.639 4.120 0.001 0.000 0.311 331 V C 0.315 176.499 176.094 0.150 0.000 1.333 331 V CA -1.025 61.347 62.300 0.119 0.000 1.054 331 V CB 1.767 33.665 31.823 0.125 0.000 1.123 331 V HN 0.493 nan 8.190 nan 0.000 0.473 332 H N 1.577 120.689 119.070 0.070 0.000 3.001 332 H HA 0.195 4.752 4.556 0.001 0.000 0.334 332 H C -2.017 173.380 175.328 0.114 0.000 1.034 332 H CA -0.338 55.751 56.048 0.069 0.000 1.420 332 H CB 1.798 31.590 29.762 0.051 0.000 1.405 332 H HN 0.387 nan 8.280 nan 0.000 0.593 333 P HA -0.167 nan 4.420 nan 0.000 0.217 333 P C 0.940 178.446 177.300 0.342 0.000 1.151 333 P CA 1.482 64.702 63.100 0.200 0.000 0.849 333 P CB 0.340 32.080 31.700 0.066 0.000 0.787 334 D N -1.389 119.320 120.400 0.515 0.000 2.219 334 D HA -0.135 4.506 4.640 0.001 0.000 0.205 334 D C 1.959 178.372 176.300 0.190 0.000 0.970 334 D CA 0.990 55.153 54.000 0.272 0.000 0.851 334 D CB -0.268 40.609 40.800 0.130 0.000 0.943 334 D HN 0.240 nan 8.370 nan 0.000 0.488 335 Q N 0.122 120.067 119.800 0.242 0.000 2.204 335 Q HA 0.025 4.366 4.340 0.001 0.000 0.198 335 Q C 2.576 178.779 176.000 0.338 0.000 0.946 335 Q CA 0.181 56.115 55.803 0.219 0.000 0.859 335 Q CB -0.447 28.428 28.738 0.227 0.000 0.946 335 Q HN 0.189 nan 8.270 nan 0.000 0.474 336 V N 0.789 120.929 119.914 0.376 0.000 2.252 336 V HA -0.207 3.913 4.120 0.001 0.000 0.249 336 V C 2.340 178.706 176.094 0.452 0.000 1.056 336 V CA 1.866 64.441 62.300 0.458 0.000 1.022 336 V CB -0.803 31.277 31.823 0.429 0.000 0.641 336 V HN 0.177 nan 8.190 nan 0.000 0.445 337 V N -0.675 119.444 119.914 0.342 0.000 2.720 337 V HA -0.275 3.845 4.120 0.001 0.000 0.256 337 V C 2.337 178.466 176.094 0.059 0.000 1.082 337 V CA 2.004 64.406 62.300 0.170 0.000 1.101 337 V CB -0.331 31.591 31.823 0.165 0.000 0.693 337 V HN 0.654 nan 8.190 nan 0.000 0.479 338 Q N -1.417 118.405 119.800 0.038 0.000 2.291 338 Q HA -0.147 4.194 4.340 0.001 0.000 0.205 338 Q C 1.753 177.662 176.000 -0.152 0.000 0.970 338 Q CA 1.668 57.370 55.803 -0.169 0.000 0.876 338 Q CB -0.082 28.437 28.738 -0.365 0.000 0.935 338 Q HN 0.829 nan 8.270 nan 0.000 0.455 339 Y N -0.176 120.252 120.300 0.213 0.000 2.519 339 Y HA 0.061 4.612 4.550 0.001 0.000 0.287 339 Y C 0.627 176.594 175.900 0.111 0.000 1.128 339 Y CA 0.151 58.399 58.100 0.247 0.000 1.282 339 Y CB 0.422 39.014 38.460 0.220 0.000 1.027 339 Y HN -0.005 nan 8.280 nan 0.000 0.551 340 I N 0.897 121.545 120.570 0.131 0.000 2.337 340 I HA 0.444 4.614 4.170 0.001 0.000 0.291 340 I C 0.564 176.650 176.117 -0.052 0.000 1.046 340 I CA 0.006 61.302 61.300 -0.007 0.000 1.324 340 I CB 0.342 38.225 38.000 -0.196 0.000 1.409 340 I HN 0.122 nan 8.210 nan 0.000 0.494 341 G N 4.083 112.866 108.800 -0.030 0.000 2.702 341 G HA2 0.141 4.102 3.960 0.001 0.000 0.296 341 G HA3 0.141 4.102 3.960 0.001 0.000 0.296 341 G C -0.253 174.617 174.900 -0.050 0.000 1.463 341 G CA -0.505 44.568 45.100 -0.046 0.000 0.890 341 G HN 0.574 nan 8.290 nan 0.000 0.534 342 Q N -0.251 119.520 119.800 -0.047 0.000 2.181 342 Q HA -0.144 4.197 4.340 0.001 0.000 0.205 342 Q C 0.878 176.794 176.000 -0.141 0.000 0.980 342 Q CA 2.122 57.876 55.803 -0.081 0.000 0.862 342 Q CB 0.107 28.837 28.738 -0.014 0.000 0.905 342 Q HN 0.490 nan 8.270 nan 0.000 0.429 343 D N -0.494 119.856 120.400 -0.084 0.000 2.328 343 D HA 0.065 4.706 4.640 0.001 0.000 0.221 343 D C 0.403 176.685 176.300 -0.030 0.000 1.072 343 D CA 0.235 54.187 54.000 -0.079 0.000 0.850 343 D CB 0.509 41.282 40.800 -0.045 0.000 0.922 343 D HN 0.413 nan 8.370 nan 0.000 0.516 344 E N -1.140 119.060 120.200 -0.000 0.000 3.471 344 E HA 0.225 4.576 4.350 0.001 0.000 0.253 344 E C -0.567 176.142 176.600 0.181 0.000 1.036 344 E CA -0.366 56.113 56.400 0.131 0.000 0.924 344 E CB 0.937 30.731 29.700 0.157 0.000 3.088 344 E HN -0.074 nan 8.360 nan 0.000 0.570 345 C N 2.401 121.816 119.300 0.192 0.000 2.251 345 C HA 0.287 4.748 4.460 0.001 0.000 0.323 345 C C 0.836 175.862 174.990 0.060 0.000 1.241 345 C CA -0.520 58.622 59.018 0.207 0.000 1.601 345 C CB 0.439 28.331 27.740 0.254 0.000 2.251 345 C HN 0.584 nan 8.230 nan 0.000 0.488 346 Q N 2.134 121.923 119.800 -0.020 0.000 2.226 346 Q HA 0.017 4.358 4.340 0.001 0.000 0.204 346 Q C 0.649 176.647 176.000 -0.004 0.000 0.975 346 Q CA 1.151 56.932 55.803 -0.036 0.000 0.866 346 Q CB -0.054 28.654 28.738 -0.050 0.000 0.915 346 Q HN 0.912 nan 8.270 nan 0.000 0.440 347 I N -5.318 115.274 120.570 0.036 0.000 3.074 347 I HA 0.885 5.055 4.170 0.001 0.000 0.310 347 I C -0.400 175.740 176.117 0.039 0.000 1.153 347 I CA -1.405 59.890 61.300 -0.009 0.000 0.993 347 I CB 2.340 40.329 38.000 -0.018 0.000 1.237 347 I HN -0.089 nan 8.210 nan 0.000 0.443 348 G N 1.397 110.228 108.800 0.052 0.000 2.703 348 G HA2 0.488 4.448 3.960 0.001 0.000 0.294 348 G HA3 0.488 4.448 3.960 0.001 0.000 0.294 348 G C -1.900 173.182 174.900 0.304 0.000 1.451 348 G CA -0.697 44.507 45.100 0.172 0.000 0.869 348 G HN 0.585 nan 8.290 nan 0.000 0.516 349 Y N 0.615 121.071 120.300 0.260 0.000 2.683 349 Y HA 0.164 4.715 4.550 0.001 0.000 0.340 349 Y C 1.153 177.333 175.900 0.467 0.000 1.245 349 Y CA 0.594 58.855 58.100 0.268 0.000 1.485 349 Y CB 0.847 39.351 38.460 0.073 0.000 1.328 349 Y HN 0.472 nan 8.280 nan 0.000 0.603 350 N N 4.681 123.706 118.700 0.542 0.000 3.112 350 N HA 0.206 4.947 4.740 0.001 0.000 0.270 350 N C -2.121 173.408 175.510 0.032 0.000 1.385 350 N CA -2.460 50.551 53.050 -0.065 0.000 0.986 350 N CB 0.470 38.651 38.487 -0.511 0.000 1.261 350 N HN 0.262 nan 8.380 nan 0.000 0.495 351 P HA -0.178 nan 4.420 nan 0.000 0.218 351 P C 1.555 178.823 177.300 -0.053 0.000 1.148 351 P CA 0.496 63.655 63.100 0.098 0.000 0.822 351 P CB 0.628 32.425 31.700 0.163 0.000 0.784 352 L N 0.400 121.570 121.223 -0.087 0.000 1.994 352 L HA -0.156 4.184 4.340 0.001 0.000 0.208 352 L C 2.834 179.643 176.870 -0.102 0.000 1.071 352 L CA 1.963 56.763 54.840 -0.066 0.000 0.745 352 L CB -1.666 40.342 42.059 -0.084 0.000 0.892 352 L HN -0.083 nan 8.230 nan 0.000 0.431 353 Q N -1.253 118.415 119.800 -0.220 0.000 2.050 353 Q HA -0.258 4.083 4.340 0.001 0.000 0.202 353 Q C 2.287 178.181 176.000 -0.177 0.000 0.980 353 Q CA 2.152 57.837 55.803 -0.196 0.000 0.840 353 Q CB -0.260 28.328 28.738 -0.250 0.000 0.898 353 Q HN 0.563 nan 8.270 nan 0.000 0.424 354 M N 0.445 119.882 119.600 -0.272 0.000 2.065 354 M HA -0.192 4.289 4.480 0.001 0.000 0.259 354 M C 2.045 178.307 176.300 -0.063 0.000 1.071 354 M CA 2.273 57.373 55.300 -0.332 0.000 1.109 354 M CB -0.943 31.168 32.600 -0.815 0.000 1.313 354 M HN 0.306 nan 8.290 nan 0.000 0.408 355 A N 0.400 123.223 122.820 0.005 0.000 1.933 355 A HA -0.136 4.185 4.320 0.001 0.000 0.218 355 A C 2.177 179.979 177.584 0.362 0.000 1.175 355 A CA 1.439 53.614 52.037 0.230 0.000 0.628 355 A CB -0.917 18.222 19.000 0.231 0.000 0.814 355 A HN 0.638 nan 8.150 nan 0.000 0.444 356 L N -0.718 120.606 121.223 0.168 0.000 2.313 356 L HA -0.052 4.289 4.340 0.001 0.000 0.214 356 L C 2.313 179.185 176.870 0.004 0.000 1.119 356 L CA 0.307 55.203 54.840 0.093 0.000 0.809 356 L CB -0.383 41.679 42.059 0.004 0.000 0.933 356 L HN 0.387 nan 8.230 nan 0.000 0.449 357 L N -1.595 119.606 121.223 -0.037 0.000 2.056 357 L HA -0.181 4.160 4.340 0.001 0.000 0.207 357 L C 2.353 179.177 176.870 -0.077 0.000 1.078 357 L CA 1.663 56.429 54.840 -0.124 0.000 0.749 357 L CB -0.456 41.437 42.059 -0.276 0.000 0.901 357 L HN 0.328 nan 8.230 nan 0.000 0.433 358 W N 0.319 121.722 121.300 0.170 0.000 2.388 358 W HA -0.176 4.485 4.660 0.001 0.000 0.294 358 W C 2.536 179.286 176.519 0.384 0.000 1.212 358 W CA 1.233 58.740 57.345 0.269 0.000 1.271 358 W CB -0.474 29.021 29.460 0.057 0.000 1.126 358 W HN 0.251 nan 8.180 nan 0.000 0.535 359 N N -0.199 118.765 118.700 0.441 0.000 2.069 359 N HA -0.191 4.549 4.740 0.001 0.000 0.191 359 N C 1.497 177.063 175.510 0.094 0.000 1.031 359 N CA 2.790 55.959 53.050 0.198 0.000 0.852 359 N CB -0.560 37.997 38.487 0.116 0.000 1.018 359 N HN -0.097 nan 8.380 nan 0.000 0.423 360 T N 0.615 115.159 114.554 -0.016 0.000 2.788 360 T HA -0.048 4.303 4.350 0.001 0.000 0.268 360 T C 1.853 176.612 174.700 0.099 0.000 1.044 360 T CA 0.888 62.879 62.100 -0.182 0.000 1.139 360 T CB -0.278 68.104 68.868 -0.811 0.000 0.867 360 T HN 0.185 nan 8.240 nan 0.000 0.454 361 L N 0.563 121.996 121.223 0.350 0.000 2.083 361 L HA -0.105 4.235 4.340 0.001 0.000 0.209 361 L C 3.003 180.114 176.870 0.401 0.000 1.083 361 L CA 1.219 56.406 54.840 0.578 0.000 0.752 361 L CB -0.604 41.852 42.059 0.662 0.000 0.899 361 L HN 0.279 nan 8.230 nan 0.000 0.433 362 A N -0.130 122.725 122.820 0.059 0.000 1.872 362 A HA -0.186 4.135 4.320 0.001 0.000 0.214 362 A C 2.370 179.728 177.584 -0.376 0.000 1.187 362 A CA 2.084 53.675 52.037 -0.744 0.000 0.614 362 A CB -0.813 17.468 19.000 -1.199 0.000 0.826 362 A HN 0.489 nan 8.150 nan 0.000 0.442 363 T N -5.406 109.076 114.554 -0.119 0.000 3.067 363 T HA 0.144 4.495 4.350 0.001 0.000 0.257 363 T C 0.987 175.710 174.700 0.038 0.000 1.105 363 T CA 0.864 62.924 62.100 -0.067 0.000 1.104 363 T CB -0.022 68.817 68.868 -0.050 0.000 0.925 363 T HN 0.380 nan 8.240 nan 0.000 0.498 364 R N 0.786 121.356 120.500 0.116 0.000 3.994 364 R HA -0.116 4.225 4.340 0.001 0.000 0.403 364 R C -0.774 175.692 176.300 0.277 0.000 1.126 364 R CA 1.299 57.530 56.100 0.219 0.000 1.143 364 R CB -2.318 28.083 30.300 0.168 0.000 1.695 364 R HN 0.710 nan 8.270 nan 0.000 0.555 365 E N -0.144 120.110 120.200 0.091 0.000 2.165 365 E HA 0.295 4.646 4.350 0.001 0.000 0.266 365 E C 0.713 177.256 176.600 -0.094 0.000 0.889 365 E CA 0.050 56.450 56.400 0.000 0.000 0.756 365 E CB 1.797 31.467 29.700 -0.050 0.000 1.131 365 E HN 0.084 nan 8.360 nan 0.000 0.411 366 V N 0.553 120.410 119.914 -0.095 0.000 3.646 366 V HA -0.126 3.995 4.120 0.001 0.000 0.277 366 V C 1.257 177.315 176.094 -0.060 0.000 1.274 366 V CA 0.639 62.861 62.300 -0.130 0.000 1.164 366 V CB -1.112 30.686 31.823 -0.042 0.000 0.926 366 V HN 0.540 nan 8.190 nan 0.000 0.442 367 N N 2.495 121.151 118.700 -0.074 0.000 2.021 367 N HA -0.277 4.463 4.740 0.001 0.000 0.198 367 N C 1.534 177.038 175.510 -0.010 0.000 1.041 367 N CA 2.595 55.620 53.050 -0.042 0.000 0.862 367 N CB -1.077 37.360 38.487 -0.083 0.000 1.048 367 N HN 0.532 nan 8.380 nan 0.000 0.427 368 L N -1.025 120.141 121.223 -0.095 0.000 2.046 368 L HA -0.058 4.283 4.340 0.001 0.000 0.208 368 L C 2.469 179.312 176.870 -0.045 0.000 1.077 368 L CA 0.776 55.553 54.840 -0.106 0.000 0.747 368 L CB -0.541 41.373 42.059 -0.242 0.000 0.896 368 L HN 0.173 nan 8.230 nan 0.000 0.432 369 L N -0.644 120.538 121.223 -0.069 0.000 2.012 369 L HA -0.288 4.052 4.340 0.001 0.000 0.210 369 L C 2.705 179.577 176.870 0.003 0.000 1.073 369 L CA 1.900 56.704 54.840 -0.059 0.000 0.748 369 L CB -0.921 41.057 42.059 -0.135 0.000 0.891 369 L HN 0.299 nan 8.230 nan 0.000 0.431 370 H N -0.598 118.455 119.070 -0.029 0.000 2.352 370 H HA -0.232 4.325 4.556 0.001 0.000 0.299 370 H C 2.139 177.477 175.328 0.017 0.000 1.097 370 H CA 2.206 58.260 56.048 0.009 0.000 1.311 370 H CB 0.087 29.861 29.762 0.020 0.000 1.377 370 H HN 0.600 nan 8.280 nan 0.000 0.504 371 Q N 0.224 120.092 119.800 0.114 0.000 2.061 371 Q HA -0.142 4.198 4.340 0.001 0.000 0.204 371 Q C 2.438 178.518 176.000 0.134 0.000 0.984 371 Q CA 1.709 57.622 55.803 0.183 0.000 0.846 371 Q CB -0.156 28.708 28.738 0.211 0.000 0.902 371 Q HN 0.525 nan 8.270 nan 0.000 0.421 372 A N 0.706 123.564 122.820 0.064 0.000 1.902 372 A HA -0.139 4.181 4.320 0.001 0.000 0.217 372 A C 2.040 179.629 177.584 0.007 0.000 1.181 372 A CA 1.208 53.278 52.037 0.055 0.000 0.623 372 A CB -0.672 18.334 19.000 0.010 0.000 0.818 372 A HN 0.466 nan 8.150 nan 0.000 0.443 373 L N -0.722 120.447 121.223 -0.090 0.000 2.201 373 L HA -0.110 4.231 4.340 0.001 0.000 0.212 373 L C 2.527 179.285 176.870 -0.187 0.000 1.105 373 L CA 1.491 56.242 54.840 -0.149 0.000 0.775 373 L CB -0.652 41.265 42.059 -0.235 0.000 0.913 373 L HN 0.361 nan 8.230 nan 0.000 0.440 374 T N -1.714 112.648 114.554 -0.320 0.000 2.894 374 T HA -0.081 4.270 4.350 0.001 0.000 0.258 374 T C 1.384 175.802 174.700 -0.470 0.000 1.043 374 T CA 1.153 62.945 62.100 -0.514 0.000 1.141 374 T CB -0.101 68.237 68.868 -0.884 0.000 0.873 374 T HN 0.213 nan 8.240 nan 0.000 0.449 375 Y N 0.602 120.913 120.300 0.019 0.000 2.481 375 Y HA 0.385 4.936 4.550 0.001 0.000 0.258 375 Y C 1.820 177.780 175.900 0.101 0.000 1.103 375 Y CA -0.099 58.039 58.100 0.063 0.000 1.287 375 Y CB 0.333 38.837 38.460 0.073 0.000 1.108 375 Y HN -0.043 nan 8.280 nan 0.000 0.529 376 R N -1.449 119.193 120.500 0.237 0.000 2.629 376 R HA 0.143 4.484 4.340 0.001 0.000 0.408 376 R C 0.447 176.933 176.300 0.308 0.000 1.057 376 R CA 0.069 56.321 56.100 0.253 0.000 1.119 376 R CB 0.071 30.505 30.300 0.224 0.000 1.403 376 R HN 0.276 nan 8.270 nan 0.000 0.576 377 H N 0.327 119.507 119.070 0.184 0.000 2.361 377 H HA 0.217 4.773 4.556 0.001 0.000 0.308 377 H C 0.339 175.883 175.328 0.361 0.000 1.053 377 H CA 0.537 56.743 56.048 0.264 0.000 1.377 377 H CB 0.493 30.290 29.762 0.059 0.000 1.434 377 H HN -0.055 nan 8.280 nan 0.000 0.548 378 N N 1.465 120.276 118.700 0.184 0.000 2.454 378 N HA 0.097 4.838 4.740 0.001 0.000 0.254 378 N C -0.680 174.809 175.510 -0.035 0.000 1.228 378 N CA 0.421 53.507 53.050 0.060 0.000 0.900 378 N CB 0.973 39.509 38.487 0.082 0.000 1.089 378 N HN 0.298 nan 8.380 nan 0.000 0.449 379 L N 1.735 122.873 121.223 -0.142 0.000 2.283 379 L HA 0.564 4.904 4.340 0.001 0.000 0.259 379 L C -2.040 174.730 176.870 -0.167 0.000 1.027 379 L CA -2.004 52.705 54.840 -0.219 0.000 0.828 379 L CB 1.507 43.306 42.059 -0.433 0.000 1.380 379 L HN 0.280 nan 8.230 nan 0.000 0.425 380 P HA 0.057 nan 4.420 nan 0.000 0.270 380 P C -0.896 176.300 177.300 -0.173 0.000 1.227 380 P CA -0.308 62.710 63.100 -0.136 0.000 0.788 380 P CB 0.351 31.983 31.700 -0.113 0.000 0.926 381 E N 0.964 121.033 120.200 -0.218 0.000 2.418 381 E HA -0.055 4.296 4.350 0.001 0.000 0.261 381 E C 0.094 176.456 176.600 -0.398 0.000 1.070 381 E CA 0.121 56.266 56.400 -0.424 0.000 0.931 381 E CB -0.058 29.247 29.700 -0.657 0.000 0.954 381 E HN 0.563 nan 8.360 nan 0.000 0.439 382 H N -1.568 117.477 119.070 -0.040 0.000 2.992 382 H HA -0.156 4.401 4.556 0.001 0.000 0.266 382 H C -0.033 175.266 175.328 -0.049 0.000 1.200 382 H CA 1.289 57.323 56.048 -0.023 0.000 1.135 382 H CB -2.448 27.312 29.762 -0.003 0.000 1.282 382 H HN 0.636 nan 8.280 nan 0.000 0.351 383 T N -2.680 111.845 114.554 -0.048 0.000 2.896 383 T HA 0.922 5.273 4.350 0.001 0.000 0.297 383 T C -0.294 174.301 174.700 -0.174 0.000 1.108 383 T CA -0.276 61.761 62.100 -0.106 0.000 1.004 383 T CB 3.410 72.181 68.868 -0.160 0.000 1.159 383 T HN 0.812 nan 8.240 nan 0.000 0.499 384 A N 0.444 123.144 122.820 -0.201 0.000 2.606 384 A HA 0.694 5.014 4.320 0.001 0.000 0.293 384 A C -1.720 175.756 177.584 -0.181 0.000 1.082 384 A CA -1.255 50.663 52.037 -0.199 0.000 0.685 384 A CB 0.868 19.793 19.000 -0.126 0.000 1.284 384 A HN 0.862 nan 8.150 nan 0.000 0.408 385 W N 0.203 121.447 121.300 -0.094 0.000 2.253 385 W HA 0.524 5.185 4.660 0.001 0.000 0.348 385 W C -0.179 176.295 176.519 -0.075 0.000 1.229 385 W CA -0.448 56.859 57.345 -0.062 0.000 1.335 385 W CB 1.464 30.887 29.460 -0.062 0.000 1.165 385 W HN 0.406 nan 8.180 nan 0.000 0.631 386 V N 3.965 124.036 119.914 0.262 0.000 2.304 386 V HA 0.180 4.301 4.120 0.001 0.000 0.278 386 V C -0.406 175.798 176.094 0.184 0.000 1.018 386 V CA -1.062 61.252 62.300 0.023 0.000 0.814 386 V CB 0.202 31.850 31.823 -0.292 0.000 1.021 386 V HN 0.414 nan 8.190 nan 0.000 0.440 387 N N 4.968 123.773 118.700 0.175 0.000 2.455 387 N HA 0.532 5.273 4.740 0.001 0.000 0.280 387 N C -0.753 174.936 175.510 0.298 0.000 1.055 387 N CA -0.186 52.987 53.050 0.204 0.000 0.961 387 N CB 1.803 40.346 38.487 0.092 0.000 1.121 387 N HN 0.692 nan 8.380 nan 0.000 0.476 388 Y N -2.078 118.248 120.300 0.043 0.000 2.669 388 Y HA 0.596 5.147 4.550 0.001 0.000 0.335 388 Y C 0.149 176.039 175.900 -0.016 0.000 1.116 388 Y CA -1.152 56.989 58.100 0.068 0.000 1.081 388 Y CB 0.261 38.829 38.460 0.180 0.000 1.297 388 Y HN 0.050 nan 8.280 nan 0.000 0.484 389 V N -0.111 119.791 119.914 -0.021 0.000 3.013 389 V HA 0.407 4.527 4.120 0.001 0.000 0.238 389 V C 0.343 176.527 176.094 0.150 0.000 1.161 389 V CA 0.486 62.692 62.300 -0.157 0.000 1.170 389 V CB 0.048 31.530 31.823 -0.568 0.000 0.917 389 V HN 0.715 nan 8.190 nan 0.000 0.478 390 R N -0.144 120.490 120.500 0.222 0.000 2.781 390 R HA 0.714 5.054 4.340 0.001 0.000 0.269 390 R C -0.794 175.580 176.300 0.123 0.000 1.025 390 R CA 0.163 56.304 56.100 0.069 0.000 0.914 390 R CB 2.088 32.315 30.300 -0.123 0.000 1.236 390 R HN 0.426 nan 8.270 nan 0.000 0.465 391 S N -1.094 114.477 115.700 -0.215 0.000 2.776 391 S HA 0.273 4.744 4.470 0.001 0.000 0.292 391 S C 0.787 175.160 174.600 -0.378 0.000 1.187 391 S CA -0.651 57.502 58.200 -0.079 0.000 0.834 391 S CB 0.919 64.126 63.200 0.013 0.000 1.199 391 S HN 0.795 nan 8.310 nan 0.000 0.514 392 H N -0.146 118.952 119.070 0.047 0.000 2.545 392 H HA 0.222 4.779 4.556 0.001 0.000 0.282 392 H C -0.521 174.861 175.328 0.091 0.000 1.020 392 H CA 0.671 56.844 56.048 0.209 0.000 1.243 392 H CB -0.493 29.458 29.762 0.314 0.000 1.377 392 H HN 0.451 nan 8.280 nan 0.000 0.581 393 D N 1.912 121.941 120.400 -0.617 0.000 2.440 393 D HA 0.066 4.706 4.640 0.001 0.000 0.258 393 D C 0.382 176.404 176.300 -0.463 0.000 1.092 393 D CA -0.481 53.224 54.000 -0.492 0.000 1.016 393 D CB 1.375 41.832 40.800 -0.573 0.000 1.141 393 D HN 0.338 nan 8.370 nan 0.000 0.552 394 D N -0.209 119.981 120.400 -0.349 0.000 2.354 394 D HA 0.041 4.682 4.640 0.001 0.000 0.238 394 D C 0.215 176.286 176.300 -0.382 0.000 1.250 394 D CA -0.014 53.794 54.000 -0.320 0.000 0.911 394 D CB 0.910 41.642 40.800 -0.113 0.000 1.163 394 D HN 0.252 nan 8.370 nan 0.000 0.456 395 I N -0.124 120.157 120.570 -0.481 0.000 2.336 395 I HA 0.363 4.534 4.170 0.001 0.000 0.292 395 I C 0.782 176.445 176.117 -0.757 0.000 0.991 395 I CA -0.563 60.340 61.300 -0.661 0.000 1.227 395 I CB 1.637 39.059 38.000 -0.963 0.000 1.366 395 I HN 0.395 nan 8.210 nan 0.000 0.466 396 G N 4.854 113.277 108.800 -0.630 0.000 2.416 396 G HA2 0.415 4.375 3.960 0.001 0.000 0.329 396 G HA3 0.415 4.375 3.960 0.001 0.000 0.329 396 G C -1.307 173.246 174.900 -0.578 0.000 1.173 396 G CA -0.525 44.242 45.100 -0.555 0.000 0.929 396 G HN 0.673 nan 8.290 nan 0.000 0.475 397 W N 2.282 123.569 121.300 -0.021 0.000 1.518 397 W HA 0.285 4.945 4.660 0.001 0.000 0.426 397 W C 1.220 177.618 176.519 -0.202 0.000 0.675 397 W CA -0.767 56.580 57.345 0.004 0.000 1.936 397 W CB 0.292 29.801 29.460 0.081 0.000 1.749 397 W HN 0.557 nan 8.180 nan 0.000 0.247 398 T N -1.328 113.235 114.554 0.014 0.000 3.535 398 T HA 0.107 4.458 4.350 0.001 0.000 0.238 398 T C 0.034 174.690 174.700 -0.074 0.000 0.909 398 T CA -0.605 61.446 62.100 -0.081 0.000 0.928 398 T CB -1.378 67.475 68.868 -0.026 0.000 1.134 398 T HN 0.159 nan 8.240 nan 0.000 0.627 399 F N 0.112 120.092 119.950 0.050 0.000 2.370 399 F HA 0.794 5.322 4.527 0.001 0.000 0.319 399 F C 0.320 176.047 175.800 -0.121 0.000 1.129 399 F CA -2.385 55.602 58.000 -0.022 0.000 1.109 399 F CB 0.255 39.273 39.000 0.030 0.000 1.262 399 F HN 0.146 nan 8.300 nan 0.000 0.534 400 A N 1.774 124.620 122.820 0.043 0.000 2.362 400 A HA 0.251 4.572 4.320 0.001 0.000 0.276 400 A C 0.753 178.410 177.584 0.121 0.000 1.153 400 A CA -0.509 51.435 52.037 -0.156 0.000 0.813 400 A CB -0.152 18.722 19.000 -0.209 0.000 1.081 400 A HN 0.844 nan 8.150 nan 0.000 0.507 401 D N 1.876 122.321 120.400 0.075 0.000 2.178 401 D HA -0.119 4.522 4.640 0.001 0.000 0.201 401 D C 1.544 177.855 176.300 0.019 0.000 0.980 401 D CA 1.736 55.813 54.000 0.128 0.000 0.842 401 D CB 0.058 40.918 40.800 0.099 0.000 0.948 401 D HN 0.762 nan 8.370 nan 0.000 0.472 402 E N 0.607 120.786 120.200 -0.034 0.000 2.077 402 E HA -0.128 4.223 4.350 0.001 0.000 0.193 402 E C 1.619 177.868 176.600 -0.584 0.000 0.989 402 E CA 1.007 57.255 56.400 -0.252 0.000 0.800 402 E CB -0.095 29.511 29.700 -0.157 0.000 0.746 402 E HN 0.233 nan 8.360 nan 0.000 0.452 403 D N 0.211 120.421 120.400 -0.316 0.000 2.097 403 D HA -0.117 4.524 4.640 0.001 0.000 0.195 403 D C 1.874 178.068 176.300 -0.177 0.000 0.989 403 D CA 1.577 55.424 54.000 -0.255 0.000 0.827 403 D CB -0.460 40.326 40.800 -0.023 0.000 0.966 403 D HN 0.210 nan 8.370 nan 0.000 0.456 404 A N 0.960 123.725 122.820 -0.091 0.000 1.933 404 A HA -0.057 4.264 4.320 0.001 0.000 0.218 404 A C 2.292 179.828 177.584 -0.079 0.000 1.175 404 A CA 2.179 54.155 52.037 -0.102 0.000 0.628 404 A CB -0.752 18.216 19.000 -0.053 0.000 0.814 404 A HN 0.231 nan 8.150 nan 0.000 0.444 405 A N -1.271 121.488 122.820 -0.101 0.000 1.978 405 A HA -0.141 4.180 4.320 0.001 0.000 0.220 405 A C 2.038 179.661 177.584 0.065 0.000 1.170 405 A CA 1.387 53.398 52.037 -0.043 0.000 0.636 405 A CB -0.884 18.074 19.000 -0.070 0.000 0.810 405 A HN 0.713 nan 8.150 nan 0.000 0.448 406 Y N -0.589 119.707 120.300 -0.006 0.000 2.421 406 Y HA -0.031 4.520 4.550 0.001 0.000 0.292 406 Y C 1.600 177.485 175.900 -0.025 0.000 1.136 406 Y CA 0.354 58.443 58.100 -0.019 0.000 1.255 406 Y CB -0.086 38.356 38.460 -0.030 0.000 0.991 406 Y HN 0.187 nan 8.280 nan 0.000 0.552 407 L N -0.773 120.515 121.223 0.108 0.000 2.628 407 L HA 0.265 4.606 4.340 0.001 0.000 0.229 407 L C 1.349 178.213 176.870 -0.010 0.000 1.137 407 L CA 0.427 55.283 54.840 0.027 0.000 0.909 407 L CB -0.093 41.948 42.059 -0.030 0.000 1.137 407 L HN 0.360 nan 8.230 nan 0.000 0.470 408 G N 1.381 110.187 108.800 0.011 0.000 2.147 408 G HA2 -0.275 3.686 3.960 0.001 0.000 0.244 408 G HA3 -0.275 3.686 3.960 0.001 0.000 0.244 408 G C 0.036 174.920 174.900 -0.028 0.000 1.005 408 G CA -0.054 45.045 45.100 -0.002 0.000 0.713 408 G HN 0.329 nan 8.290 nan 0.000 0.515 409 I N 0.962 121.500 120.570 -0.053 0.000 2.404 409 I HA 0.435 4.606 4.170 0.001 0.000 0.293 409 I C 0.637 176.747 176.117 -0.012 0.000 0.992 409 I CA -0.707 60.541 61.300 -0.086 0.000 1.149 409 I CB 2.002 39.851 38.000 -0.251 0.000 1.315 409 I HN 0.144 nan 8.210 nan 0.000 0.446 410 S N 4.388 120.117 115.700 0.048 0.000 2.416 410 S HA 0.252 4.722 4.470 0.001 0.000 0.287 410 S C 1.298 176.024 174.600 0.210 0.000 1.139 410 S CA -0.193 58.081 58.200 0.123 0.000 1.058 410 S CB 0.925 64.207 63.200 0.137 0.000 0.967 410 S HN 0.857 nan 8.310 nan 0.000 0.495 411 G N 4.168 113.122 108.800 0.258 0.000 2.491 411 G HA2 -0.270 3.691 3.960 0.001 0.000 0.218 411 G HA3 -0.270 3.691 3.960 0.001 0.000 0.218 411 G C 1.062 176.179 174.900 0.362 0.000 1.180 411 G CA 1.222 46.572 45.100 0.417 0.000 0.774 411 G HN 0.846 nan 8.290 nan 0.000 0.562 412 Y N 1.942 122.349 120.300 0.178 0.000 2.097 412 Y HA -0.160 4.391 4.550 0.001 0.000 0.282 412 Y C 2.586 178.583 175.900 0.162 0.000 1.152 412 Y CA 2.255 60.443 58.100 0.146 0.000 1.136 412 Y CB -0.154 38.368 38.460 0.103 0.000 0.975 412 Y HN 0.220 nan 8.280 nan 0.000 0.498 413 D N -1.398 119.206 120.400 0.340 0.000 2.144 413 D HA -0.192 4.449 4.640 0.001 0.000 0.199 413 D C 1.978 178.372 176.300 0.157 0.000 0.984 413 D CA 1.834 55.975 54.000 0.235 0.000 0.834 413 D CB -0.626 40.304 40.800 0.216 0.000 0.955 413 D HN 0.491 nan 8.370 nan 0.000 0.465 414 H N 0.974 120.104 119.070 0.100 0.000 2.353 414 H HA 0.061 4.618 4.556 0.001 0.000 0.300 414 H C 1.967 177.327 175.328 0.054 0.000 1.090 414 H CA 1.489 57.583 56.048 0.075 0.000 1.327 414 H CB 0.220 30.014 29.762 0.054 0.000 1.383 414 H HN -0.032 nan 8.280 nan 0.000 0.508 415 R N -0.193 120.364 120.500 0.094 0.000 2.120 415 R HA -0.116 4.225 4.340 0.001 0.000 0.234 415 R C 2.252 178.465 176.300 -0.146 0.000 1.123 415 R CA 1.154 57.210 56.100 -0.073 0.000 0.975 415 R CB -0.017 30.303 30.300 0.034 0.000 0.866 415 R HN 0.457 nan 8.270 nan 0.000 0.446 416 Q N 0.065 119.789 119.800 -0.127 0.000 2.096 416 Q HA -0.185 4.156 4.340 0.001 0.000 0.204 416 Q C 1.913 177.878 176.000 -0.059 0.000 0.982 416 Q CA 1.432 57.186 55.803 -0.082 0.000 0.850 416 Q CB -0.366 28.352 28.738 -0.034 0.000 0.901 416 Q HN 0.315 nan 8.270 nan 0.000 0.422 417 F N 1.146 120.967 119.950 -0.216 0.000 2.084 417 F HA -0.147 4.381 4.527 0.001 0.000 0.296 417 F C 2.030 177.614 175.800 -0.360 0.000 1.111 417 F CA 1.065 58.885 58.000 -0.301 0.000 1.224 417 F CB -0.469 38.270 39.000 -0.435 0.000 0.991 417 F HN -0.045 nan 8.300 nan 0.000 0.471 418 L N 0.417 121.172 121.223 -0.780 0.000 2.042 418 L HA -0.290 4.051 4.340 0.001 0.000 0.210 418 L C 2.142 178.818 176.870 -0.323 0.000 1.076 418 L CA 2.121 56.444 54.840 -0.862 0.000 0.749 418 L CB -1.042 40.263 42.059 -1.256 0.000 0.893 418 L HN 0.275 nan 8.230 nan 0.000 0.432 419 N N -0.582 118.040 118.700 -0.131 0.000 2.142 419 N HA -0.142 4.598 4.740 0.001 0.000 0.186 419 N C 1.950 177.479 175.510 0.032 0.000 1.023 419 N CA 0.826 53.963 53.050 0.144 0.000 0.852 419 N CB 0.015 38.601 38.487 0.166 0.000 0.998 419 N HN 0.245 nan 8.380 nan 0.000 0.424 420 R N -0.082 120.360 120.500 -0.097 0.000 2.075 420 R HA -0.098 4.243 4.340 0.001 0.000 0.232 420 R C 1.908 178.133 176.300 -0.125 0.000 1.126 420 R CA 1.033 57.091 56.100 -0.070 0.000 0.963 420 R CB -0.438 29.857 30.300 -0.008 0.000 0.858 420 R HN 0.246 nan 8.270 nan 0.000 0.435 421 F N 0.601 120.219 119.950 -0.555 0.000 2.102 421 F HA -0.178 4.350 4.527 0.001 0.000 0.298 421 F C 1.563 177.036 175.800 -0.545 0.000 1.105 421 F CA 1.480 59.056 58.000 -0.706 0.000 1.239 421 F CB -0.169 37.989 39.000 -1.403 0.000 0.991 421 F HN -0.137 nan 8.300 nan 0.000 0.474 422 F N -0.202 119.759 119.950 0.018 0.000 2.748 422 F HA 0.027 4.554 4.527 0.001 0.000 0.299 422 F C 1.735 177.516 175.800 -0.032 0.000 1.154 422 F CA 0.777 58.801 58.000 0.041 0.000 1.446 422 F CB -0.500 38.623 39.000 0.205 0.000 1.112 422 F HN -0.028 nan 8.300 nan 0.000 0.584 423 V N -2.985 116.970 119.914 0.068 0.000 3.214 423 V HA 0.323 4.444 4.120 0.001 0.000 0.330 423 V C 0.617 176.696 176.094 -0.025 0.000 1.403 423 V CA -0.122 62.207 62.300 0.050 0.000 1.143 423 V CB -0.825 31.039 31.823 0.068 0.000 1.098 423 V HN 0.358 nan 8.190 nan 0.000 0.463 424 N N 2.133 120.756 118.700 -0.128 0.000 2.738 424 N HA -0.194 4.547 4.740 0.001 0.000 0.249 424 N C 0.239 175.689 175.510 -0.100 0.000 1.047 424 N CA 0.789 53.739 53.050 -0.167 0.000 0.707 424 N CB -0.652 37.775 38.487 -0.100 0.000 0.937 424 N HN 0.591 nan 8.380 nan 0.000 0.545 425 R N 0.342 120.797 120.500 -0.075 0.000 2.700 425 R HA 0.339 4.680 4.340 0.001 0.000 0.399 425 R C -0.679 175.656 176.300 0.060 0.000 1.115 425 R CA -0.197 55.894 56.100 -0.016 0.000 1.058 425 R CB -0.642 29.656 30.300 -0.003 0.000 1.389 425 R HN 0.328 nan 8.270 nan 0.000 0.582 426 F N 0.393 120.249 119.950 -0.158 0.000 2.573 426 F HA 0.239 4.767 4.527 0.001 0.000 0.316 426 F C -0.493 175.253 175.800 -0.091 0.000 1.148 426 F CA -1.759 56.190 58.000 -0.085 0.000 0.940 426 F CB 1.575 40.540 39.000 -0.058 0.000 1.214 426 F HN 0.008 nan 8.300 nan 0.000 0.448 427 D N 3.927 123.973 120.400 -0.591 0.000 2.586 427 D HA 0.354 4.995 4.640 0.001 0.000 0.234 427 D C 1.170 177.365 176.300 -0.174 0.000 1.132 427 D CA 2.388 56.170 54.000 -0.364 0.000 0.860 427 D CB 0.646 41.213 40.800 -0.388 0.000 1.159 427 D HN 1.052 nan 8.370 nan 0.000 0.490 428 G N 2.592 111.354 108.800 -0.063 0.000 2.205 428 G HA2 -0.310 3.650 3.960 0.001 0.000 0.261 428 G HA3 -0.310 3.650 3.960 0.001 0.000 0.261 428 G C 0.520 175.417 174.900 -0.005 0.000 0.980 428 G CA 0.372 45.492 45.100 0.033 0.000 0.632 428 G HN 0.881 nan 8.290 nan 0.000 0.533 429 S N 0.345 115.925 115.700 -0.199 0.000 2.552 429 S HA 0.402 4.873 4.470 0.001 0.000 0.289 429 S C 1.319 175.630 174.600 -0.481 0.000 1.304 429 S CA 0.599 58.335 58.200 -0.773 0.000 1.063 429 S CB -0.003 62.456 63.200 -1.235 0.000 0.848 429 S HN 1.129 nan 8.310 nan 0.000 0.499 430 F N 2.488 122.297 119.950 -0.234 0.000 2.727 430 F HA 0.588 5.116 4.527 0.001 0.000 0.302 430 F C 0.739 176.514 175.800 -0.042 0.000 1.097 430 F CA -0.673 57.299 58.000 -0.047 0.000 1.330 430 F CB -0.884 38.168 39.000 0.087 0.000 1.084 430 F HN 0.538 nan 8.300 nan 0.000 0.578 431 A N 1.593 124.291 122.820 -0.203 0.000 2.354 431 A HA 0.652 4.973 4.320 0.001 0.000 0.269 431 A C 0.573 178.166 177.584 0.016 0.000 1.109 431 A CA -0.636 51.432 52.037 0.052 0.000 0.800 431 A CB 0.399 19.394 19.000 -0.009 0.000 1.045 431 A HN 0.309 nan 8.150 nan 0.000 0.489 432 R N 2.229 122.798 120.500 0.114 0.000 2.886 432 R HA 0.246 4.587 4.340 0.001 0.000 0.306 432 R C 0.418 176.775 176.300 0.096 0.000 1.300 432 R CA 0.081 56.231 56.100 0.083 0.000 1.441 432 R CB 0.592 30.948 30.300 0.093 0.000 1.328 432 R HN 0.824 nan 8.270 nan 0.000 0.629 433 G N -0.245 108.615 108.800 0.100 0.000 2.535 433 G HA2 0.489 4.449 3.960 0.001 0.000 0.303 433 G HA3 0.489 4.449 3.960 0.001 0.000 0.303 433 G C -0.625 174.329 174.900 0.089 0.000 1.237 433 G CA -0.248 44.901 45.100 0.082 0.000 0.986 433 G HN 0.030 nan 8.290 nan 0.000 0.494 434 V N 0.862 120.822 119.914 0.076 0.000 2.656 434 V HA 0.376 4.496 4.120 0.001 0.000 0.307 434 V C -2.266 173.896 176.094 0.114 0.000 1.051 434 V CA -1.504 60.861 62.300 0.108 0.000 0.893 434 V CB 2.328 34.224 31.823 0.120 0.000 0.999 434 V HN 0.547 nan 8.190 nan 0.000 0.426 435 P HA 0.221 nan 4.420 nan 0.000 0.269 435 P C -1.198 176.251 177.300 0.248 0.000 1.209 435 P CA 0.090 63.292 63.100 0.171 0.000 0.776 435 P CB 0.250 32.035 31.700 0.143 0.000 0.876 436 F N 2.686 122.665 119.950 0.048 0.000 2.617 436 F HA 0.242 4.769 4.527 0.001 0.000 0.325 436 F C -0.551 175.293 175.800 0.073 0.000 1.179 436 F CA -0.381 57.635 58.000 0.027 0.000 0.965 436 F CB 1.064 40.042 39.000 -0.037 0.000 1.232 436 F HN 0.246 nan 8.300 nan 0.000 0.461 437 Q N 4.303 123.803 119.800 -0.501 0.000 2.459 437 Q HA -0.295 4.045 4.340 0.001 0.000 0.322 437 Q C -1.196 174.745 176.000 -0.098 0.000 1.427 437 Q CA 0.641 56.212 55.803 -0.387 0.000 0.861 437 Q CB -2.154 26.247 28.738 -0.562 0.000 1.137 437 Q HN 0.737 nan 8.270 nan 0.000 0.394 438 Y N 1.532 121.787 120.300 -0.075 0.000 2.496 438 Y HA 0.263 4.814 4.550 0.001 0.000 0.334 438 Y C 0.188 176.076 175.900 -0.020 0.000 1.080 438 Y CA -0.695 57.395 58.100 -0.016 0.000 1.355 438 Y CB 0.559 39.031 38.460 0.019 0.000 1.193 438 Y HN 0.195 nan 8.280 nan 0.000 0.523 439 N N 8.841 127.160 118.700 -0.636 0.000 2.546 439 N HA 0.274 5.015 4.740 0.001 0.000 0.238 439 N C -2.237 172.816 175.510 -0.763 0.000 0.984 439 N CA -2.300 50.422 53.050 -0.546 0.000 0.935 439 N CB 1.667 40.002 38.487 -0.253 0.000 1.122 439 N HN 0.401 nan 8.380 nan 0.000 0.510 440 P HA -0.134 nan 4.420 nan 0.000 0.217 440 P C 1.030 178.242 177.300 -0.148 0.000 1.148 440 P CA 1.346 64.207 63.100 -0.399 0.000 0.828 440 P CB 0.289 31.894 31.700 -0.159 0.000 0.783 441 S N -2.713 112.908 115.700 -0.131 0.000 2.528 441 S HA -0.003 4.467 4.470 0.001 0.000 0.219 441 S C 1.546 176.136 174.600 -0.017 0.000 0.985 441 S CA 1.202 59.371 58.200 -0.052 0.000 0.914 441 S CB -1.216 61.954 63.200 -0.049 0.000 0.776 441 S HN 0.275 nan 8.310 nan 0.000 0.526 442 T N -4.289 110.251 114.554 -0.023 0.000 2.966 442 T HA 0.538 4.888 4.350 0.001 0.000 0.254 442 T C 1.599 176.406 174.700 0.177 0.000 0.961 442 T CA 0.729 62.865 62.100 0.061 0.000 0.915 442 T CB 0.068 68.954 68.868 0.030 0.000 1.186 442 T HN 1.104 nan 8.240 nan 0.000 0.505 443 G N 1.492 110.356 108.800 0.106 0.000 2.176 443 G HA2 -0.231 3.729 3.960 0.001 0.000 0.253 443 G HA3 -0.231 3.729 3.960 0.001 0.000 0.253 443 G C -0.197 174.795 174.900 0.153 0.000 0.979 443 G CA 0.183 45.425 45.100 0.236 0.000 0.641 443 G HN 0.835 nan 8.290 nan 0.000 0.530 444 D N -0.472 119.969 120.400 0.067 0.000 2.372 444 D HA 0.574 5.215 4.640 0.001 0.000 0.243 444 D C 0.243 176.615 176.300 0.121 0.000 1.121 444 D CA 0.686 54.725 54.000 0.066 0.000 0.898 444 D CB 1.007 41.822 40.800 0.024 0.000 1.202 444 D HN 0.601 nan 8.370 nan 0.000 0.428 445 C N 2.650 122.044 119.300 0.157 0.000 3.241 445 C HA 0.646 5.106 4.460 0.001 0.000 0.348 445 C C -1.224 173.856 174.990 0.149 0.000 1.180 445 C CA -0.610 58.520 59.018 0.186 0.000 1.273 445 C CB 0.701 28.615 27.740 0.290 0.000 1.620 445 C HN 0.815 nan 8.230 nan 0.000 0.510 446 R N 1.861 122.424 120.500 0.105 0.000 2.923 446 R HA 0.890 5.231 4.340 0.001 0.000 0.252 446 R C -1.235 175.109 176.300 0.075 0.000 1.130 446 R CA -0.546 55.567 56.100 0.021 0.000 1.043 446 R CB 1.494 31.831 30.300 0.062 0.000 1.205 446 R HN 0.505 nan 8.270 nan 0.000 0.495 447 V N 0.609 120.470 119.914 -0.089 0.000 2.495 447 V HA 0.487 4.608 4.120 0.001 0.000 0.298 447 V C -0.528 175.472 176.094 -0.158 0.000 1.031 447 V CA -0.657 61.601 62.300 -0.070 0.000 0.871 447 V CB 1.921 33.678 31.823 -0.109 0.000 0.988 447 V HN 0.718 nan 8.190 nan 0.000 0.432 448 S N 2.001 117.657 115.700 -0.074 0.000 2.578 448 S HA 0.969 5.440 4.470 0.001 0.000 0.301 448 S C 0.165 174.751 174.600 -0.024 0.000 1.091 448 S CA -0.035 58.139 58.200 -0.042 0.000 1.032 448 S CB 1.804 64.894 63.200 -0.183 0.000 1.064 448 S HN 1.516 nan 8.310 nan 0.000 0.508 449 G N 1.153 110.012 108.800 0.098 0.000 2.316 449 G HA2 0.284 4.245 3.960 0.001 0.000 0.468 449 G HA3 0.284 4.245 3.960 0.001 0.000 0.468 449 G C -0.512 174.332 174.900 -0.093 0.000 1.523 449 G CA -0.473 44.625 45.100 -0.004 0.000 0.972 449 G HN 0.874 nan 8.290 nan 0.000 0.667 450 T N -0.617 113.948 114.554 0.018 0.000 2.828 450 T HA 0.636 4.986 4.350 0.001 0.000 0.290 450 T C 1.945 176.661 174.700 0.027 0.000 1.019 450 T CA 0.812 62.932 62.100 0.033 0.000 1.031 450 T CB 1.550 70.516 68.868 0.165 0.000 1.001 450 T HN 2.106 nan 8.240 nan 0.000 0.531 451 A N 1.405 124.304 122.820 0.131 0.000 1.917 451 A HA 0.080 4.401 4.320 0.001 0.000 0.219 451 A C 2.649 180.438 177.584 0.342 0.000 1.182 451 A CA 2.056 54.293 52.037 0.334 0.000 0.633 451 A CB -1.570 17.706 19.000 0.460 0.000 0.819 451 A HN 1.284 nan 8.150 nan 0.000 0.448 452 A N -0.486 122.483 122.820 0.249 0.000 1.930 452 A HA 0.224 4.545 4.320 0.001 0.000 0.217 452 A C 2.441 180.136 177.584 0.184 0.000 1.175 452 A CA 1.888 54.046 52.037 0.202 0.000 0.627 452 A CB -0.818 18.277 19.000 0.158 0.000 0.815 452 A HN 1.044 nan 8.150 nan 0.000 0.443 453 A N -0.399 122.518 122.820 0.162 0.000 1.968 453 A HA 0.111 4.432 4.320 0.001 0.000 0.217 453 A C 2.024 179.724 177.584 0.193 0.000 1.169 453 A CA 1.181 53.307 52.037 0.149 0.000 0.638 453 A CB -0.454 18.614 19.000 0.115 0.000 0.812 453 A HN 0.451 nan 8.150 nan 0.000 0.446 454 L N 0.002 121.345 121.223 0.199 0.000 2.395 454 L HA -0.060 4.280 4.340 0.001 0.000 0.218 454 L C 2.089 179.358 176.870 0.666 0.000 1.130 454 L CA 0.947 55.979 54.840 0.320 0.000 0.826 454 L CB -0.132 41.845 42.059 -0.137 0.000 0.941 454 L HN 0.424 nan 8.230 nan 0.000 0.451 455 V N -4.202 116.024 119.914 0.519 0.000 3.647 455 V HA 0.482 4.603 4.120 0.001 0.000 0.279 455 V C 1.266 177.467 176.094 0.177 0.000 1.314 455 V CA 0.475 62.993 62.300 0.364 0.000 1.125 455 V CB 0.001 31.924 31.823 0.167 0.000 0.907 455 V HN 0.426 nan 8.190 nan 0.000 0.434 456 G N 0.626 109.587 108.800 0.269 0.000 2.144 456 G HA2 -0.236 3.725 3.960 0.001 0.000 0.218 456 G HA3 -0.236 3.725 3.960 0.001 0.000 0.218 456 G C 0.345 175.310 174.900 0.108 0.000 0.988 456 G CA 0.297 45.515 45.100 0.197 0.000 0.659 456 G HN 0.550 nan 8.290 nan 0.000 0.522 457 L N 0.982 122.265 121.223 0.099 0.000 2.201 457 L HA 0.491 4.831 4.340 0.001 0.000 0.212 457 L C 2.852 179.762 176.870 0.066 0.000 1.105 457 L CA 2.855 57.736 54.840 0.067 0.000 0.775 457 L CB -0.619 41.482 42.059 0.071 0.000 0.913 457 L HN 0.652 nan 8.230 nan 0.000 0.440 458 A N -0.496 122.374 122.820 0.084 0.000 1.940 458 A HA -0.199 4.122 4.320 0.001 0.000 0.219 458 A C 1.951 179.570 177.584 0.059 0.000 1.176 458 A CA 1.690 53.771 52.037 0.074 0.000 0.631 458 A CB -0.492 18.560 19.000 0.086 0.000 0.814 458 A HN 0.682 nan 8.150 nan 0.000 0.446 459 Q N -1.179 118.658 119.800 0.062 0.000 2.220 459 Q HA 0.085 4.425 4.340 0.001 0.000 0.205 459 Q C -1.004 175.018 176.000 0.037 0.000 0.865 459 Q CA 0.581 56.413 55.803 0.049 0.000 0.960 459 Q CB -0.190 28.582 28.738 0.056 0.000 1.097 459 Q HN 0.554 nan 8.270 nan 0.000 0.493 460 D N 1.842 122.262 120.400 0.033 0.000 2.746 460 D HA -0.145 4.495 4.640 0.001 0.000 0.236 460 D C -0.712 175.589 176.300 0.002 0.000 1.129 460 D CA 1.055 55.064 54.000 0.014 0.000 0.691 460 D CB -1.018 39.787 40.800 0.007 0.000 1.077 460 D HN 0.524 nan 8.370 nan 0.000 0.432 461 D N 1.055 121.463 120.400 0.013 0.000 2.487 461 D HA -0.002 4.639 4.640 0.001 0.000 0.243 461 D C -0.749 175.511 176.300 -0.066 0.000 1.154 461 D CA -0.997 53.001 54.000 -0.003 0.000 0.876 461 D CB 1.180 41.997 40.800 0.029 0.000 1.161 461 D HN 0.088 nan 8.370 nan 0.000 0.478 462 P HA -0.129 nan 4.420 nan 0.000 0.228 462 P C 0.411 177.559 177.300 -0.254 0.000 1.151 462 P CA 1.205 64.179 63.100 -0.209 0.000 0.770 462 P CB 0.070 31.605 31.700 -0.275 0.000 0.786 463 H N -1.166 117.855 119.070 -0.082 0.000 2.575 463 H HA 0.332 4.888 4.556 0.001 0.000 0.267 463 H C 2.160 177.310 175.328 -0.296 0.000 0.966 463 H CA 0.345 56.296 56.048 -0.161 0.000 1.165 463 H CB 0.109 29.776 29.762 -0.158 0.000 1.433 463 H HN 0.050 nan 8.280 nan 0.000 0.544 464 A N 0.716 123.463 122.820 -0.122 0.000 1.869 464 A HA -0.222 4.099 4.320 0.001 0.000 0.218 464 A C 2.394 179.919 177.584 -0.099 0.000 1.203 464 A CA 2.164 54.128 52.037 -0.122 0.000 0.638 464 A CB -1.054 17.923 19.000 -0.039 0.000 0.831 464 A HN 0.242 nan 8.150 nan 0.000 0.450 465 V N 0.598 120.476 119.914 -0.059 0.000 2.332 465 V HA -0.271 3.850 4.120 0.001 0.000 0.248 465 V C 2.196 178.253 176.094 -0.061 0.000 1.055 465 V CA 2.400 64.679 62.300 -0.036 0.000 1.038 465 V CB -0.862 30.948 31.823 -0.022 0.000 0.651 465 V HN 0.537 nan 8.190 nan 0.000 0.450 466 D N -0.413 119.937 120.400 -0.083 0.000 2.144 466 D HA -0.124 4.517 4.640 0.001 0.000 0.200 466 D C 2.406 178.587 176.300 -0.199 0.000 0.978 466 D CA 1.017 54.963 54.000 -0.090 0.000 0.833 466 D CB -0.214 40.587 40.800 0.001 0.000 0.961 466 D HN 0.395 nan 8.370 nan 0.000 0.470 467 R N 0.228 120.504 120.500 -0.372 0.000 2.081 467 R HA -0.028 4.313 4.340 0.001 0.000 0.235 467 R C 2.551 178.713 176.300 -0.230 0.000 1.131 467 R CA 0.697 56.514 56.100 -0.471 0.000 0.960 467 R CB -0.222 29.727 30.300 -0.584 0.000 0.856 467 R HN 0.219 nan 8.270 nan 0.000 0.436 468 I N 0.896 121.406 120.570 -0.100 0.000 2.226 468 I HA -0.322 3.849 4.170 0.001 0.000 0.245 468 I C 2.612 178.777 176.117 0.081 0.000 1.100 468 I CA 1.341 62.666 61.300 0.042 0.000 1.374 468 I CB -0.289 37.784 38.000 0.121 0.000 1.057 468 I HN 0.175 nan 8.210 nan 0.000 0.413 469 K N 1.058 121.465 120.400 0.011 0.000 2.057 469 K HA -0.236 4.084 4.320 0.001 0.000 0.207 469 K C 2.242 178.824 176.600 -0.030 0.000 1.049 469 K CA 1.454 57.742 56.287 0.002 0.000 0.931 469 K CB -0.130 32.338 32.500 -0.054 0.000 0.714 469 K HN 0.123 nan 8.250 nan 0.000 0.440 470 L N 1.680 122.840 121.223 -0.104 0.000 2.017 470 L HA -0.152 4.188 4.340 0.001 0.000 0.208 470 L C 1.968 178.770 176.870 -0.115 0.000 1.073 470 L CA 1.561 56.306 54.840 -0.158 0.000 0.745 470 L CB -0.465 41.413 42.059 -0.302 0.000 0.894 470 L HN 0.229 nan 8.230 nan 0.000 0.432 471 L N -1.825 119.303 121.223 -0.158 0.000 1.989 471 L HA -0.268 4.073 4.340 0.001 0.000 0.211 471 L C 2.553 179.331 176.870 -0.153 0.000 1.071 471 L CA 1.618 56.331 54.840 -0.212 0.000 0.749 471 L CB -0.939 40.864 42.059 -0.427 0.000 0.890 471 L HN 0.242 nan 8.230 nan 0.000 0.431 472 Y N 0.534 120.826 120.300 -0.015 0.000 2.274 472 Y HA -0.252 4.299 4.550 0.001 0.000 0.290 472 Y C 3.111 179.068 175.900 0.095 0.000 1.145 472 Y CA 1.467 59.592 58.100 0.041 0.000 1.203 472 Y CB -0.535 37.948 38.460 0.038 0.000 0.984 472 Y HN 0.319 nan 8.280 nan 0.000 0.533 473 S N -0.204 115.631 115.700 0.225 0.000 2.382 473 S HA -0.210 4.260 4.470 0.001 0.000 0.228 473 S C 1.949 176.833 174.600 0.473 0.000 1.027 473 S CA 1.591 59.998 58.200 0.344 0.000 0.991 473 S CB -0.949 62.334 63.200 0.140 0.000 0.823 473 S HN 0.485 nan 8.310 nan 0.000 0.469 474 I N 2.043 122.799 120.570 0.310 0.000 2.353 474 I HA -0.054 4.117 4.170 0.001 0.000 0.248 474 I C 3.025 179.226 176.117 0.141 0.000 1.119 474 I CA 1.030 62.502 61.300 0.288 0.000 1.417 474 I CB -0.560 37.583 38.000 0.238 0.000 1.078 474 I HN 0.445 nan 8.210 nan 0.000 0.421 475 A N 0.641 123.519 122.820 0.096 0.000 1.968 475 A HA -0.056 4.265 4.320 0.001 0.000 0.217 475 A C 2.199 179.847 177.584 0.107 0.000 1.169 475 A CA 1.133 53.209 52.037 0.064 0.000 0.638 475 A CB -0.571 18.448 19.000 0.031 0.000 0.812 475 A HN 0.391 nan 8.150 nan 0.000 0.446 476 L N -0.029 121.292 121.223 0.163 0.000 2.418 476 L HA -0.024 4.317 4.340 0.001 0.000 0.218 476 L C 2.202 179.069 176.870 -0.004 0.000 1.125 476 L CA 1.213 56.117 54.840 0.107 0.000 0.835 476 L CB 0.092 42.255 42.059 0.173 0.000 0.953 476 L HN 0.544 nan 8.230 nan 0.000 0.454 477 S N -3.488 112.252 115.700 0.067 0.000 2.632 477 S HA -0.011 4.460 4.470 0.001 0.000 0.237 477 S C 1.659 176.325 174.600 0.110 0.000 1.037 477 S CA 0.256 58.483 58.200 0.045 0.000 1.009 477 S CB -0.139 62.981 63.200 -0.132 0.000 0.974 477 S HN 0.348 nan 8.310 nan 0.000 0.544 478 T N -0.782 113.747 114.554 -0.041 0.000 2.995 478 T HA 0.438 4.789 4.350 0.001 0.000 0.269 478 T C 1.238 175.874 174.700 -0.106 0.000 1.091 478 T CA 0.591 62.495 62.100 -0.326 0.000 1.128 478 T CB -0.643 67.947 68.868 -0.464 0.000 0.891 478 T HN 1.490 nan 8.240 nan 0.000 0.492 479 G N -0.543 108.314 108.800 0.095 0.000 3.393 479 G HA2 0.503 4.464 3.960 0.001 0.000 0.676 479 G HA3 0.503 4.464 3.960 0.001 0.000 0.676 479 G C -0.099 174.943 174.900 0.237 0.000 1.224 479 G CA -0.649 44.567 45.100 0.194 0.000 1.109 479 G HN 1.526 nan 8.290 nan 0.000 0.519 480 G N -0.256 108.619 108.800 0.125 0.000 2.369 480 G HA2 0.479 4.440 3.960 0.001 0.000 0.295 480 G HA3 0.479 4.440 3.960 0.001 0.000 0.295 480 G C -0.968 173.947 174.900 0.024 0.000 1.298 480 G CA -0.312 44.846 45.100 0.096 0.000 0.940 480 G HN 1.674 nan 8.290 nan 0.000 0.536 481 L N 2.632 123.837 121.223 -0.030 0.000 2.261 481 L HA 0.512 4.853 4.340 0.001 0.000 0.289 481 L C -1.697 175.109 176.870 -0.107 0.000 1.059 481 L CA -1.994 52.775 54.840 -0.119 0.000 0.816 481 L CB 1.486 43.404 42.059 -0.236 0.000 1.191 481 L HN 0.390 nan 8.230 nan 0.000 0.431 482 P HA 0.115 nan 4.420 nan 0.000 0.280 482 P C -1.239 176.039 177.300 -0.037 0.000 1.244 482 P CA -0.495 62.610 63.100 0.009 0.000 0.784 482 P CB 1.813 33.548 31.700 0.059 0.000 0.913 483 L N 4.985 126.245 121.223 0.062 0.000 2.343 483 L HA 0.460 4.801 4.340 0.001 0.000 0.278 483 L C -0.580 176.459 176.870 0.282 0.000 0.996 483 L CA -0.786 54.097 54.840 0.072 0.000 0.831 483 L CB 0.786 42.860 42.059 0.026 0.000 1.232 483 L HN 0.250 nan 8.230 nan 0.000 0.413 484 I N 4.882 125.604 120.570 0.254 0.000 2.342 484 I HA 0.145 4.316 4.170 0.001 0.000 0.291 484 I C -0.878 175.446 176.117 0.345 0.000 1.010 484 I CA -0.665 60.847 61.300 0.353 0.000 1.308 484 I CB 0.922 39.001 38.000 0.132 0.000 1.400 484 I HN 0.567 nan 8.210 nan 0.000 0.488 485 Y N 7.562 128.073 120.300 0.351 0.000 2.585 485 Y HA 0.288 4.838 4.550 0.001 0.000 0.354 485 Y C 0.095 176.150 175.900 0.258 0.000 1.024 485 Y CA -0.411 57.858 58.100 0.283 0.000 1.321 485 Y CB 0.115 38.762 38.460 0.312 0.000 1.151 485 Y HN 0.376 nan 8.280 nan 0.000 0.525 486 L N 6.489 127.659 121.223 -0.089 0.000 2.601 486 L HA 0.031 4.371 4.340 0.001 0.000 0.277 486 L C 1.284 178.277 176.870 0.205 0.000 1.219 486 L CA 1.494 56.356 54.840 0.037 0.000 0.915 486 L CB -0.141 41.768 42.059 -0.250 0.000 1.160 486 L HN 1.055 nan 8.230 nan 0.000 0.494 487 G N 1.745 110.809 108.800 0.439 0.000 2.391 487 G HA2 -0.230 3.730 3.960 0.001 0.000 0.204 487 G HA3 -0.230 3.730 3.960 0.001 0.000 0.204 487 G C 0.676 175.734 174.900 0.265 0.000 1.012 487 G CA 0.084 45.436 45.100 0.419 0.000 0.651 487 G HN 0.595 nan 8.290 nan 0.000 0.494 488 D N 1.523 122.114 120.400 0.318 0.000 2.219 488 D HA -0.006 4.635 4.640 0.001 0.000 0.205 488 D C 2.402 178.790 176.300 0.146 0.000 0.970 488 D CA 1.307 55.482 54.000 0.292 0.000 0.851 488 D CB -0.096 40.970 40.800 0.443 0.000 0.943 488 D HN 0.717 nan 8.370 nan 0.000 0.488 489 E N 0.930 121.200 120.200 0.116 0.000 2.515 489 E HA -0.097 4.254 4.350 0.001 0.000 0.201 489 E C 1.218 177.879 176.600 0.102 0.000 1.071 489 E CA 0.621 57.077 56.400 0.094 0.000 0.880 489 E CB -0.035 29.802 29.700 0.227 0.000 0.828 489 E HN 0.303 nan 8.360 nan 0.000 0.540 490 V N -4.524 115.369 119.914 -0.035 0.000 3.337 490 V HA 0.519 4.639 4.120 0.001 0.000 0.307 490 V C 1.006 177.047 176.094 -0.089 0.000 1.505 490 V CA -0.075 62.132 62.300 -0.155 0.000 1.072 490 V CB 0.103 31.592 31.823 -0.557 0.000 0.929 490 V HN 0.174 nan 8.190 nan 0.000 0.455 491 G N 1.055 109.859 108.800 0.007 0.000 2.198 491 G HA2 -0.238 3.722 3.960 0.001 0.000 0.257 491 G HA3 -0.238 3.722 3.960 0.001 0.000 0.257 491 G C 0.107 175.040 174.900 0.055 0.000 1.042 491 G CA 0.324 45.454 45.100 0.050 0.000 0.791 491 G HN 0.694 nan 8.290 nan 0.000 0.502 492 T N 1.140 115.735 114.554 0.068 0.000 2.871 492 T HA 0.388 4.739 4.350 0.001 0.000 0.296 492 T C 1.385 176.167 174.700 0.137 0.000 0.998 492 T CA 0.268 62.424 62.100 0.093 0.000 1.162 492 T CB 0.885 69.843 68.868 0.149 0.000 0.947 492 T HN 0.411 nan 8.240 nan 0.000 0.536 493 L N 2.758 124.050 121.223 0.115 0.000 2.567 493 L HA 0.392 4.733 4.340 0.001 0.000 0.238 493 L C 1.117 178.075 176.870 0.147 0.000 1.168 493 L CA -1.346 53.569 54.840 0.125 0.000 0.817 493 L CB 0.238 42.357 42.059 0.100 0.000 1.409 493 L HN 0.490 nan 8.230 nan 0.000 0.502 494 N N 0.559 119.345 118.700 0.144 0.000 2.381 494 N HA -0.044 4.696 4.740 0.001 0.000 0.241 494 N C -0.402 175.215 175.510 0.179 0.000 1.279 494 N CA -0.012 53.133 53.050 0.159 0.000 0.896 494 N CB 0.199 38.781 38.487 0.159 0.000 1.118 494 N HN 0.473 nan 8.380 nan 0.000 0.438 495 D N 0.863 121.391 120.400 0.214 0.000 2.558 495 D HA 0.011 4.652 4.640 0.001 0.000 0.221 495 D C 0.034 176.536 176.300 0.337 0.000 1.143 495 D CA -0.393 53.752 54.000 0.241 0.000 1.010 495 D CB -0.235 40.721 40.800 0.259 0.000 1.068 495 D HN 0.427 nan 8.370 nan 0.000 0.511 496 D N 0.991 121.532 120.400 0.236 0.000 2.254 496 D HA -0.252 4.389 4.640 0.001 0.000 0.201 496 D C 0.403 176.757 176.300 0.091 0.000 0.998 496 D CA 1.107 55.223 54.000 0.193 0.000 0.885 496 D CB 0.056 40.920 40.800 0.107 0.000 0.915 496 D HN 0.225 nan 8.370 nan 0.000 0.460 497 D N -0.541 119.902 120.400 0.072 0.000 2.358 497 D HA 0.019 4.659 4.640 0.001 0.000 0.224 497 D C 1.313 177.565 176.300 -0.081 0.000 1.123 497 D CA -0.248 53.722 54.000 -0.051 0.000 0.833 497 D CB -0.626 40.160 40.800 -0.022 0.000 0.946 497 D HN 0.578 nan 8.370 nan 0.000 0.505 498 W N 1.292 122.601 121.300 0.015 0.000 2.363 498 W HA -0.162 4.499 4.660 0.001 0.000 0.296 498 W C 1.246 177.756 176.519 -0.015 0.000 1.212 498 W CA 1.165 58.513 57.345 0.005 0.000 1.260 498 W CB -1.394 28.114 29.460 0.079 0.000 1.131 498 W HN 0.028 nan 8.180 nan 0.000 0.530 499 S N 0.627 115.519 115.700 -1.345 0.000 2.595 499 S HA -0.136 4.335 4.470 0.001 0.000 0.235 499 S C 1.536 175.834 174.600 -0.504 0.000 0.974 499 S CA 0.961 58.425 58.200 -1.226 0.000 0.942 499 S CB -0.538 61.767 63.200 -1.492 0.000 0.766 499 S HN 0.481 nan 8.310 nan 0.000 0.536 500 Q N 0.558 120.156 119.800 -0.337 0.000 2.408 500 Q HA 0.158 4.499 4.340 0.001 0.000 0.205 500 Q C -0.266 175.649 176.000 -0.143 0.000 0.919 500 Q CA 0.120 55.803 55.803 -0.200 0.000 0.932 500 Q CB 0.118 28.762 28.738 -0.156 0.000 1.058 500 Q HN 0.480 nan 8.270 nan 0.000 0.517 501 D N 0.615 120.932 120.400 -0.137 0.000 2.347 501 D HA 0.023 4.664 4.640 0.001 0.000 0.235 501 D C 0.948 177.188 176.300 -0.100 0.000 1.149 501 D CA -0.077 53.850 54.000 -0.121 0.000 0.850 501 D CB 1.275 41.981 40.800 -0.156 0.000 1.061 501 D HN 0.051 nan 8.370 nan 0.000 0.487 502 S N 2.956 118.606 115.700 -0.083 0.000 2.440 502 S HA -0.206 4.265 4.470 0.001 0.000 0.240 502 S C 1.237 175.812 174.600 -0.041 0.000 1.014 502 S CA 0.943 59.111 58.200 -0.052 0.000 0.980 502 S CB -0.366 62.807 63.200 -0.045 0.000 0.775 502 S HN 0.604 nan 8.310 nan 0.000 0.499 503 N N 0.730 119.379 118.700 -0.086 0.000 2.463 503 N HA 0.133 4.874 4.740 0.001 0.000 0.181 503 N C 1.422 176.870 175.510 -0.103 0.000 1.078 503 N CA 0.501 53.493 53.050 -0.096 0.000 0.902 503 N CB 0.111 38.504 38.487 -0.157 0.000 0.970 503 N HN 0.499 nan 8.380 nan 0.000 0.451 504 K N -0.463 119.873 120.400 -0.106 0.000 2.474 504 K HA 0.101 4.422 4.320 0.001 0.000 0.204 504 K C 1.753 178.552 176.600 0.332 0.000 1.220 504 K CA 0.169 56.437 56.287 -0.032 0.000 0.966 504 K CB 0.532 32.837 32.500 -0.325 0.000 1.049 504 K HN 0.023 nan 8.250 nan 0.000 0.554 505 S N 2.361 118.175 115.700 0.191 0.000 2.423 505 S HA -0.201 4.270 4.470 0.001 0.000 0.238 505 S C 1.376 176.190 174.600 0.356 0.000 1.028 505 S CA 1.906 60.213 58.200 0.179 0.000 1.000 505 S CB -0.468 62.731 63.200 -0.003 0.000 0.797 505 S HN 0.380 nan 8.310 nan 0.000 0.487 506 D N 0.043 120.629 120.400 0.311 0.000 2.368 506 D HA 0.178 4.819 4.640 0.001 0.000 0.218 506 D C -0.335 176.155 176.300 0.317 0.000 1.112 506 D CA -0.230 53.940 54.000 0.283 0.000 0.834 506 D CB -0.158 40.755 40.800 0.188 0.000 0.953 506 D HN 0.325 nan 8.370 nan 0.000 0.505 507 D N 0.665 121.308 120.400 0.405 0.000 2.346 507 D HA 0.025 4.665 4.640 0.001 0.000 0.255 507 D C 0.989 177.265 176.300 -0.040 0.000 1.276 507 D CA -0.262 53.912 54.000 0.290 0.000 0.941 507 D CB 1.275 42.261 40.800 0.309 0.000 1.199 507 D HN -0.058 nan 8.370 nan 0.000 0.537 508 S N 2.688 118.260 115.700 -0.213 0.000 2.493 508 S HA -0.154 4.316 4.470 0.001 0.000 0.243 508 S C 1.640 175.596 174.600 -1.073 0.000 0.991 508 S CA 0.465 58.094 58.200 -0.951 0.000 0.957 508 S CB -0.106 62.913 63.200 -0.301 0.000 0.756 508 S HN 0.435 nan 8.310 nan 0.000 0.521 509 R N -0.364 119.518 120.500 -1.030 0.000 2.193 509 R HA -0.012 4.329 4.340 0.001 0.000 0.229 509 R C 1.472 176.964 176.300 -1.347 0.000 1.110 509 R CA 1.534 56.849 56.100 -1.307 0.000 0.988 509 R CB -0.346 29.248 30.300 -1.176 0.000 0.871 509 R HN 0.592 nan 8.270 nan 0.000 0.458 510 W N 0.461 121.268 121.300 -0.822 0.000 2.525 510 W HA -0.037 4.623 4.660 0.001 0.000 0.259 510 W C 2.258 178.441 176.519 -0.559 0.000 1.253 510 W CA 0.651 57.683 57.345 -0.521 0.000 1.262 510 W CB -0.050 29.297 29.460 -0.189 0.000 1.122 510 W HN 0.158 nan 8.180 nan 0.000 0.607 511 A N 0.161 122.468 122.820 -0.854 0.000 1.972 511 A HA -0.208 4.113 4.320 0.001 0.000 0.219 511 A C 1.542 179.019 177.584 -0.180 0.000 1.169 511 A CA 1.684 53.370 52.037 -0.586 0.000 0.635 511 A CB -1.170 17.401 19.000 -0.714 0.000 0.810 511 A HN 0.612 nan 8.150 nan 0.000 0.446 512 H N -2.308 116.652 119.070 -0.183 0.000 2.488 512 H HA 0.446 5.003 4.556 0.001 0.000 0.294 512 H C -0.172 175.199 175.328 0.071 0.000 1.088 512 H CA -0.331 55.675 56.048 -0.069 0.000 1.086 512 H CB -0.099 29.547 29.762 -0.193 0.000 1.569 512 H HN 0.359 nan 8.280 nan 0.000 0.548 513 R N 2.210 122.772 120.500 0.104 0.000 2.886 513 R HA 0.245 4.586 4.340 0.001 0.000 0.306 513 R C -2.699 173.735 176.300 0.225 0.000 1.300 513 R CA -1.452 54.765 56.100 0.195 0.000 1.441 513 R CB 1.012 31.259 30.300 -0.089 0.000 1.328 513 R HN 0.363 nan 8.270 nan 0.000 0.629 514 P HA 0.126 nan 4.420 nan 0.000 0.274 514 P C -0.396 177.042 177.300 0.231 0.000 1.237 514 P CA -0.337 62.899 63.100 0.227 0.000 0.793 514 P CB 1.129 32.960 31.700 0.219 0.000 0.977 515 R N -0.014 120.598 120.500 0.187 0.000 2.652 515 R HA 0.165 4.506 4.340 0.001 0.000 0.271 515 R C 0.164 176.591 176.300 0.211 0.000 1.129 515 R CA -0.524 55.689 56.100 0.188 0.000 1.200 515 R CB -0.089 30.288 30.300 0.129 0.000 1.146 515 R HN 0.476 nan 8.270 nan 0.000 0.581 516 Y N 1.197 121.503 120.300 0.010 0.000 2.729 516 Y HA -0.148 4.403 4.550 0.001 0.000 0.331 516 Y C 0.115 176.013 175.900 -0.004 0.000 1.208 516 Y CA 0.574 58.601 58.100 -0.121 0.000 1.521 516 Y CB 0.073 38.230 38.460 -0.504 0.000 1.233 516 Y HN 0.489 nan 8.280 nan 0.000 0.539 517 N N 5.634 124.241 118.700 -0.155 0.000 2.469 517 N HA 0.019 4.760 4.740 0.001 0.000 0.239 517 N C 0.625 176.037 175.510 -0.164 0.000 1.053 517 N CA -0.445 52.553 53.050 -0.087 0.000 0.937 517 N CB 0.508 38.963 38.487 -0.053 0.000 1.163 517 N HN 0.720 nan 8.380 nan 0.000 0.509 518 E N 2.361 122.547 120.200 -0.023 0.000 2.070 518 E HA -0.246 4.104 4.350 0.001 0.000 0.197 518 E C 1.740 178.337 176.600 -0.005 0.000 1.004 518 E CA 1.270 57.697 56.400 0.046 0.000 0.805 518 E CB -0.360 29.392 29.700 0.087 0.000 0.744 518 E HN 0.769 nan 8.360 nan 0.000 0.451 519 A N 1.351 124.158 122.820 -0.020 0.000 1.883 519 A HA -0.161 4.159 4.320 0.001 0.000 0.217 519 A C 2.431 179.976 177.584 -0.065 0.000 1.186 519 A CA 1.294 53.312 52.037 -0.031 0.000 0.624 519 A CB -0.747 18.240 19.000 -0.023 0.000 0.822 519 A HN 0.170 nan 8.150 nan 0.000 0.444 520 L N -2.493 118.664 121.223 -0.110 0.000 2.027 520 L HA -0.185 4.156 4.340 0.001 0.000 0.206 520 L C 2.577 179.285 176.870 -0.271 0.000 1.074 520 L CA 1.473 56.200 54.840 -0.189 0.000 0.745 520 L CB -0.749 41.162 42.059 -0.246 0.000 0.898 520 L HN 0.430 nan 8.230 nan 0.000 0.433 521 Y N 0.092 120.213 120.300 -0.298 0.000 2.333 521 Y HA -0.169 4.382 4.550 0.001 0.000 0.290 521 Y C 2.556 178.322 175.900 -0.222 0.000 1.144 521 Y CA 1.014 58.912 58.100 -0.337 0.000 1.228 521 Y CB -0.436 37.698 38.460 -0.544 0.000 0.985 521 Y HN 0.137 nan 8.280 nan 0.000 0.542 522 A N -0.595 122.209 122.820 -0.027 0.000 2.119 522 A HA -0.131 4.190 4.320 0.001 0.000 0.217 522 A C 1.814 179.367 177.584 -0.051 0.000 1.153 522 A CA 1.043 53.064 52.037 -0.027 0.000 0.692 522 A CB -0.303 18.688 19.000 -0.015 0.000 0.799 522 A HN 0.519 nan 8.150 nan 0.000 0.458 523 Q N -0.788 118.965 119.800 -0.078 0.000 2.319 523 Q HA 0.020 4.361 4.340 0.001 0.000 0.202 523 Q C 1.730 177.681 176.000 -0.082 0.000 0.896 523 Q CA 0.265 56.028 55.803 -0.068 0.000 0.942 523 Q CB 0.162 28.863 28.738 -0.062 0.000 1.083 523 Q HN 0.848 nan 8.270 nan 0.000 0.510 524 R N 0.432 120.843 120.500 -0.148 0.000 2.200 524 R HA -0.080 4.261 4.340 0.001 0.000 0.234 524 R C 0.834 177.087 176.300 -0.078 0.000 1.127 524 R CA 1.375 57.350 56.100 -0.209 0.000 0.989 524 R CB -0.146 29.805 30.300 -0.583 0.000 0.869 524 R HN 0.094 nan 8.270 nan 0.000 0.459 525 N N 0.599 119.273 118.700 -0.043 0.000 2.230 525 N HA -0.010 4.731 4.740 0.001 0.000 0.202 525 N C -0.861 174.667 175.510 0.030 0.000 1.119 525 N CA 0.139 53.207 53.050 0.030 0.000 0.851 525 N CB 0.472 38.974 38.487 0.025 0.000 0.990 525 N HN 0.233 nan 8.380 nan 0.000 0.497 526 D N 1.604 122.013 120.400 0.014 0.000 2.427 526 D HA 0.170 4.811 4.640 0.001 0.000 0.226 526 D C -1.621 174.689 176.300 0.017 0.000 1.076 526 D CA -2.119 51.887 54.000 0.010 0.000 0.849 526 D CB 1.850 42.648 40.800 -0.003 0.000 1.052 526 D HN 0.011 nan 8.370 nan 0.000 0.515 527 P HA -0.044 nan 4.420 nan 0.000 0.234 527 P C 0.671 177.975 177.300 0.006 0.000 1.167 527 P CA 0.355 63.465 63.100 0.016 0.000 0.763 527 P CB 0.487 32.194 31.700 0.012 0.000 0.835 528 S N -0.866 114.836 115.700 0.003 0.000 2.524 528 S HA 0.034 4.505 4.470 0.001 0.000 0.216 528 S C 1.173 175.770 174.600 -0.004 0.000 0.987 528 S CA 0.365 58.564 58.200 -0.002 0.000 0.909 528 S CB -0.324 62.874 63.200 -0.003 0.000 0.781 528 S HN 0.422 nan 8.310 nan 0.000 0.521 529 T N -1.148 113.404 114.554 -0.004 0.000 2.944 529 T HA 0.753 5.104 4.350 0.001 0.000 0.284 529 T C 1.250 175.947 174.700 -0.005 0.000 1.010 529 T CA -0.289 61.806 62.100 -0.008 0.000 1.025 529 T CB 1.628 70.486 68.868 -0.016 0.000 1.079 529 T HN -0.044 nan 8.240 nan 0.000 0.516 530 A N 1.183 123.998 122.820 -0.008 0.000 1.930 530 A HA 0.239 4.560 4.320 0.001 0.000 0.217 530 A C 2.585 180.169 177.584 -0.001 0.000 1.175 530 A CA 1.684 53.719 52.037 -0.004 0.000 0.627 530 A CB -1.502 17.496 19.000 -0.003 0.000 0.815 530 A HN 1.248 nan 8.150 nan 0.000 0.443 531 A N -0.388 122.420 122.820 -0.019 0.000 1.883 531 A HA 0.084 4.405 4.320 0.001 0.000 0.217 531 A C 2.422 180.016 177.584 0.017 0.000 1.186 531 A CA 2.033 54.048 52.037 -0.037 0.000 0.624 531 A CB -1.411 17.528 19.000 -0.102 0.000 0.822 531 A HN 0.727 nan 8.150 nan 0.000 0.444 532 G N -1.174 107.638 108.800 0.021 0.000 2.402 532 G HA2 -0.185 3.776 3.960 0.001 0.000 0.216 532 G HA3 -0.185 3.776 3.960 0.001 0.000 0.216 532 G C 1.613 176.571 174.900 0.097 0.000 1.162 532 G CA 0.999 46.143 45.100 0.073 0.000 0.777 532 G HN 0.622 nan 8.290 nan 0.000 0.539 533 Q N -0.206 119.622 119.800 0.047 0.000 2.050 533 Q HA -0.020 4.321 4.340 0.001 0.000 0.202 533 Q C 2.596 178.614 176.000 0.030 0.000 0.980 533 Q CA 1.223 57.043 55.803 0.028 0.000 0.840 533 Q CB -0.215 28.528 28.738 0.007 0.000 0.898 533 Q HN 0.526 nan 8.270 nan 0.000 0.424 534 I N -0.557 120.036 120.570 0.039 0.000 2.142 534 I HA -0.306 3.865 4.170 0.001 0.000 0.240 534 I C 2.208 178.347 176.117 0.038 0.000 1.078 534 I CA 1.272 62.591 61.300 0.032 0.000 1.343 534 I CB -0.358 37.667 38.000 0.042 0.000 1.046 534 I HN 0.241 nan 8.210 nan 0.000 0.405 535 Y N 1.840 122.128 120.300 -0.019 0.000 2.097 535 Y HA -0.335 4.216 4.550 0.001 0.000 0.282 535 Y C 2.744 178.657 175.900 0.021 0.000 1.152 535 Y CA 1.771 59.875 58.100 0.006 0.000 1.136 535 Y CB -0.282 38.191 38.460 0.023 0.000 0.975 535 Y HN 0.159 nan 8.280 nan 0.000 0.498 536 Q N 0.139 119.962 119.800 0.037 0.000 2.170 536 Q HA -0.174 4.167 4.340 0.001 0.000 0.203 536 Q C 1.806 177.761 176.000 -0.075 0.000 0.976 536 Q CA 1.891 57.674 55.803 -0.034 0.000 0.858 536 Q CB -0.515 28.254 28.738 0.052 0.000 0.907 536 Q HN 0.604 nan 8.270 nan 0.000 0.433 537 D N -0.171 120.194 120.400 -0.059 0.000 2.097 537 D HA -0.096 4.544 4.640 0.001 0.000 0.197 537 D C 1.788 178.042 176.300 -0.076 0.000 0.984 537 D CA 0.556 54.528 54.000 -0.048 0.000 0.826 537 D CB -0.017 40.754 40.800 -0.049 0.000 0.973 537 D HN 0.053 nan 8.370 nan 0.000 0.460 538 L N 0.176 121.316 121.223 -0.137 0.000 2.093 538 L HA -0.050 4.291 4.340 0.001 0.000 0.208 538 L C 2.215 178.965 176.870 -0.201 0.000 1.085 538 L CA 1.147 55.883 54.840 -0.174 0.000 0.755 538 L CB -0.397 41.518 42.059 -0.240 0.000 0.904 538 L HN -0.113 nan 8.230 nan 0.000 0.435 539 R N -1.163 119.152 120.500 -0.307 0.000 2.096 539 R HA -0.216 4.124 4.340 0.001 0.000 0.235 539 R C 2.414 178.654 176.300 -0.099 0.000 1.127 539 R CA 1.505 57.435 56.100 -0.283 0.000 0.968 539 R CB -0.509 29.519 30.300 -0.455 0.000 0.861 539 R HN 0.503 nan 8.270 nan 0.000 0.440 540 H N -0.378 118.603 119.070 -0.148 0.000 2.326 540 H HA 0.010 4.566 4.556 0.001 0.000 0.301 540 H C 1.737 177.029 175.328 -0.060 0.000 1.081 540 H CA 2.394 58.390 56.048 -0.087 0.000 1.334 540 H CB -0.109 29.597 29.762 -0.092 0.000 1.385 540 H HN 0.167 nan 8.280 nan 0.000 0.504 541 M N -0.526 118.937 119.600 -0.230 0.000 2.159 541 M HA -0.103 4.378 4.480 0.001 0.000 0.263 541 M C 2.255 178.511 176.300 -0.075 0.000 1.063 541 M CA 1.420 56.600 55.300 -0.200 0.000 1.110 541 M CB -0.134 32.380 32.600 -0.143 0.000 1.374 541 M HN 0.309 nan 8.290 nan 0.000 0.411 542 I N 0.127 120.643 120.570 -0.090 0.000 2.252 542 I HA -0.233 3.938 4.170 0.001 0.000 0.245 542 I C 2.740 178.807 176.117 -0.084 0.000 1.102 542 I CA 1.162 62.415 61.300 -0.078 0.000 1.385 542 I CB -0.525 37.429 38.000 -0.077 0.000 1.064 542 I HN 0.235 nan 8.210 nan 0.000 0.414 543 A N 0.422 123.195 122.820 -0.079 0.000 1.877 543 A HA -0.152 4.168 4.320 0.001 0.000 0.216 543 A C 2.429 179.981 177.584 -0.053 0.000 1.186 543 A CA 1.749 53.760 52.037 -0.042 0.000 0.620 543 A CB -0.968 18.034 19.000 0.003 0.000 0.822 543 A HN 0.232 nan 8.150 nan 0.000 0.443 544 V N 0.343 120.189 119.914 -0.113 0.000 2.295 544 V HA -0.271 3.850 4.120 0.001 0.000 0.246 544 V C 2.685 178.698 176.094 -0.135 0.000 1.049 544 V CA 2.314 64.578 62.300 -0.060 0.000 1.024 544 V CB -0.850 30.951 31.823 -0.036 0.000 0.648 544 V HN 0.715 nan 8.190 nan 0.000 0.447 545 R N 0.084 120.379 120.500 -0.342 0.000 2.083 545 R HA -0.233 4.108 4.340 0.001 0.000 0.237 545 R C 2.291 178.495 176.300 -0.159 0.000 1.137 545 R CA 2.147 57.914 56.100 -0.556 0.000 0.951 545 R CB -0.263 29.751 30.300 -0.477 0.000 0.851 545 R HN 0.605 nan 8.270 nan 0.000 0.434 546 Q N -0.157 119.594 119.800 -0.082 0.000 2.230 546 Q HA -0.075 4.265 4.340 0.001 0.000 0.202 546 Q C 2.041 178.057 176.000 0.027 0.000 0.963 546 Q CA 1.724 57.520 55.803 -0.012 0.000 0.866 546 Q CB 0.208 28.941 28.738 -0.007 0.000 0.931 546 Q HN 0.483 nan 8.270 nan 0.000 0.452 547 S N -0.373 115.349 115.700 0.037 0.000 2.492 547 S HA 0.036 4.507 4.470 0.001 0.000 0.218 547 S C 0.732 175.388 174.600 0.093 0.000 1.016 547 S CA -0.337 57.899 58.200 0.061 0.000 0.916 547 S CB 0.177 63.413 63.200 0.059 0.000 0.791 547 S HN 0.102 nan 8.310 nan 0.000 0.513 548 N N 2.746 121.535 118.700 0.149 0.000 2.439 548 N HA 0.366 5.107 4.740 0.001 0.000 0.249 548 N C -2.362 173.260 175.510 0.187 0.000 1.003 548 N CA -1.943 51.227 53.050 0.201 0.000 0.942 548 N CB 1.743 40.443 38.487 0.356 0.000 1.115 548 N HN 0.003 nan 8.380 nan 0.000 0.505 549 P HA -0.056 nan 4.420 nan 0.000 0.221 549 P C 0.825 178.117 177.300 -0.013 0.000 1.145 549 P CA 1.047 64.172 63.100 0.042 0.000 0.795 549 P CB 0.323 32.033 31.700 0.017 0.000 0.775 550 R N -1.665 118.774 120.500 -0.102 0.000 2.249 550 R HA -0.074 4.267 4.340 0.001 0.000 0.230 550 R C 1.299 177.341 176.300 -0.430 0.000 1.121 550 R CA 1.026 56.946 56.100 -0.300 0.000 0.997 550 R CB -0.690 29.335 30.300 -0.459 0.000 0.867 550 R HN 0.296 nan 8.270 nan 0.000 0.465 551 F N 0.067 119.948 119.950 -0.115 0.000 2.727 551 F HA 0.101 4.629 4.527 0.001 0.000 0.302 551 F C 0.758 176.509 175.800 -0.080 0.000 1.097 551 F CA -0.611 57.306 58.000 -0.137 0.000 1.330 551 F CB 0.015 38.902 39.000 -0.190 0.000 1.084 551 F HN -0.130 nan 8.300 nan 0.000 0.578 552 D N 0.472 120.917 120.400 0.075 0.000 2.423 552 D HA 0.389 5.030 4.640 0.001 0.000 0.238 552 D C 0.657 176.973 176.300 0.028 0.000 1.142 552 D CA 1.647 55.676 54.000 0.050 0.000 0.884 552 D CB 0.648 41.468 40.800 0.032 0.000 1.199 552 D HN 0.385 nan 8.370 nan 0.000 0.438 553 G N 1.498 110.313 108.800 0.025 0.000 2.757 553 G HA2 0.101 4.062 3.960 0.001 0.000 0.638 553 G HA3 0.101 4.062 3.960 0.001 0.000 0.638 553 G C 0.504 175.427 174.900 0.038 0.000 1.344 553 G CA -0.098 45.011 45.100 0.015 0.000 0.855 553 G HN 0.906 nan 8.290 nan 0.000 0.537 554 G N -0.560 108.264 108.800 0.040 0.000 3.377 554 G HA2 0.440 4.401 3.960 0.001 0.000 0.257 554 G HA3 0.440 4.401 3.960 0.001 0.000 0.257 554 G C 0.593 175.605 174.900 0.186 0.000 1.038 554 G CA 0.039 45.203 45.100 0.107 0.000 0.809 554 G HN 0.529 nan 8.290 nan 0.000 0.526 555 R N 0.473 121.038 120.500 0.109 0.000 2.404 555 R HA 0.672 5.013 4.340 0.001 0.000 0.291 555 R C -0.488 175.864 176.300 0.087 0.000 1.025 555 R CA -0.456 55.715 56.100 0.119 0.000 0.991 555 R CB 1.525 31.852 30.300 0.044 0.000 1.053 555 R HN 0.307 nan 8.270 nan 0.000 0.479 556 L N -1.778 119.491 121.223 0.077 0.000 2.540 556 L HA 0.687 5.027 4.340 0.001 0.000 0.256 556 L C -1.170 175.690 176.870 -0.016 0.000 1.001 556 L CA -0.996 53.829 54.840 -0.024 0.000 0.843 556 L CB 1.856 43.791 42.059 -0.207 0.000 1.436 556 L HN 0.190 nan 8.230 nan 0.000 0.410 557 V N 0.609 120.524 119.914 0.001 0.000 2.531 557 V HA 0.682 4.803 4.120 0.001 0.000 0.301 557 V C 0.278 176.409 176.094 0.062 0.000 1.034 557 V CA 0.106 62.414 62.300 0.012 0.000 0.865 557 V CB 2.014 33.854 31.823 0.029 0.000 0.995 557 V HN 1.086 nan 8.190 nan 0.000 0.424 558 T N 1.556 116.123 114.554 0.022 0.000 2.868 558 T HA 0.591 4.942 4.350 0.001 0.000 0.292 558 T C -0.745 174.103 174.700 0.247 0.000 1.028 558 T CA -0.195 61.971 62.100 0.109 0.000 1.059 558 T CB 1.014 69.804 68.868 -0.130 0.000 0.991 558 T HN 0.439 nan 8.240 nan 0.000 0.531 559 F N 2.332 122.392 119.950 0.182 0.000 2.477 559 F HA 0.436 4.964 4.527 0.001 0.000 0.335 559 F C -0.232 175.703 175.800 0.224 0.000 1.130 559 F CA -1.210 56.891 58.000 0.168 0.000 0.948 559 F CB 1.500 40.571 39.000 0.119 0.000 1.154 559 F HN 0.686 nan 8.300 nan 0.000 0.439 560 N N 3.388 121.914 118.700 -0.291 0.000 2.406 560 N HA 0.036 4.776 4.740 0.001 0.000 0.265 560 N C 0.924 176.294 175.510 -0.233 0.000 1.203 560 N CA 0.644 53.556 53.050 -0.230 0.000 0.945 560 N CB 1.019 39.359 38.487 -0.245 0.000 1.165 560 N HN 0.758 nan 8.380 nan 0.000 0.485 561 T N 0.363 114.956 114.554 0.065 0.000 3.067 561 T HA -0.001 4.350 4.350 0.001 0.000 0.261 561 T C 0.482 175.191 174.700 0.015 0.000 1.110 561 T CA 0.104 62.303 62.100 0.165 0.000 1.113 561 T CB -0.224 68.739 68.868 0.159 0.000 0.917 561 T HN 0.604 nan 8.240 nan 0.000 0.499 562 N N 1.808 120.474 118.700 -0.057 0.000 2.753 562 N HA -0.147 4.593 4.740 0.001 0.000 0.251 562 N C -0.715 174.754 175.510 -0.069 0.000 1.097 562 N CA 1.007 54.014 53.050 -0.071 0.000 0.786 562 N CB -1.597 36.862 38.487 -0.047 0.000 1.137 562 N HN 0.634 nan 8.380 nan 0.000 0.566 563 N N 0.858 119.518 118.700 -0.067 0.000 2.504 563 N HA 0.109 4.850 4.740 0.001 0.000 0.280 563 N C 1.011 176.454 175.510 -0.111 0.000 1.052 563 N CA -0.432 52.574 53.050 -0.075 0.000 0.887 563 N CB 1.019 39.487 38.487 -0.032 0.000 1.323 563 N HN 0.187 nan 8.380 nan 0.000 0.509 564 K N 2.194 122.460 120.400 -0.224 0.000 2.442 564 K HA -0.121 4.200 4.320 0.001 0.000 0.199 564 K C 0.092 176.535 176.600 -0.262 0.000 1.044 564 K CA 1.224 57.343 56.287 -0.281 0.000 0.941 564 K CB -0.047 32.234 32.500 -0.365 0.000 0.759 564 K HN 0.498 nan 8.250 nan 0.000 0.472 565 H N 0.121 119.203 119.070 0.019 0.000 2.622 565 H HA 0.310 4.867 4.556 0.001 0.000 0.269 565 H C 0.262 175.664 175.328 0.124 0.000 0.977 565 H CA -0.022 56.063 56.048 0.062 0.000 1.179 565 H CB 0.437 30.224 29.762 0.040 0.000 1.458 565 H HN 0.130 nan 8.280 nan 0.000 0.531 566 I N 1.706 122.386 120.570 0.182 0.000 2.362 566 I HA 0.152 4.322 4.170 0.001 0.000 0.289 566 I C -0.354 175.911 176.117 0.247 0.000 0.994 566 I CA -0.975 60.444 61.300 0.199 0.000 1.158 566 I CB 2.210 40.247 38.000 0.062 0.000 1.315 566 I HN -0.146 nan 8.210 nan 0.000 0.451 567 I N 5.154 125.946 120.570 0.370 0.000 2.472 567 I HA 0.666 4.836 4.170 0.001 0.000 0.290 567 I C 0.324 176.717 176.117 0.459 0.000 1.016 567 I CA 0.282 61.824 61.300 0.403 0.000 1.348 567 I CB 1.369 39.649 38.000 0.466 0.000 1.417 567 I HN 0.613 nan 8.210 nan 0.000 0.521 568 G N 6.461 115.554 108.800 0.488 0.000 2.701 568 G HA2 0.635 4.595 3.960 0.001 0.000 0.300 568 G HA3 0.635 4.595 3.960 0.001 0.000 0.300 568 G C -1.977 173.142 174.900 0.364 0.000 1.410 568 G CA -0.455 44.898 45.100 0.422 0.000 1.014 568 G HN 0.694 nan 8.290 nan 0.000 0.509 569 Y N -0.430 119.914 120.300 0.073 0.000 2.624 569 Y HA 0.773 5.323 4.550 0.001 0.000 0.334 569 Y C -1.276 174.554 175.900 -0.116 0.000 1.155 569 Y CA -1.853 56.249 58.100 0.004 0.000 1.046 569 Y CB 1.275 39.709 38.460 -0.044 0.000 1.316 569 Y HN 0.489 nan 8.280 nan 0.000 0.457 570 I N 3.494 124.118 120.570 0.090 0.000 2.465 570 I HA 0.524 4.694 4.170 0.001 0.000 0.291 570 I C -0.793 175.307 176.117 -0.028 0.000 1.014 570 I CA -1.171 60.096 61.300 -0.054 0.000 1.093 570 I CB 1.717 39.684 38.000 -0.054 0.000 1.267 570 I HN 0.521 nan 8.210 nan 0.000 0.431 571 R N 5.063 125.490 120.500 -0.120 0.000 2.393 571 R HA 0.349 4.690 4.340 0.001 0.000 0.310 571 R C 0.119 176.322 176.300 -0.162 0.000 0.968 571 R CA -0.753 55.264 56.100 -0.138 0.000 0.867 571 R CB 0.789 30.945 30.300 -0.239 0.000 1.124 571 R HN 0.628 nan 8.270 nan 0.000 0.450 572 N N 1.806 120.444 118.700 -0.104 0.000 2.696 572 N HA -0.290 4.451 4.740 0.001 0.000 0.249 572 N C -0.250 175.207 175.510 -0.089 0.000 1.090 572 N CA 1.096 54.092 53.050 -0.090 0.000 0.716 572 N CB -0.683 37.739 38.487 -0.107 0.000 1.020 572 N HN 0.792 nan 8.380 nan 0.000 0.548 573 N N -1.970 116.682 118.700 -0.079 0.000 2.678 573 N HA -0.290 4.451 4.740 0.001 0.000 0.249 573 N C 0.460 175.916 175.510 -0.090 0.000 1.119 573 N CA 1.335 54.345 53.050 -0.067 0.000 0.718 573 N CB -0.806 37.657 38.487 -0.039 0.000 1.060 573 N HN 0.679 nan 8.380 nan 0.000 0.552 574 A N -1.827 120.911 122.820 -0.137 0.000 2.591 574 A HA 0.334 4.654 4.320 0.001 0.000 0.204 574 A C -0.290 177.168 177.584 -0.210 0.000 1.410 574 A CA -0.157 51.792 52.037 -0.147 0.000 1.065 574 A CB 0.684 19.606 19.000 -0.131 0.000 1.362 574 A HN 0.195 nan 8.150 nan 0.000 0.566 575 L N 1.559 122.610 121.223 -0.286 0.000 2.343 575 L HA 0.618 4.959 4.340 0.001 0.000 0.278 575 L C -1.792 174.851 176.870 -0.378 0.000 0.996 575 L CA -0.652 53.961 54.840 -0.379 0.000 0.831 575 L CB 1.420 43.092 42.059 -0.645 0.000 1.232 575 L HN 0.239 nan 8.230 nan 0.000 0.413 576 L N 5.541 126.524 121.223 -0.400 0.000 2.262 576 L HA 0.709 5.050 4.340 0.001 0.000 0.288 576 L C -0.229 176.242 176.870 -0.665 0.000 1.035 576 L CA -0.089 54.400 54.840 -0.586 0.000 0.820 576 L CB 1.262 42.911 42.059 -0.683 0.000 1.204 576 L HN 0.704 nan 8.230 nan 0.000 0.424 577 A N 4.725 127.090 122.820 -0.758 0.000 2.305 577 A HA 0.779 5.100 4.320 0.001 0.000 0.322 577 A C -1.242 175.955 177.584 -0.646 0.000 1.187 577 A CA -0.310 51.368 52.037 -0.598 0.000 0.825 577 A CB 0.317 18.863 19.000 -0.757 0.000 1.164 577 A HN 0.551 nan 8.150 nan 0.000 0.498 578 F N 0.789 120.670 119.950 -0.116 0.000 2.540 578 F HA 0.665 5.193 4.527 0.001 0.000 0.317 578 F C 0.653 176.460 175.800 0.011 0.000 1.104 578 F CA -1.006 56.961 58.000 -0.055 0.000 0.913 578 F CB 2.671 41.646 39.000 -0.043 0.000 1.170 578 F HN 0.687 nan 8.300 nan 0.000 0.450 579 G N 1.980 110.957 108.800 0.295 0.000 2.737 579 G HA2 0.315 4.276 3.960 0.001 0.000 0.290 579 G HA3 0.315 4.276 3.960 0.001 0.000 0.290 579 G C -1.543 173.441 174.900 0.141 0.000 1.482 579 G CA -0.701 44.496 45.100 0.162 0.000 1.017 579 G HN 0.461 nan 8.290 nan 0.000 0.529 580 N N 1.944 120.640 118.700 -0.007 0.000 2.406 580 N HA 0.265 5.006 4.740 0.001 0.000 0.251 580 N C -0.094 175.328 175.510 -0.148 0.000 1.069 580 N CA -0.911 52.124 53.050 -0.026 0.000 0.947 580 N CB 0.499 38.923 38.487 -0.104 0.000 1.111 580 N HN 0.277 nan 8.380 nan 0.000 0.497 581 F N 0.896 120.841 119.950 -0.010 0.000 2.660 581 F HA 0.224 4.751 4.527 0.001 0.000 0.302 581 F C 1.330 177.020 175.800 -0.184 0.000 1.103 581 F CA -0.161 57.852 58.000 0.022 0.000 1.340 581 F CB 0.151 39.221 39.000 0.117 0.000 1.048 581 F HN 0.321 nan 8.300 nan 0.000 0.551 582 S N 0.600 116.108 115.700 -0.320 0.000 2.565 582 S HA 0.157 4.628 4.470 0.001 0.000 0.290 582 S C 1.064 175.054 174.600 -1.016 0.000 1.150 582 S CA -0.688 57.200 58.200 -0.521 0.000 1.058 582 S CB 0.854 63.767 63.200 -0.479 0.000 1.032 582 S HN 0.416 nan 8.310 nan 0.000 0.510 583 E N 2.780 122.389 120.200 -0.986 0.000 2.494 583 E HA 0.005 4.356 4.350 0.001 0.000 0.193 583 E C -0.895 175.172 176.600 -0.887 0.000 1.074 583 E CA 0.252 55.965 56.400 -1.145 0.000 0.867 583 E CB -0.209 29.000 29.700 -0.818 0.000 0.924 583 E HN 0.642 nan 8.360 nan 0.000 0.502 584 Y N 0.299 120.386 120.300 -0.355 0.000 2.562 584 Y HA 0.449 5.000 4.550 0.001 0.000 0.343 584 Y C -2.291 173.494 175.900 -0.193 0.000 1.025 584 Y CA -3.306 54.672 58.100 -0.202 0.000 1.082 584 Y CB 0.997 39.362 38.460 -0.158 0.000 1.264 584 Y HN -0.184 nan 8.280 nan 0.000 0.478 585 P HA 0.075 nan 4.420 nan 0.000 0.265 585 P C -0.885 176.412 177.300 -0.005 0.000 1.193 585 P CA 0.118 63.218 63.100 -0.001 0.000 0.765 585 P CB 0.528 32.237 31.700 0.015 0.000 0.823 586 Q N 1.329 121.113 119.800 -0.027 0.000 2.375 586 Q HA 0.486 4.826 4.340 0.001 0.000 0.271 586 Q C -0.605 175.376 176.000 -0.032 0.000 1.074 586 Q CA -0.320 55.480 55.803 -0.005 0.000 0.808 586 Q CB 2.133 30.882 28.738 0.018 0.000 1.327 586 Q HN 0.293 nan 8.270 nan 0.000 0.441 587 T N 0.598 115.137 114.554 -0.026 0.000 2.855 587 T HA 0.580 4.931 4.350 0.001 0.000 0.281 587 T C -0.333 174.320 174.700 -0.078 0.000 1.007 587 T CA -0.507 61.562 62.100 -0.052 0.000 1.009 587 T CB 1.457 70.308 68.868 -0.028 0.000 0.983 587 T HN 0.223 nan 8.240 nan 0.000 0.455 588 V N 3.705 123.546 119.914 -0.121 0.000 2.357 588 V HA 0.400 4.521 4.120 0.001 0.000 0.284 588 V C 0.923 176.994 176.094 -0.039 0.000 1.018 588 V CA -0.981 61.241 62.300 -0.131 0.000 0.841 588 V CB 1.295 32.920 31.823 -0.329 0.000 0.991 588 V HN 1.139 nan 8.190 nan 0.000 0.437 589 T N 2.481 117.042 114.554 0.012 0.000 2.900 589 T HA 0.365 4.716 4.350 0.001 0.000 0.307 589 T C 1.448 176.200 174.700 0.087 0.000 1.065 589 T CA 0.192 62.322 62.100 0.050 0.000 1.105 589 T CB 1.435 70.343 68.868 0.067 0.000 0.979 589 T HN 0.813 nan 8.240 nan 0.000 0.544 590 A N 0.892 123.763 122.820 0.085 0.000 1.940 590 A HA -0.166 4.155 4.320 0.001 0.000 0.219 590 A C 2.289 179.937 177.584 0.106 0.000 1.176 590 A CA 1.783 53.873 52.037 0.089 0.000 0.631 590 A CB -1.332 17.713 19.000 0.075 0.000 0.814 590 A HN 1.092 nan 8.150 nan 0.000 0.446 591 H N -0.004 119.092 119.070 0.044 0.000 2.353 591 H HA -0.103 4.454 4.556 0.001 0.000 0.300 591 H C 1.880 177.243 175.328 0.058 0.000 1.090 591 H CA 2.043 58.115 56.048 0.041 0.000 1.327 591 H CB -0.197 29.577 29.762 0.020 0.000 1.383 591 H HN 0.424 nan 8.280 nan 0.000 0.508 592 T N 1.137 115.814 114.554 0.206 0.000 2.867 592 T HA -0.035 4.316 4.350 0.001 0.000 0.268 592 T C 2.075 176.924 174.700 0.248 0.000 1.057 592 T CA 0.870 63.082 62.100 0.188 0.000 1.136 592 T CB -0.051 68.927 68.868 0.183 0.000 0.874 592 T HN 0.253 nan 8.240 nan 0.000 0.466 593 L N 0.856 122.210 121.223 0.217 0.000 2.592 593 L HA 0.161 4.502 4.340 0.001 0.000 0.227 593 L C 2.342 179.294 176.870 0.136 0.000 1.127 593 L CA 0.093 55.073 54.840 0.232 0.000 0.884 593 L CB -0.438 41.727 42.059 0.176 0.000 1.065 593 L HN 0.233 nan 8.230 nan 0.000 0.457 594 Q N 0.770 120.604 119.800 0.057 0.000 2.173 594 Q HA -0.250 4.090 4.340 0.001 0.000 0.208 594 Q C 2.273 178.297 176.000 0.040 0.000 0.989 594 Q CA 1.896 57.705 55.803 0.010 0.000 0.872 594 Q CB -0.276 28.406 28.738 -0.093 0.000 0.909 594 Q HN 0.616 nan 8.270 nan 0.000 0.420 595 A N -0.250 122.613 122.820 0.071 0.000 2.206 595 A HA 0.017 4.338 4.320 0.001 0.000 0.211 595 A C 0.777 178.410 177.584 0.081 0.000 1.158 595 A CA 0.318 52.399 52.037 0.074 0.000 0.761 595 A CB 0.091 19.146 19.000 0.093 0.000 0.801 595 A HN 0.142 nan 8.150 nan 0.000 0.473 596 M N 0.874 120.529 119.600 0.092 0.000 2.342 596 M HA 0.314 4.795 4.480 0.001 0.000 0.332 596 M C -2.363 173.989 176.300 0.087 0.000 1.166 596 M CA -2.780 52.559 55.300 0.066 0.000 1.086 596 M CB 0.030 32.655 32.600 0.042 0.000 1.541 596 M HN -0.013 nan 8.290 nan 0.000 0.462 597 P HA -0.005 nan 4.420 nan 0.000 0.268 597 P C 0.629 178.065 177.300 0.226 0.000 1.208 597 P CA 0.054 63.257 63.100 0.171 0.000 0.777 597 P CB 0.071 31.851 31.700 0.134 0.000 0.875 598 F N 0.475 120.433 119.950 0.014 0.000 2.269 598 F HA 0.021 4.548 4.527 0.001 0.000 0.301 598 F C 0.539 176.353 175.800 0.023 0.000 1.082 598 F CA 0.473 58.484 58.000 0.018 0.000 1.360 598 F CB -0.168 38.842 39.000 0.016 0.000 1.041 598 F HN 0.088 nan 8.300 nan 0.000 0.512 599 K N 0.727 120.803 120.400 -0.541 0.000 2.464 599 K HA 0.768 5.088 4.320 0.001 0.000 0.253 599 K C -1.409 175.062 176.600 -0.216 0.000 0.933 599 K CA -0.781 55.190 56.287 -0.527 0.000 0.801 599 K CB 2.346 34.306 32.500 -0.900 0.000 1.271 599 K HN 0.128 nan 8.250 nan 0.000 0.430 600 A N 1.646 124.394 122.820 -0.119 0.000 2.520 600 A HA 0.315 4.635 4.320 0.001 0.000 0.298 600 A C -1.688 175.909 177.584 0.021 0.000 1.051 600 A CA -0.670 51.346 52.037 -0.035 0.000 0.690 600 A CB 1.067 20.045 19.000 -0.036 0.000 1.281 600 A HN 0.846 nan 8.150 nan 0.000 0.402 601 H N 1.503 120.551 119.070 -0.038 0.000 2.646 601 H HA 0.284 4.841 4.556 0.001 0.000 0.325 601 H C -1.163 174.179 175.328 0.023 0.000 1.075 601 H CA 0.283 56.326 56.048 -0.008 0.000 1.421 601 H CB 0.979 30.744 29.762 0.006 0.000 1.461 601 H HN 0.718 nan 8.280 nan 0.000 0.525 602 D N 4.827 124.968 120.400 -0.432 0.000 2.317 602 D HA 0.073 4.713 4.640 0.001 0.000 0.234 602 D C 0.908 176.947 176.300 -0.434 0.000 1.112 602 D CA -0.476 53.349 54.000 -0.292 0.000 0.840 602 D CB 0.793 41.502 40.800 -0.151 0.000 1.078 602 D HN 0.574 nan 8.370 nan 0.000 0.486 603 L N 3.721 124.870 121.223 -0.123 0.000 2.291 603 L HA -0.081 4.259 4.340 0.001 0.000 0.214 603 L C 1.745 178.682 176.870 0.112 0.000 1.120 603 L CA 0.224 55.104 54.840 0.066 0.000 0.799 603 L CB -0.274 41.999 42.059 0.356 0.000 0.925 603 L HN 0.595 nan 8.230 nan 0.000 0.446 604 I N 0.189 120.742 120.570 -0.030 0.000 2.141 604 I HA -0.099 4.072 4.170 0.001 0.000 0.236 604 I C 2.496 178.598 176.117 -0.026 0.000 1.071 604 I CA 1.857 63.093 61.300 -0.106 0.000 1.345 604 I CB -1.639 36.176 38.000 -0.308 0.000 1.066 604 I HN 0.188 nan 8.210 nan 0.000 0.406 605 G N -0.801 107.950 108.800 -0.082 0.000 2.712 605 G HA2 0.178 4.138 3.960 0.001 0.000 0.212 605 G HA3 0.178 4.138 3.960 0.001 0.000 0.212 605 G C 1.357 176.217 174.900 -0.066 0.000 1.142 605 G CA 0.667 45.720 45.100 -0.079 0.000 0.789 605 G HN 0.653 nan 8.290 nan 0.000 0.535 606 G N -0.421 108.326 108.800 -0.088 0.000 2.162 606 G HA2 -0.265 3.695 3.960 0.001 0.000 0.260 606 G HA3 -0.265 3.695 3.960 0.001 0.000 0.260 606 G C 0.382 175.308 174.900 0.043 0.000 0.976 606 G CA 0.657 45.747 45.100 -0.016 0.000 0.655 606 G HN 0.624 nan 8.290 nan 0.000 0.533 607 K N 0.028 120.402 120.400 -0.042 0.000 2.139 607 K HA 0.600 4.921 4.320 0.001 0.000 0.243 607 K C -0.092 176.535 176.600 0.044 0.000 0.983 607 K CA -0.514 55.790 56.287 0.029 0.000 0.890 607 K CB 1.119 33.618 32.500 -0.002 0.000 1.090 607 K HN 0.046 nan 8.250 nan 0.000 0.445 608 T N 1.445 116.043 114.554 0.073 0.000 2.780 608 T HA 0.229 4.580 4.350 0.001 0.000 0.294 608 T C -0.275 174.416 174.700 -0.016 0.000 0.949 608 T CA -0.577 61.550 62.100 0.046 0.000 1.074 608 T CB 0.640 69.516 68.868 0.014 0.000 0.910 608 T HN 0.131 nan 8.240 nan 0.000 0.501 609 V N 3.438 123.332 119.914 -0.032 0.000 2.483 609 V HA 0.358 4.479 4.120 0.001 0.000 0.295 609 V C 0.376 176.433 176.094 -0.062 0.000 1.035 609 V CA -0.804 61.476 62.300 -0.035 0.000 0.896 609 V CB 1.961 33.776 31.823 -0.012 0.000 0.986 609 V HN 0.924 nan 8.190 nan 0.000 0.447 610 S N 4.939 120.609 115.700 -0.049 0.000 2.489 610 S HA 0.462 4.933 4.470 0.001 0.000 0.277 610 S C 0.586 175.183 174.600 -0.004 0.000 1.230 610 S CA -0.457 57.711 58.200 -0.054 0.000 1.053 610 S CB 0.631 63.817 63.200 -0.023 0.000 0.955 610 S HN 0.586 nan 8.310 nan 0.000 0.488 611 L N 2.788 124.018 121.223 0.012 0.000 2.808 611 L HA 0.193 4.533 4.340 0.001 0.000 0.246 611 L C 1.008 177.928 176.870 0.083 0.000 1.153 611 L CA -0.103 54.770 54.840 0.055 0.000 0.956 611 L CB -0.169 41.923 42.059 0.056 0.000 1.270 611 L HN 0.575 nan 8.230 nan 0.000 0.528 612 N N 0.670 119.426 118.700 0.094 0.000 2.320 612 N HA 0.039 4.780 4.740 0.001 0.000 0.237 612 N C -0.069 175.489 175.510 0.081 0.000 1.129 612 N CA -0.242 52.873 53.050 0.109 0.000 0.854 612 N CB 0.361 38.947 38.487 0.165 0.000 1.083 612 N HN 0.542 nan 8.380 nan 0.000 0.504 613 Q N -2.060 117.779 119.800 0.065 0.000 2.685 613 Q HA 0.368 4.709 4.340 0.001 0.000 0.301 613 Q C -1.862 174.163 176.000 0.042 0.000 0.924 613 Q CA -0.950 54.883 55.803 0.051 0.000 0.755 613 Q CB 0.250 29.014 28.738 0.043 0.000 1.470 613 Q HN -0.216 nan 8.270 nan 0.000 0.434 614 D N 0.954 121.374 120.400 0.033 0.000 2.488 614 D HA 0.215 4.856 4.640 0.001 0.000 0.238 614 D C -0.925 175.378 176.300 0.005 0.000 1.138 614 D CA 0.221 54.232 54.000 0.019 0.000 0.873 614 D CB 0.683 41.490 40.800 0.012 0.000 1.183 614 D HN 0.402 nan 8.370 nan 0.000 0.458 615 L N 2.292 123.505 121.223 -0.016 0.000 2.319 615 L HA 0.335 4.676 4.340 0.001 0.000 0.281 615 L C -0.593 176.241 176.870 -0.060 0.000 1.005 615 L CA -0.183 54.638 54.840 -0.033 0.000 0.828 615 L CB 1.618 43.652 42.059 -0.042 0.000 1.227 615 L HN 0.154 nan 8.230 nan 0.000 0.415 616 T N 6.458 120.988 114.554 -0.039 0.000 2.758 616 T HA 0.539 4.889 4.350 0.001 0.000 0.285 616 T C -0.152 174.523 174.700 -0.041 0.000 0.981 616 T CA -0.280 61.796 62.100 -0.041 0.000 0.965 616 T CB 0.645 69.500 68.868 -0.022 0.000 0.927 616 T HN 0.422 nan 8.240 nan 0.000 0.448 617 L N 3.470 124.660 121.223 -0.055 0.000 2.307 617 L HA 0.416 4.757 4.340 0.001 0.000 0.282 617 L C 0.681 177.522 176.870 -0.048 0.000 1.051 617 L CA -1.153 53.658 54.840 -0.049 0.000 0.804 617 L CB 1.141 43.164 42.059 -0.061 0.000 1.197 617 L HN 0.396 nan 8.230 nan 0.000 0.431 618 Q N 2.555 122.332 119.800 -0.038 0.000 2.443 618 Q HA 0.256 4.597 4.340 0.001 0.000 0.232 618 Q C -2.186 173.768 176.000 -0.076 0.000 1.026 618 Q CA -1.849 53.934 55.803 -0.033 0.000 0.924 618 Q CB 0.176 28.910 28.738 -0.007 0.000 1.256 618 Q HN 0.281 nan 8.270 nan 0.000 0.519 619 P HA -0.129 nan 4.420 nan 0.000 0.261 619 P C -0.761 176.428 177.300 -0.185 0.000 1.173 619 P CA 0.700 63.633 63.100 -0.277 0.000 0.760 619 P CB -0.036 31.531 31.700 -0.220 0.000 0.783 620 Y N -0.943 119.240 120.300 -0.195 0.000 4.469 620 Y HA -0.293 4.258 4.550 0.001 0.000 0.220 620 Y C 1.073 176.866 175.900 -0.179 0.000 1.078 620 Y CA 0.950 58.916 58.100 -0.224 0.000 1.881 620 Y CB -2.482 35.838 38.460 -0.233 0.000 1.608 620 Y HN 0.450 nan 8.280 nan 0.000 0.634 621 Q N 0.509 120.284 119.800 -0.043 0.000 2.373 621 Q HA 0.471 4.812 4.340 0.001 0.000 0.255 621 Q C -0.488 175.478 176.000 -0.056 0.000 0.980 621 Q CA -0.074 55.702 55.803 -0.044 0.000 0.882 621 Q CB 1.388 30.103 28.738 -0.039 0.000 1.249 621 Q HN 0.240 nan 8.270 nan 0.000 0.438 622 V N 5.564 125.427 119.914 -0.085 0.000 2.604 622 V HA 0.576 4.696 4.120 0.001 0.000 0.305 622 V C -1.087 174.936 176.094 -0.118 0.000 1.043 622 V CA -0.640 61.604 62.300 -0.093 0.000 0.888 622 V CB 1.816 33.530 31.823 -0.182 0.000 0.995 622 V HN 0.955 nan 8.190 nan 0.000 0.429 623 M N 6.694 126.294 119.600 -0.000 0.000 2.326 623 M HA 0.476 4.957 4.480 0.001 0.000 0.306 623 M C -1.830 174.575 176.300 0.174 0.000 1.054 623 M CA -0.337 54.979 55.300 0.028 0.000 0.922 623 M CB 2.430 35.096 32.600 0.111 0.000 1.632 623 M HN 0.648 nan 8.290 nan 0.000 0.436 624 W N 5.356 126.616 121.300 -0.067 0.000 2.394 624 W HA 0.494 5.155 4.660 0.001 0.000 0.312 624 W C -1.350 175.097 176.519 -0.119 0.000 0.981 624 W CA -0.994 56.307 57.345 -0.073 0.000 1.519 624 W CB 0.334 29.846 29.460 0.086 0.000 1.304 624 W HN 0.460 nan 8.180 nan 0.000 0.412 625 L N 2.849 124.066 121.223 -0.010 0.000 2.265 625 L HA 0.318 4.659 4.340 0.001 0.000 0.288 625 L C 0.827 177.635 176.870 -0.103 0.000 1.058 625 L CA -0.477 54.319 54.840 -0.073 0.000 0.809 625 L CB 0.912 42.891 42.059 -0.134 0.000 1.179 625 L HN 0.154 nan 8.230 nan 0.000 0.429 626 E N 4.438 124.617 120.200 -0.035 0.000 2.003 626 E HA 0.080 4.431 4.350 0.001 0.000 0.279 626 E C 0.861 177.431 176.600 -0.050 0.000 1.132 626 E CA -0.092 56.281 56.400 -0.045 0.000 0.888 626 E CB 0.697 30.419 29.700 0.036 0.000 1.056 626 E HN 0.615 nan 8.360 nan 0.000 0.399 627 I N -0.714 119.800 120.570 -0.093 0.000 3.793 627 I HA 0.391 4.562 4.170 0.001 0.000 0.315 627 I C 0.611 176.701 176.117 -0.045 0.000 1.275 627 I CA -0.218 61.040 61.300 -0.070 0.000 1.214 627 I CB 0.390 38.327 38.000 -0.105 0.000 1.018 627 I HN 0.222 nan 8.210 nan 0.000 0.439 628 A N 0.000 122.788 122.820 -0.053 0.000 2.254 628 A HA 0.000 4.321 4.320 0.001 0.000 0.244 628 A CA 0.000 52.014 52.037 -0.037 0.000 0.836 628 A CB 0.000 18.972 19.000 -0.046 0.000 0.831 628 A HN 0.000 nan 8.150 nan 0.000 0.486