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 1mw1_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 0.000 174.614 174.600 0.023 0.000 1.055 1 S CA 0.000 58.207 58.200 0.012 0.000 1.107 1 S CB 0.000 63.210 63.200 0.017 0.000 0.593 2 P HA 0.441 nan 4.420 nan 0.000 0.274 2 P C -0.944 176.464 177.300 0.180 0.000 1.237 2 P CA -0.475 62.651 63.100 0.044 0.000 0.793 2 P CB 0.269 32.046 31.700 0.128 0.000 0.977 3 N N -1.638 117.134 118.700 0.120 0.000 2.483 3 N HA 0.171 4.912 4.740 0.001 0.000 0.285 3 N C 0.925 176.403 175.510 -0.053 0.000 1.210 3 N CA -0.739 52.392 53.050 0.136 0.000 0.931 3 N CB 0.757 39.295 38.487 0.085 0.000 1.220 3 N HN 0.272 nan 8.380 nan 0.000 0.542 4 S N -0.596 115.024 115.700 -0.134 0.000 2.359 4 S HA -0.287 4.184 4.470 0.001 0.000 0.223 4 S C 1.562 176.054 174.600 -0.180 0.000 1.039 4 S CA 1.503 59.493 58.200 -0.350 0.000 1.042 4 S CB -0.533 62.570 63.200 -0.161 0.000 0.915 4 S HN 0.660 nan 8.310 nan 0.000 0.439 5 Q N -1.128 118.640 119.800 -0.054 0.000 2.061 5 Q HA -0.205 4.136 4.340 0.001 0.000 0.204 5 Q C 2.003 178.022 176.000 0.031 0.000 0.984 5 Q CA 2.137 57.939 55.803 -0.003 0.000 0.846 5 Q CB -0.381 28.372 28.738 0.027 0.000 0.902 5 Q HN 0.820 nan 8.270 nan 0.000 0.421 6 Y N 0.926 121.191 120.300 -0.058 0.000 2.097 6 Y HA -0.266 4.285 4.550 0.001 0.000 0.282 6 Y C 1.901 177.776 175.900 -0.043 0.000 1.152 6 Y CA 1.817 59.894 58.100 -0.038 0.000 1.136 6 Y CB -0.476 37.965 38.460 -0.032 0.000 0.975 6 Y HN 0.077 nan 8.280 nan 0.000 0.498 7 L N 0.188 121.334 121.223 -0.128 0.000 2.079 7 L HA -0.249 4.092 4.340 0.001 0.000 0.210 7 L C 2.457 179.247 176.870 -0.132 0.000 1.081 7 L CA 1.740 56.453 54.840 -0.211 0.000 0.752 7 L CB -0.527 41.396 42.059 -0.227 0.000 0.896 7 L HN 0.204 nan 8.230 nan 0.000 0.433 8 K N -0.474 119.890 120.400 -0.060 0.000 2.097 8 K HA -0.139 4.182 4.320 0.001 0.000 0.205 8 K C 2.187 178.852 176.600 0.109 0.000 1.050 8 K CA 1.819 58.187 56.287 0.135 0.000 0.938 8 K CB -0.270 32.330 32.500 0.167 0.000 0.718 8 K HN 0.488 nan 8.250 nan 0.000 0.442 9 T N -0.641 113.898 114.554 -0.025 0.000 2.788 9 T HA -0.125 4.226 4.350 0.001 0.000 0.268 9 T C 1.914 176.544 174.700 -0.116 0.000 1.044 9 T CA 0.813 62.871 62.100 -0.070 0.000 1.139 9 T CB -0.163 68.651 68.868 -0.091 0.000 0.867 9 T HN 0.163 nan 8.240 nan 0.000 0.454 10 R N 0.406 120.788 120.500 -0.196 0.000 2.148 10 R HA 0.241 4.582 4.340 0.001 0.000 0.223 10 R C 2.499 178.760 176.300 -0.065 0.000 1.088 10 R CA 1.045 57.041 56.100 -0.173 0.000 0.985 10 R CB -0.475 29.656 30.300 -0.282 0.000 0.880 10 R HN 0.445 nan 8.270 nan 0.000 0.451 11 I N 0.895 121.461 120.570 -0.007 0.000 2.252 11 I HA -0.257 3.914 4.170 0.001 0.000 0.245 11 I C 1.902 178.034 176.117 0.026 0.000 1.102 11 I CA 1.267 62.610 61.300 0.072 0.000 1.385 11 I CB -0.103 38.018 38.000 0.203 0.000 1.064 11 I HN 0.150 nan 8.210 nan 0.000 0.414 12 L N 0.108 121.296 121.223 -0.059 0.000 2.465 12 L HA -0.133 4.208 4.340 0.001 0.000 0.224 12 L C 1.447 178.341 176.870 0.041 0.000 1.145 12 L CA 0.484 55.291 54.840 -0.056 0.000 0.834 12 L CB -0.597 41.279 42.059 -0.304 0.000 0.944 12 L HN 0.217 nan 8.230 nan 0.000 0.451 13 D N 0.808 121.193 120.400 -0.024 0.000 2.384 13 D HA -0.121 4.520 4.640 0.001 0.000 0.222 13 D C 2.036 178.305 176.300 -0.051 0.000 0.976 13 D CA 0.978 54.959 54.000 -0.032 0.000 0.915 13 D CB 0.096 40.868 40.800 -0.046 0.000 0.896 13 D HN 0.566 nan 8.370 nan 0.000 0.523 14 I N -3.195 117.304 120.570 -0.119 0.000 3.251 14 I HA -0.001 4.169 4.170 0.001 0.000 0.277 14 I C 0.162 176.091 176.117 -0.313 0.000 1.268 14 I CA 0.071 61.226 61.300 -0.241 0.000 1.449 14 I CB -0.252 37.534 38.000 -0.357 0.000 1.083 14 I HN -0.271 nan 8.210 nan 0.000 0.464 15 Y N 2.429 122.704 120.300 -0.042 0.000 2.335 15 Y HA 0.394 4.945 4.550 0.001 0.000 0.323 15 Y C 1.371 177.243 175.900 -0.048 0.000 1.224 15 Y CA -0.845 57.228 58.100 -0.044 0.000 1.241 15 Y CB 0.874 39.289 38.460 -0.074 0.000 1.235 15 Y HN 0.010 nan 8.280 nan 0.000 0.492 16 T N -1.030 113.603 114.554 0.131 0.000 2.868 16 T HA 0.146 4.496 4.350 0.001 0.000 0.292 16 T C -2.031 172.695 174.700 0.043 0.000 1.028 16 T CA -1.640 60.495 62.100 0.058 0.000 1.059 16 T CB 1.133 70.026 68.868 0.042 0.000 0.991 16 T HN 0.351 nan 8.240 nan 0.000 0.531 17 P HA -0.165 nan 4.420 nan 0.000 0.216 17 P C 1.515 178.803 177.300 -0.019 0.000 1.157 17 P CA 1.384 64.479 63.100 -0.009 0.000 0.880 17 P CB 0.065 31.759 31.700 -0.009 0.000 0.791 18 E N -0.406 119.788 120.200 -0.009 0.000 2.085 18 E HA -0.259 4.092 4.350 0.001 0.000 0.194 18 E C 2.017 178.600 176.600 -0.028 0.000 0.994 18 E CA 1.237 57.628 56.400 -0.016 0.000 0.801 18 E CB -0.264 29.433 29.700 -0.004 0.000 0.743 18 E HN 0.298 nan 8.360 nan 0.000 0.453 19 Q N 0.092 119.887 119.800 -0.008 0.000 2.016 19 Q HA -0.187 4.154 4.340 0.001 0.000 0.200 19 Q C 2.387 178.293 176.000 -0.156 0.000 0.978 19 Q CA 1.445 57.230 55.803 -0.029 0.000 0.833 19 Q CB -0.261 28.538 28.738 0.101 0.000 0.895 19 Q HN 0.178 nan 8.270 nan 0.000 0.427 20 R N 0.750 121.171 120.500 -0.132 0.000 2.112 20 R HA -0.258 4.083 4.340 0.001 0.000 0.242 20 R C 2.230 178.368 176.300 -0.270 0.000 1.137 20 R CA 1.723 57.673 56.100 -0.251 0.000 0.944 20 R CB -0.456 29.764 30.300 -0.133 0.000 0.857 20 R HN 0.285 nan 8.270 nan 0.000 0.435 21 A N -0.072 122.651 122.820 -0.162 0.000 1.917 21 A HA -0.145 4.176 4.320 0.001 0.000 0.219 21 A C 2.378 179.878 177.584 -0.139 0.000 1.182 21 A CA 1.993 53.952 52.037 -0.130 0.000 0.633 21 A CB -1.404 17.549 19.000 -0.077 0.000 0.819 21 A HN 0.650 nan 8.150 nan 0.000 0.448 22 G N -0.121 108.596 108.800 -0.139 0.000 2.421 22 G HA2 -0.141 3.820 3.960 0.001 0.000 0.216 22 G HA3 -0.141 3.820 3.960 0.001 0.000 0.216 22 G C 1.420 176.229 174.900 -0.150 0.000 1.171 22 G CA 1.071 46.102 45.100 -0.114 0.000 0.775 22 G HN 0.359 nan 8.290 nan 0.000 0.543 23 I N 1.399 121.797 120.570 -0.287 0.000 2.179 23 I HA -0.126 4.045 4.170 0.001 0.000 0.242 23 I C 2.557 178.461 176.117 -0.354 0.000 1.088 23 I CA 1.116 62.203 61.300 -0.355 0.000 1.357 23 I CB -1.265 36.290 38.000 -0.742 0.000 1.051 23 I HN 0.339 nan 8.210 nan 0.000 0.409 24 E N 0.557 120.471 120.200 -0.477 0.000 2.331 24 E HA -0.207 4.144 4.350 0.001 0.000 0.199 24 E C 1.500 178.097 176.600 -0.006 0.000 1.008 24 E CA 0.715 56.902 56.400 -0.355 0.000 0.843 24 E CB 0.065 29.596 29.700 -0.281 0.000 0.761 24 E HN 0.410 nan 8.360 nan 0.000 0.507 25 K N 0.408 120.799 120.400 -0.015 0.000 2.355 25 K HA 0.074 4.395 4.320 0.001 0.000 0.198 25 K C 0.847 177.499 176.600 0.086 0.000 1.039 25 K CA 0.092 56.406 56.287 0.045 0.000 1.075 25 K CB 0.713 33.218 32.500 0.008 0.000 0.870 25 K HN 0.030 nan 8.250 nan 0.000 0.540 26 S N 0.880 116.646 115.700 0.109 0.000 2.584 26 S HA 0.057 4.528 4.470 0.001 0.000 0.270 26 S C 1.277 176.005 174.600 0.214 0.000 1.346 26 S CA -0.299 57.993 58.200 0.154 0.000 1.018 26 S CB 1.637 64.949 63.200 0.186 0.000 0.899 26 S HN 0.105 nan 8.310 nan 0.000 0.542 27 E N 1.084 121.394 120.200 0.184 0.000 2.047 27 E HA -0.125 4.226 4.350 0.001 0.000 0.191 27 E C 1.198 177.964 176.600 0.276 0.000 0.987 27 E CA 1.762 58.272 56.400 0.183 0.000 0.799 27 E CB -0.515 29.265 29.700 0.133 0.000 0.752 27 E HN 0.741 nan 8.360 nan 0.000 0.449 28 D N -0.043 120.569 120.400 0.353 0.000 2.116 28 D HA -0.204 4.437 4.640 0.001 0.000 0.193 28 D C 1.591 178.315 176.300 0.706 0.000 0.998 28 D CA 1.156 55.495 54.000 0.565 0.000 0.836 28 D CB -0.696 40.402 40.800 0.496 0.000 0.951 28 D HN 0.407 nan 8.370 nan 0.000 0.449 29 W N 2.026 123.572 121.300 0.409 0.000 2.363 29 W HA -0.135 4.526 4.660 0.001 0.000 0.296 29 W C 2.199 178.790 176.519 0.120 0.000 1.212 29 W CA 0.828 58.241 57.345 0.113 0.000 1.260 29 W CB -0.143 29.224 29.460 -0.155 0.000 1.131 29 W HN -0.043 nan 8.180 nan 0.000 0.530 30 R N 0.314 120.894 120.500 0.133 0.000 2.081 30 R HA -0.201 4.140 4.340 0.001 0.000 0.235 30 R C 2.299 178.553 176.300 -0.076 0.000 1.131 30 R CA 1.644 57.743 56.100 -0.002 0.000 0.960 30 R CB -0.420 29.928 30.300 0.081 0.000 0.856 30 R HN 0.203 nan 8.270 nan 0.000 0.436 31 Q N -0.370 119.449 119.800 0.032 0.000 2.046 31 Q HA -0.178 4.162 4.340 0.001 0.000 0.200 31 Q C 1.932 177.841 176.000 -0.151 0.000 0.975 31 Q CA 1.339 57.136 55.803 -0.012 0.000 0.836 31 Q CB -0.451 28.358 28.738 0.118 0.000 0.896 31 Q HN 0.323 nan 8.270 nan 0.000 0.428 32 F N 1.447 121.211 119.950 -0.310 0.000 2.126 32 F HA -0.224 4.304 4.527 0.001 0.000 0.299 32 F C 2.655 178.142 175.800 -0.521 0.000 1.096 32 F CA 1.691 59.437 58.000 -0.424 0.000 1.255 32 F CB -0.358 38.517 39.000 -0.209 0.000 0.997 32 F HN 0.002 nan 8.300 nan 0.000 0.479 33 S N 0.080 115.361 115.700 -0.698 0.000 2.368 33 S HA -0.246 4.225 4.470 0.001 0.000 0.225 33 S C 2.366 176.694 174.600 -0.453 0.000 1.030 33 S CA 1.483 59.239 58.200 -0.740 0.000 0.999 33 S CB -0.515 62.229 63.200 -0.759 0.000 0.844 33 S HN 0.549 nan 8.310 nan 0.000 0.459 34 R N 0.312 120.616 120.500 -0.327 0.000 2.073 34 R HA -0.013 4.328 4.340 0.001 0.000 0.234 34 R C 2.520 178.682 176.300 -0.230 0.000 1.134 34 R CA 1.555 57.522 56.100 -0.222 0.000 0.952 34 R CB -0.229 29.981 30.300 -0.149 0.000 0.850 34 R HN 0.350 nan 8.270 nan 0.000 0.433 35 R N -0.407 119.945 120.500 -0.247 0.000 2.115 35 R HA -0.039 4.301 4.340 0.001 0.000 0.230 35 R C 2.421 178.610 176.300 -0.185 0.000 1.111 35 R CA 1.342 57.359 56.100 -0.137 0.000 0.976 35 R CB -0.173 30.051 30.300 -0.127 0.000 0.870 35 R HN 0.246 nan 8.270 nan 0.000 0.445 36 M N 0.936 120.288 119.600 -0.413 0.000 2.065 36 M HA -0.180 4.301 4.480 0.001 0.000 0.259 36 M C 1.354 177.560 176.300 -0.156 0.000 1.069 36 M CA 1.748 56.828 55.300 -0.366 0.000 1.110 36 M CB -0.723 31.515 32.600 -0.605 0.000 1.328 36 M HN 0.055 nan 8.290 nan 0.000 0.405 37 D N -0.522 119.760 120.400 -0.196 0.000 2.149 37 D HA -0.116 4.525 4.640 0.001 0.000 0.198 37 D C 1.914 178.137 176.300 -0.129 0.000 0.990 37 D CA 1.622 55.548 54.000 -0.123 0.000 0.839 37 D CB -0.342 40.377 40.800 -0.134 0.000 0.948 37 D HN 0.348 nan 8.370 nan 0.000 0.460 38 T N -0.122 114.293 114.554 -0.232 0.000 2.812 38 T HA -0.073 4.277 4.350 0.001 0.000 0.264 38 T C 1.469 175.886 174.700 -0.473 0.000 1.042 38 T CA 0.879 62.740 62.100 -0.399 0.000 1.140 38 T CB -0.016 68.479 68.868 -0.620 0.000 0.870 38 T HN 0.326 nan 8.240 nan 0.000 0.445 39 H N -1.020 118.008 119.070 -0.070 0.000 2.750 39 H HA 0.278 4.834 4.556 0.001 0.000 0.263 39 H C 1.776 177.078 175.328 -0.043 0.000 0.964 39 H CA -0.159 55.849 56.048 -0.066 0.000 1.205 39 H CB -0.146 29.566 29.762 -0.083 0.000 1.454 39 H HN 0.282 nan 8.280 nan 0.000 0.503 40 F N 3.307 123.238 119.950 -0.031 0.000 2.126 40 F HA -0.044 4.483 4.527 0.001 0.000 0.299 40 F C -0.906 174.876 175.800 -0.029 0.000 1.096 40 F CA 0.432 58.412 58.000 -0.034 0.000 1.255 40 F CB -0.947 38.016 39.000 -0.062 0.000 0.997 40 F HN 0.046 nan 8.300 nan 0.000 0.479 41 P HA -0.210 nan 4.420 nan 0.000 0.216 41 P C 1.276 178.409 177.300 -0.278 0.000 1.150 41 P CA 2.237 65.197 63.100 -0.234 0.000 0.843 41 P CB -0.093 31.556 31.700 -0.086 0.000 0.787 42 K N -1.087 119.195 120.400 -0.197 0.000 2.057 42 K HA -0.112 4.208 4.320 0.001 0.000 0.206 42 K C 1.971 178.443 176.600 -0.213 0.000 1.050 42 K CA 0.972 57.165 56.287 -0.157 0.000 0.935 42 K CB -0.896 31.562 32.500 -0.070 0.000 0.715 42 K HN 0.053 nan 8.250 nan 0.000 0.439 43 L N 1.106 122.169 121.223 -0.266 0.000 2.017 43 L HA -0.164 4.177 4.340 0.001 0.000 0.208 43 L C 2.312 178.953 176.870 -0.381 0.000 1.073 43 L CA 1.654 56.332 54.840 -0.270 0.000 0.745 43 L CB -0.431 41.506 42.059 -0.202 0.000 0.894 43 L HN 0.137 nan 8.230 nan 0.000 0.432 44 M N -0.052 119.165 119.600 -0.638 0.000 2.086 44 M HA -0.202 4.278 4.480 0.001 0.000 0.261 44 M C 2.091 178.216 176.300 -0.293 0.000 1.067 44 M CA 2.092 57.084 55.300 -0.513 0.000 1.116 44 M CB -0.812 31.386 32.600 -0.669 0.000 1.348 44 M HN 0.483 nan 8.290 nan 0.000 0.407 45 N N -0.143 118.395 118.700 -0.269 0.000 2.069 45 N HA -0.185 4.555 4.740 0.001 0.000 0.191 45 N C 1.513 176.910 175.510 -0.188 0.000 1.031 45 N CA 1.835 54.771 53.050 -0.190 0.000 0.852 45 N CB -0.125 38.265 38.487 -0.162 0.000 1.018 45 N HN 0.385 nan 8.380 nan 0.000 0.423 46 E N 0.424 120.503 120.200 -0.202 0.000 2.051 46 E HA -0.122 4.229 4.350 0.001 0.000 0.192 46 E C 2.183 178.626 176.600 -0.262 0.000 0.991 46 E CA 0.737 57.011 56.400 -0.209 0.000 0.799 46 E CB -0.499 29.091 29.700 -0.182 0.000 0.748 46 E HN 0.478 nan 8.360 nan 0.000 0.449 47 L N 0.843 121.907 121.223 -0.266 0.000 2.083 47 L HA -0.206 4.134 4.340 0.001 0.000 0.209 47 L C 2.339 179.121 176.870 -0.147 0.000 1.083 47 L CA 1.477 56.177 54.840 -0.233 0.000 0.752 47 L CB -0.402 41.534 42.059 -0.205 0.000 0.899 47 L HN 0.116 nan 8.230 nan 0.000 0.433 48 D N -0.233 120.080 120.400 -0.145 0.000 2.144 48 D HA -0.187 4.454 4.640 0.001 0.000 0.200 48 D C 2.262 178.476 176.300 -0.143 0.000 0.978 48 D CA 1.297 55.233 54.000 -0.107 0.000 0.833 48 D CB 0.149 40.889 40.800 -0.100 0.000 0.961 48 D HN 0.266 nan 8.370 nan 0.000 0.470 49 S N -0.892 114.694 115.700 -0.190 0.000 2.419 49 S HA -0.108 4.362 4.470 0.001 0.000 0.233 49 S C 1.947 176.368 174.600 -0.298 0.000 1.016 49 S CA 1.099 59.173 58.200 -0.211 0.000 0.974 49 S CB -0.274 62.799 63.200 -0.211 0.000 0.786 49 S HN 0.179 nan 8.310 nan 0.000 0.492 50 V N -0.370 119.296 119.914 -0.413 0.000 2.492 50 V HA 0.127 4.248 4.120 0.001 0.000 0.241 50 V C 1.856 177.609 176.094 -0.569 0.000 1.041 50 V CA 0.957 62.857 62.300 -0.667 0.000 1.057 50 V CB -0.731 30.495 31.823 -0.995 0.000 0.711 50 V HN 0.473 nan 8.190 nan 0.000 0.468 51 Y N 0.831 121.036 120.300 -0.159 0.000 2.500 51 Y HA 0.461 5.012 4.550 0.001 0.000 0.270 51 Y C 1.886 177.748 175.900 -0.064 0.000 1.134 51 Y CA 0.188 58.235 58.100 -0.087 0.000 1.293 51 Y CB -0.570 37.815 38.460 -0.126 0.000 1.063 51 Y HN 0.316 nan 8.280 nan 0.000 0.534 52 G N 1.242 110.056 108.800 0.024 0.000 2.629 52 G HA2 -0.402 3.559 3.960 0.001 0.000 0.313 52 G HA3 -0.402 3.559 3.960 0.001 0.000 0.313 52 G C 0.797 175.711 174.900 0.024 0.000 1.217 52 G CA 0.703 45.808 45.100 0.009 0.000 0.994 52 G HN 0.364 nan 8.290 nan 0.000 0.549 53 N N 2.332 121.049 118.700 0.027 0.000 2.295 53 N HA 0.060 4.800 4.740 0.001 0.000 0.221 53 N C 0.585 176.111 175.510 0.026 0.000 1.129 53 N CA -0.120 52.943 53.050 0.021 0.000 0.836 53 N CB -0.249 38.248 38.487 0.017 0.000 1.040 53 N HN 0.514 nan 8.380 nan 0.000 0.494 54 N N 2.072 120.795 118.700 0.039 0.000 2.359 54 N HA -0.112 4.629 4.740 0.001 0.000 0.261 54 N C 1.145 176.649 175.510 -0.010 0.000 1.267 54 N CA 0.287 53.352 53.050 0.025 0.000 0.864 54 N CB 1.008 39.508 38.487 0.023 0.000 1.063 54 N HN 0.252 nan 8.380 nan 0.000 0.474 55 E N 3.625 123.830 120.200 0.008 0.000 2.204 55 E HA -0.129 4.221 4.350 0.001 0.000 0.195 55 E C 1.270 177.870 176.600 0.001 0.000 0.990 55 E CA 1.673 58.083 56.400 0.017 0.000 0.821 55 E CB -0.310 29.416 29.700 0.043 0.000 0.750 55 E HN 0.530 nan 8.360 nan 0.000 0.477 56 A N 0.303 123.092 122.820 -0.051 0.000 2.208 56 A HA 0.194 4.515 4.320 0.001 0.000 0.209 56 A C 1.925 179.296 177.584 -0.355 0.000 1.161 56 A CA 0.467 52.421 52.037 -0.139 0.000 0.782 56 A CB -0.427 18.456 19.000 -0.195 0.000 0.816 56 A HN 0.282 nan 8.150 nan 0.000 0.477 57 L N -0.231 120.829 121.223 -0.271 0.000 1.994 57 L HA -0.119 4.221 4.340 0.001 0.000 0.208 57 L C 2.199 178.970 176.870 -0.165 0.000 1.071 57 L CA 1.900 56.574 54.840 -0.277 0.000 0.745 57 L CB -0.546 41.425 42.059 -0.147 0.000 0.892 57 L HN 0.457 nan 8.230 nan 0.000 0.431 58 L N -0.559 120.626 121.223 -0.062 0.000 1.994 58 L HA -0.147 4.194 4.340 0.001 0.000 0.208 58 L C -0.226 176.663 176.870 0.031 0.000 1.071 58 L CA 1.636 56.485 54.840 0.016 0.000 0.745 58 L CB -1.410 40.678 42.059 0.049 0.000 0.892 58 L HN 0.231 nan 8.230 nan 0.000 0.431 59 P HA -0.236 nan 4.420 nan 0.000 0.215 59 P C 1.803 179.167 177.300 0.107 0.000 1.153 59 P CA 1.437 64.613 63.100 0.126 0.000 0.853 59 P CB -0.174 31.663 31.700 0.228 0.000 0.788 60 M N -0.913 118.562 119.600 -0.209 0.000 2.132 60 M HA -0.114 4.367 4.480 0.001 0.000 0.263 60 M C 1.863 178.128 176.300 -0.059 0.000 1.065 60 M CA 1.789 56.850 55.300 -0.399 0.000 1.122 60 M CB -1.368 30.637 32.600 -0.992 0.000 1.365 60 M HN -0.095 nan 8.290 nan 0.000 0.411 61 L N 1.394 122.595 121.223 -0.037 0.000 2.012 61 L HA -0.174 4.167 4.340 0.001 0.000 0.210 61 L C 2.120 179.082 176.870 0.153 0.000 1.073 61 L CA 2.039 56.932 54.840 0.089 0.000 0.748 61 L CB -0.902 41.224 42.059 0.112 0.000 0.891 61 L HN 0.385 nan 8.230 nan 0.000 0.431 62 E N -1.064 119.218 120.200 0.136 0.000 2.150 62 E HA -0.274 4.076 4.350 0.001 0.000 0.193 62 E C 2.163 178.860 176.600 0.162 0.000 0.985 62 E CA 1.470 57.954 56.400 0.140 0.000 0.814 62 E CB -0.246 29.525 29.700 0.118 0.000 0.752 62 E HN 0.575 nan 8.360 nan 0.000 0.466 63 M N 0.755 120.464 119.600 0.181 0.000 2.132 63 M HA -0.157 4.324 4.480 0.001 0.000 0.263 63 M C 2.290 178.716 176.300 0.210 0.000 1.065 63 M CA 1.062 56.484 55.300 0.204 0.000 1.122 63 M CB 0.030 32.799 32.600 0.281 0.000 1.365 63 M HN 0.140 nan 8.290 nan 0.000 0.411 64 L N 0.814 122.168 121.223 0.218 0.000 2.046 64 L HA -0.157 4.184 4.340 0.001 0.000 0.208 64 L C 1.960 178.987 176.870 0.262 0.000 1.077 64 L CA 1.854 56.836 54.840 0.235 0.000 0.747 64 L CB -0.689 41.521 42.059 0.252 0.000 0.896 64 L HN 0.366 nan 8.230 nan 0.000 0.432 65 L N -0.819 120.566 121.223 0.270 0.000 2.093 65 L HA -0.133 4.208 4.340 0.001 0.000 0.208 65 L C 2.657 179.744 176.870 0.361 0.000 1.085 65 L CA 1.028 56.067 54.840 0.332 0.000 0.755 65 L CB -0.938 41.288 42.059 0.277 0.000 0.904 65 L HN 0.360 nan 8.230 nan 0.000 0.435 66 A N -0.509 122.477 122.820 0.278 0.000 1.902 66 A HA -0.275 4.046 4.320 0.001 0.000 0.217 66 A C 2.265 180.002 177.584 0.255 0.000 1.181 66 A CA 1.744 53.943 52.037 0.270 0.000 0.623 66 A CB -0.507 18.605 19.000 0.186 0.000 0.818 66 A HN 0.454 nan 8.150 nan 0.000 0.443 67 Q N -0.758 119.173 119.800 0.220 0.000 2.084 67 Q HA -0.107 4.234 4.340 0.001 0.000 0.202 67 Q C 2.249 178.366 176.000 0.195 0.000 0.978 67 Q CA 1.440 57.352 55.803 0.182 0.000 0.844 67 Q CB -0.329 28.521 28.738 0.185 0.000 0.898 67 Q HN 0.642 nan 8.270 nan 0.000 0.426 68 A N 0.797 123.781 122.820 0.274 0.000 1.902 68 A HA -0.215 4.106 4.320 0.001 0.000 0.217 68 A C 1.810 179.569 177.584 0.292 0.000 1.181 68 A CA 1.304 53.542 52.037 0.335 0.000 0.623 68 A CB -1.326 17.953 19.000 0.464 0.000 0.818 68 A HN 0.830 nan 8.150 nan 0.000 0.443 69 W N 0.408 121.688 121.300 -0.034 0.000 2.379 69 W HA -0.184 4.477 4.660 0.001 0.000 0.307 69 W C 1.890 178.354 176.519 -0.092 0.000 1.200 69 W CA 1.600 58.678 57.345 -0.446 0.000 1.297 69 W CB -0.207 28.999 29.460 -0.423 0.000 1.140 69 W HN 0.359 nan 8.180 nan 0.000 0.507 70 Q N 0.447 120.062 119.800 -0.309 0.000 2.096 70 Q HA -0.205 4.136 4.340 0.001 0.000 0.204 70 Q C 2.336 178.167 176.000 -0.282 0.000 0.982 70 Q CA 1.968 57.543 55.803 -0.381 0.000 0.850 70 Q CB -1.116 27.556 28.738 -0.110 0.000 0.901 70 Q HN 0.282 nan 8.270 nan 0.000 0.422 71 S N -0.221 115.421 115.700 -0.096 0.000 2.356 71 S HA -0.179 4.292 4.470 0.001 0.000 0.223 71 S C 1.889 176.452 174.600 -0.061 0.000 1.032 71 S CA 0.994 59.179 58.200 -0.026 0.000 1.005 71 S CB -0.298 62.954 63.200 0.088 0.000 0.867 71 S HN 0.462 nan 8.310 nan 0.000 0.449 72 Y N 1.602 121.820 120.300 -0.136 0.000 2.242 72 Y HA 0.021 4.572 4.550 0.001 0.000 0.291 72 Y C 2.784 178.533 175.900 -0.251 0.000 1.137 72 Y CA 1.601 59.644 58.100 -0.095 0.000 1.181 72 Y CB -0.872 37.641 38.460 0.088 0.000 0.989 72 Y HN 0.360 nan 8.280 nan 0.000 0.527 73 S N -0.204 115.120 115.700 -0.627 0.000 2.356 73 S HA -0.248 4.223 4.470 0.001 0.000 0.223 73 S C 1.826 176.159 174.600 -0.444 0.000 1.032 73 S CA 1.851 59.606 58.200 -0.741 0.000 1.005 73 S CB -0.271 62.248 63.200 -1.135 0.000 0.867 73 S HN 0.718 nan 8.310 nan 0.000 0.449 74 Q N 0.329 119.921 119.800 -0.346 0.000 2.297 74 Q HA 0.065 4.406 4.340 0.001 0.000 0.204 74 Q C 0.978 176.856 176.000 -0.203 0.000 0.962 74 Q CA 0.175 55.848 55.803 -0.217 0.000 0.879 74 Q CB -0.112 28.540 28.738 -0.144 0.000 0.947 74 Q HN 0.423 nan 8.270 nan 0.000 0.462 75 R N 2.874 123.217 120.500 -0.263 0.000 2.523 75 R HA -0.075 4.266 4.340 0.001 0.000 0.281 75 R C 0.048 176.222 176.300 -0.210 0.000 0.969 75 R CA -0.024 55.937 56.100 -0.232 0.000 1.093 75 R CB 0.253 30.369 30.300 -0.305 0.000 0.917 75 R HN 0.114 nan 8.270 nan 0.000 0.408 76 N N 2.331 120.951 118.700 -0.134 0.000 2.412 76 N HA -0.084 4.656 4.740 0.001 0.000 0.254 76 N C 0.186 175.633 175.510 -0.103 0.000 1.232 76 N CA 0.437 53.426 53.050 -0.101 0.000 0.880 76 N CB 0.995 39.444 38.487 -0.065 0.000 1.076 76 N HN 0.581 nan 8.380 nan 0.000 0.458 77 S N 2.400 118.048 115.700 -0.086 0.000 2.374 77 S HA -0.149 4.322 4.470 0.001 0.000 0.227 77 S C 1.909 176.475 174.600 -0.058 0.000 1.037 77 S CA 1.446 59.603 58.200 -0.070 0.000 1.024 77 S CB -0.160 63.011 63.200 -0.049 0.000 0.861 77 S HN 0.680 nan 8.310 nan 0.000 0.456 78 S N 1.516 117.184 115.700 -0.053 0.000 2.399 78 S HA 0.042 4.513 4.470 0.001 0.000 0.231 78 S C 1.748 176.302 174.600 -0.078 0.000 1.022 78 S CA 0.867 59.032 58.200 -0.057 0.000 0.983 78 S CB -0.384 62.791 63.200 -0.042 0.000 0.803 78 S HN 0.386 nan 8.310 nan 0.000 0.480 79 L N 0.780 121.962 121.223 -0.069 0.000 2.109 79 L HA -0.032 4.309 4.340 0.001 0.000 0.207 79 L C 2.316 179.151 176.870 -0.057 0.000 1.086 79 L CA 1.073 55.869 54.840 -0.073 0.000 0.760 79 L CB -0.426 41.604 42.059 -0.049 0.000 0.910 79 L HN 0.222 nan 8.230 nan 0.000 0.437 80 K N -0.021 120.351 120.400 -0.047 0.000 2.209 80 K HA -0.157 4.163 4.320 0.001 0.000 0.204 80 K C 1.585 178.187 176.600 0.004 0.000 1.048 80 K CA 1.184 57.475 56.287 0.006 0.000 0.940 80 K CB -0.067 32.422 32.500 -0.019 0.000 0.729 80 K HN 0.273 nan 8.250 nan 0.000 0.451 81 D N 0.752 121.130 120.400 -0.036 0.000 2.144 81 D HA -0.108 4.533 4.640 0.001 0.000 0.200 81 D C 1.792 178.042 176.300 -0.083 0.000 0.978 81 D CA 0.867 54.838 54.000 -0.048 0.000 0.833 81 D CB 0.042 40.806 40.800 -0.061 0.000 0.961 81 D HN 0.094 nan 8.370 nan 0.000 0.470 82 I N 1.548 122.046 120.570 -0.120 0.000 2.315 82 I HA -0.171 4.000 4.170 0.001 0.000 0.248 82 I C 1.738 177.769 176.117 -0.144 0.000 1.117 82 I CA 1.000 62.187 61.300 -0.188 0.000 1.404 82 I CB -0.908 36.940 38.000 -0.253 0.000 1.071 82 I HN -0.067 nan 8.210 nan 0.000 0.419 83 D N 1.303 121.667 120.400 -0.060 0.000 2.092 83 D HA -0.172 4.469 4.640 0.001 0.000 0.193 83 D C 2.358 178.654 176.300 -0.007 0.000 0.994 83 D CA 1.348 55.347 54.000 -0.001 0.000 0.828 83 D CB -0.166 40.688 40.800 0.091 0.000 0.963 83 D HN 0.324 nan 8.370 nan 0.000 0.450 84 I N 1.206 121.774 120.570 -0.003 0.000 2.226 84 I HA -0.260 3.911 4.170 0.001 0.000 0.245 84 I C 2.542 178.638 176.117 -0.034 0.000 1.100 84 I CA 0.972 62.270 61.300 -0.005 0.000 1.374 84 I CB -0.241 37.760 38.000 0.003 0.000 1.057 84 I HN -0.076 nan 8.210 nan 0.000 0.413 85 A N 1.054 123.828 122.820 -0.076 0.000 1.858 85 A HA -0.209 4.112 4.320 0.001 0.000 0.216 85 A C 2.408 179.922 177.584 -0.116 0.000 1.190 85 A CA 1.629 53.602 52.037 -0.106 0.000 0.617 85 A CB -0.585 18.317 19.000 -0.164 0.000 0.827 85 A HN 0.315 nan 8.150 nan 0.000 0.443 86 R N -0.828 119.569 120.500 -0.172 0.000 2.115 86 R HA -0.068 4.273 4.340 0.001 0.000 0.226 86 R C 2.193 178.531 176.300 0.064 0.000 1.100 86 R CA 1.132 57.147 56.100 -0.140 0.000 0.980 86 R CB -0.227 29.889 30.300 -0.307 0.000 0.875 86 R HN 0.782 nan 8.270 nan 0.000 0.445 87 E N 0.770 120.993 120.200 0.039 0.000 2.204 87 E HA -0.157 4.194 4.350 0.001 0.000 0.195 87 E C 0.851 177.471 176.600 0.033 0.000 0.990 87 E CA 0.963 57.392 56.400 0.050 0.000 0.821 87 E CB 0.175 29.891 29.700 0.026 0.000 0.750 87 E HN 0.270 nan 8.360 nan 0.000 0.477 88 N N 0.329 119.039 118.700 0.017 0.000 2.203 88 N HA -0.009 4.732 4.740 0.001 0.000 0.207 88 N C -0.366 175.157 175.510 0.022 0.000 1.130 88 N CA 0.137 53.193 53.050 0.010 0.000 0.861 88 N CB 0.642 39.129 38.487 -0.000 0.000 1.005 88 N HN 0.026 nan 8.380 nan 0.000 0.507 89 N N 0.866 119.596 118.700 0.051 0.000 2.697 89 N HA 0.177 4.918 4.740 0.001 0.000 0.253 89 N C -2.072 173.567 175.510 0.215 0.000 1.604 89 N CA -1.454 51.652 53.050 0.094 0.000 0.772 89 N CB 1.031 39.559 38.487 0.069 0.000 1.267 89 N HN -0.132 nan 8.380 nan 0.000 0.510 90 P HA -0.046 nan 4.420 nan 0.000 0.221 90 P C -0.210 177.246 177.300 0.260 0.000 1.145 90 P CA 1.050 64.303 63.100 0.255 0.000 0.795 90 P CB 0.439 32.089 31.700 -0.083 0.000 0.775 91 D N -0.793 119.726 120.400 0.199 0.000 2.325 91 D HA -0.025 4.615 4.640 0.001 0.000 0.225 91 D C 1.742 178.077 176.300 0.058 0.000 1.096 91 D CA -0.092 53.983 54.000 0.125 0.000 0.844 91 D CB -0.863 40.026 40.800 0.149 0.000 0.925 91 D HN 0.422 nan 8.370 nan 0.000 0.513 92 W N 1.469 122.744 121.300 -0.041 0.000 2.364 92 W HA -0.154 4.507 4.660 0.001 0.000 0.281 92 W C 1.382 177.855 176.519 -0.077 0.000 1.219 92 W CA 0.517 57.813 57.345 -0.081 0.000 1.220 92 W CB -1.113 28.255 29.460 -0.153 0.000 1.127 92 W HN 0.087 nan 8.180 nan 0.000 0.556 93 I N -0.876 119.131 120.570 -0.938 0.000 2.830 93 I HA -0.083 4.088 4.170 0.001 0.000 0.263 93 I C 2.003 177.905 176.117 -0.359 0.000 1.230 93 I CA 1.099 61.866 61.300 -0.888 0.000 1.480 93 I CB -0.766 36.709 38.000 -0.874 0.000 1.095 93 I HN -0.092 nan 8.210 nan 0.000 0.455 94 L N 0.780 121.882 121.223 -0.202 0.000 2.592 94 L HA 0.179 4.520 4.340 0.001 0.000 0.227 94 L C 1.351 178.199 176.870 -0.037 0.000 1.127 94 L CA -0.132 54.653 54.840 -0.092 0.000 0.884 94 L CB 0.001 42.031 42.059 -0.049 0.000 1.065 94 L HN 0.210 nan 8.230 nan 0.000 0.457 95 S N 1.007 116.693 115.700 -0.025 0.000 2.549 95 S HA -0.032 4.439 4.470 0.001 0.000 0.283 95 S C 1.510 176.117 174.600 0.013 0.000 1.320 95 S CA -0.531 57.680 58.200 0.018 0.000 1.058 95 S CB 0.448 63.679 63.200 0.053 0.000 0.882 95 S HN 0.457 nan 8.310 nan 0.000 0.498 96 N N 4.950 123.668 118.700 0.030 0.000 2.453 96 N HA -0.119 4.622 4.740 0.001 0.000 0.183 96 N C 0.952 176.461 175.510 -0.001 0.000 1.041 96 N CA 0.795 53.861 53.050 0.026 0.000 0.900 96 N CB -0.176 38.355 38.487 0.073 0.000 0.961 96 N HN 0.627 nan 8.380 nan 0.000 0.443 97 K N -0.084 120.326 120.400 0.018 0.000 2.283 97 K HA 0.012 4.332 4.320 0.001 0.000 0.202 97 K C 0.345 176.958 176.600 0.021 0.000 1.048 97 K CA 0.526 56.824 56.287 0.019 0.000 0.948 97 K CB 0.081 32.605 32.500 0.040 0.000 0.742 97 K HN 0.285 nan 8.250 nan 0.000 0.458 98 Q N 1.022 120.833 119.800 0.018 0.000 2.304 98 Q HA 0.228 4.568 4.340 0.001 0.000 0.260 98 Q C -0.678 175.303 176.000 -0.031 0.000 0.965 98 Q CA 0.092 55.904 55.803 0.016 0.000 0.898 98 Q CB 1.758 30.494 28.738 -0.003 0.000 1.196 98 Q HN -0.145 nan 8.270 nan 0.000 0.402 99 V N 1.362 121.261 119.914 -0.026 0.000 2.697 99 V HA 0.604 4.725 4.120 0.001 0.000 0.300 99 V C 0.000 176.062 176.094 -0.054 0.000 1.115 99 V CA -0.797 61.471 62.300 -0.053 0.000 0.912 99 V CB 2.178 33.984 31.823 -0.028 0.000 1.024 99 V HN 0.858 nan 8.190 nan 0.000 0.431 100 G N 2.206 110.912 108.800 -0.158 0.000 2.537 100 G HA2 0.865 4.826 3.960 0.001 0.000 0.323 100 G HA3 0.865 4.826 3.960 0.001 0.000 0.323 100 G C -0.345 174.552 174.900 -0.004 0.000 1.207 100 G CA -0.325 44.706 45.100 -0.116 0.000 0.976 100 G HN 1.116 nan 8.290 nan 0.000 0.487 101 G N -2.090 106.755 108.800 0.074 0.000 2.672 101 G HA2 0.688 4.648 3.960 0.001 0.000 0.292 101 G HA3 0.688 4.648 3.960 0.001 0.000 0.292 101 G C -1.778 173.136 174.900 0.023 0.000 1.375 101 G CA -0.492 44.620 45.100 0.019 0.000 0.890 101 G HN 1.373 nan 8.290 nan 0.000 0.476 102 V N -0.387 119.505 119.914 -0.036 0.000 2.888 102 V HA 0.802 4.923 4.120 0.001 0.000 0.309 102 V C -0.551 175.365 176.094 -0.296 0.000 1.114 102 V CA -0.199 62.036 62.300 -0.109 0.000 0.940 102 V CB 1.282 33.143 31.823 0.064 0.000 1.021 102 V HN 1.799 nan 8.190 nan 0.000 0.426 103 C N 3.514 122.597 119.300 -0.363 0.000 3.312 103 C HA 0.697 5.158 4.460 0.001 0.000 0.332 103 C C -1.457 173.402 174.990 -0.220 0.000 1.340 103 C CA -1.088 57.755 59.018 -0.292 0.000 1.265 103 C CB 0.873 28.372 27.740 -0.401 0.000 1.563 103 C HN 0.863 nan 8.230 nan 0.000 0.471 104 Y N 1.313 121.599 120.300 -0.024 0.000 2.313 104 Y HA 0.397 4.947 4.550 0.001 0.000 0.332 104 Y C 1.507 177.461 175.900 0.088 0.000 1.071 104 Y CA 0.084 58.199 58.100 0.025 0.000 1.169 104 Y CB 1.384 39.906 38.460 0.102 0.000 1.192 104 Y HN 0.601 nan 8.280 nan 0.000 0.487 105 V N 2.521 122.538 119.914 0.171 0.000 2.343 105 V HA -0.298 3.822 4.120 0.001 0.000 0.247 105 V C 1.906 178.096 176.094 0.160 0.000 1.051 105 V CA 2.318 64.705 62.300 0.144 0.000 1.036 105 V CB -0.381 31.476 31.823 0.057 0.000 0.654 105 V HN 0.916 nan 8.190 nan 0.000 0.451 106 D N 0.401 120.898 120.400 0.162 0.000 2.097 106 D HA -0.175 4.466 4.640 0.001 0.000 0.197 106 D C 2.070 178.449 176.300 0.131 0.000 0.984 106 D CA 1.421 55.490 54.000 0.114 0.000 0.826 106 D CB -0.526 40.330 40.800 0.093 0.000 0.973 106 D HN 0.428 nan 8.370 nan 0.000 0.460 107 L N -1.130 120.212 121.223 0.198 0.000 2.056 107 L HA -0.063 4.277 4.340 0.001 0.000 0.207 107 L C 2.697 179.713 176.870 0.242 0.000 1.078 107 L CA 0.981 55.940 54.840 0.198 0.000 0.749 107 L CB -0.511 41.673 42.059 0.208 0.000 0.901 107 L HN -0.052 nan 8.230 nan 0.000 0.433 108 F N 0.146 120.187 119.950 0.151 0.000 2.270 108 F HA 0.085 4.613 4.527 0.001 0.000 0.295 108 F C 1.880 177.644 175.800 -0.061 0.000 1.087 108 F CA 1.007 59.087 58.000 0.133 0.000 1.365 108 F CB 0.191 39.292 39.000 0.169 0.000 1.056 108 F HN -0.053 nan 8.300 nan 0.000 0.506 109 A N -1.344 121.516 122.820 0.066 0.000 2.630 109 A HA 0.577 4.897 4.320 0.001 0.000 0.287 109 A C 1.299 178.837 177.584 -0.076 0.000 1.040 109 A CA 0.490 52.462 52.037 -0.109 0.000 0.971 109 A CB -0.621 18.384 19.000 0.008 0.000 1.241 109 A HN 0.707 nan 8.150 nan 0.000 0.558 110 G N 0.916 109.699 108.800 -0.029 0.000 5.155 110 G HA2 -0.299 3.662 3.960 0.001 0.000 0.239 110 G HA3 -0.299 3.662 3.960 0.001 0.000 0.239 110 G C 0.055 174.951 174.900 -0.007 0.000 1.409 110 G CA 1.227 46.311 45.100 -0.027 0.000 0.927 110 G HN 1.393 nan 8.290 nan 0.000 0.710 111 D N -0.942 119.449 120.400 -0.015 0.000 2.664 111 D HA 0.602 5.242 4.640 0.001 0.000 0.292 111 D C 1.320 177.614 176.300 -0.010 0.000 1.214 111 D CA -0.308 53.684 54.000 -0.013 0.000 0.932 111 D CB 0.063 40.847 40.800 -0.027 0.000 1.420 111 D HN 0.327 nan 8.370 nan 0.000 0.471 112 L N -0.332 120.879 121.223 -0.020 0.000 2.012 112 L HA -0.160 4.180 4.340 0.001 0.000 0.210 112 L C 2.240 179.102 176.870 -0.013 0.000 1.073 112 L CA 1.460 56.289 54.840 -0.018 0.000 0.748 112 L CB -0.464 41.571 42.059 -0.040 0.000 0.891 112 L HN 0.414 nan 8.230 nan 0.000 0.431 113 K N -0.248 120.138 120.400 -0.024 0.000 2.103 113 K HA -0.139 4.182 4.320 0.001 0.000 0.207 113 K C 2.099 178.681 176.600 -0.030 0.000 1.048 113 K CA 1.301 57.572 56.287 -0.026 0.000 0.930 113 K CB -0.472 32.010 32.500 -0.031 0.000 0.716 113 K HN 0.428 nan 8.250 nan 0.000 0.444 114 G N 1.688 110.465 108.800 -0.038 0.000 2.408 114 G HA2 -0.218 3.742 3.960 0.001 0.000 0.217 114 G HA3 -0.218 3.742 3.960 0.001 0.000 0.217 114 G C 1.347 176.219 174.900 -0.047 0.000 1.150 114 G CA 0.154 45.217 45.100 -0.062 0.000 0.776 114 G HN 0.127 nan 8.290 nan 0.000 0.542 115 L N 0.787 122.016 121.223 0.011 0.000 2.046 115 L HA 0.040 4.380 4.340 0.001 0.000 0.208 115 L C 2.544 179.461 176.870 0.079 0.000 1.077 115 L CA 2.216 57.110 54.840 0.090 0.000 0.747 115 L CB -0.748 41.388 42.059 0.128 0.000 0.896 115 L HN 0.276 nan 8.230 nan 0.000 0.432 116 K N -0.236 120.187 120.400 0.039 0.000 2.103 116 K HA -0.211 4.110 4.320 0.001 0.000 0.207 116 K C 1.508 178.106 176.600 -0.002 0.000 1.048 116 K CA 1.800 58.105 56.287 0.031 0.000 0.930 116 K CB 0.029 32.533 32.500 0.006 0.000 0.716 116 K HN 0.350 nan 8.250 nan 0.000 0.444 117 D N 0.318 120.694 120.400 -0.041 0.000 2.312 117 D HA -0.093 4.548 4.640 0.001 0.000 0.211 117 D C 1.360 177.586 176.300 -0.124 0.000 0.964 117 D CA 0.746 54.701 54.000 -0.075 0.000 0.877 117 D CB 0.211 40.953 40.800 -0.096 0.000 0.924 117 D HN 0.111 nan 8.370 nan 0.000 0.515 118 K N 0.454 120.753 120.400 -0.169 0.000 2.400 118 K HA 0.133 4.453 4.320 0.001 0.000 0.194 118 K C 2.096 178.385 176.600 -0.519 0.000 1.033 118 K CA -0.150 55.921 56.287 -0.361 0.000 1.021 118 K CB 0.207 32.451 32.500 -0.426 0.000 0.808 118 K HN 0.273 nan 8.250 nan 0.000 0.505 119 I N 1.685 122.149 120.570 -0.177 0.000 2.185 119 I HA -0.268 3.902 4.170 0.001 0.000 0.246 119 I C -0.827 175.304 176.117 0.024 0.000 1.088 119 I CA 1.570 62.909 61.300 0.065 0.000 1.347 119 I CB -1.403 36.683 38.000 0.144 0.000 1.041 119 I HN 0.045 nan 8.210 nan 0.000 0.415 120 P HA -0.222 nan 4.420 nan 0.000 0.216 120 P C 1.587 178.909 177.300 0.037 0.000 1.150 120 P CA 1.425 64.540 63.100 0.025 0.000 0.837 120 P CB -0.136 31.574 31.700 0.017 0.000 0.786 121 Y N -0.473 119.752 120.300 -0.124 0.000 2.181 121 Y HA -0.207 4.344 4.550 0.001 0.000 0.288 121 Y C 1.923 177.873 175.900 0.083 0.000 1.146 121 Y CA 1.435 59.500 58.100 -0.059 0.000 1.164 121 Y CB -1.102 37.263 38.460 -0.158 0.000 0.982 121 Y HN -0.189 nan 8.280 nan 0.000 0.515 122 F N 1.011 120.953 119.950 -0.013 0.000 2.161 122 F HA -0.266 4.262 4.527 0.001 0.000 0.300 122 F C 2.457 178.188 175.800 -0.115 0.000 1.089 122 F CA 1.722 59.663 58.000 -0.099 0.000 1.282 122 F CB -1.275 37.742 39.000 0.030 0.000 1.010 122 F HN 0.202 nan 8.300 nan 0.000 0.485 123 Q N -0.272 119.602 119.800 0.123 0.000 2.119 123 Q HA -0.208 4.133 4.340 0.001 0.000 0.201 123 Q C 2.213 178.225 176.000 0.019 0.000 0.972 123 Q CA 1.416 57.262 55.803 0.072 0.000 0.847 123 Q CB -0.427 28.354 28.738 0.071 0.000 0.903 123 Q HN 0.535 nan 8.270 nan 0.000 0.433 124 E N 0.870 121.059 120.200 -0.017 0.000 2.085 124 E HA -0.220 4.131 4.350 0.001 0.000 0.194 124 E C 1.910 178.498 176.600 -0.019 0.000 0.994 124 E CA 0.793 57.195 56.400 0.003 0.000 0.801 124 E CB 0.042 29.766 29.700 0.041 0.000 0.743 124 E HN 0.212 nan 8.360 nan 0.000 0.453 125 L N -0.314 120.817 121.223 -0.154 0.000 2.217 125 L HA 0.071 4.412 4.340 0.001 0.000 0.211 125 L C 1.481 178.317 176.870 -0.057 0.000 1.107 125 L CA 2.120 56.890 54.840 -0.116 0.000 0.783 125 L CB 0.084 42.025 42.059 -0.197 0.000 0.919 125 L HN 0.360 nan 8.230 nan 0.000 0.442 126 G N -1.446 107.340 108.800 -0.022 0.000 2.163 126 G HA2 -0.195 3.766 3.960 0.001 0.000 0.213 126 G HA3 -0.195 3.766 3.960 0.001 0.000 0.213 126 G C 0.209 175.118 174.900 0.015 0.000 0.991 126 G CA 0.072 45.170 45.100 -0.002 0.000 0.653 126 G HN 0.290 nan 8.290 nan 0.000 0.518 127 L N 1.145 122.387 121.223 0.031 0.000 2.485 127 L HA 0.445 4.786 4.340 0.001 0.000 0.275 127 L C 1.737 178.646 176.870 0.065 0.000 1.207 127 L CA 1.024 55.888 54.840 0.040 0.000 0.855 127 L CB 0.823 42.893 42.059 0.018 0.000 1.114 127 L HN 0.399 nan 8.230 nan 0.000 0.485 128 T N -1.864 112.745 114.554 0.092 0.000 3.111 128 T HA 0.155 4.506 4.350 0.001 0.000 0.284 128 T C -0.478 174.347 174.700 0.209 0.000 0.983 128 T CA -0.247 61.928 62.100 0.125 0.000 0.900 128 T CB 0.024 68.965 68.868 0.121 0.000 1.132 128 T HN 0.427 nan 8.240 nan 0.000 0.531 129 Y N 0.755 121.057 120.300 0.003 0.000 2.399 129 Y HA 0.669 5.219 4.550 0.001 0.000 0.327 129 Y C -2.500 173.359 175.900 -0.068 0.000 1.111 129 Y CA -2.317 55.785 58.100 0.003 0.000 1.047 129 Y CB 1.670 40.141 38.460 0.018 0.000 1.259 129 Y HN 0.196 nan 8.280 nan 0.000 0.434 130 L N 7.012 128.228 121.223 -0.012 0.000 2.404 130 L HA 0.445 4.786 4.340 0.001 0.000 0.272 130 L C -1.560 175.253 176.870 -0.096 0.000 0.980 130 L CA -0.396 54.385 54.840 -0.097 0.000 0.836 130 L CB 1.285 43.157 42.059 -0.311 0.000 1.238 130 L HN 0.845 nan 8.230 nan 0.000 0.408 131 H N 5.949 124.960 119.070 -0.099 0.000 2.552 131 H HA 0.479 5.035 4.556 0.001 0.000 0.311 131 H C -1.321 173.929 175.328 -0.131 0.000 1.071 131 H CA -0.841 55.151 56.048 -0.093 0.000 1.307 131 H CB 0.964 30.760 29.762 0.056 0.000 1.416 131 H HN 0.597 nan 8.280 nan 0.000 0.464 132 L N 6.119 127.300 121.223 -0.070 0.000 2.282 132 L HA 0.215 4.556 4.340 0.001 0.000 0.288 132 L C 0.205 176.870 176.870 -0.342 0.000 1.033 132 L CA -0.918 53.787 54.840 -0.225 0.000 0.807 132 L CB 1.503 43.503 42.059 -0.098 0.000 1.209 132 L HN 0.629 nan 8.230 nan 0.000 0.423 133 M N 3.085 122.355 119.600 -0.550 0.000 2.219 133 M HA 0.152 4.633 4.480 0.001 0.000 0.307 133 M C -2.007 174.115 176.300 -0.298 0.000 1.116 133 M CA -2.036 52.907 55.300 -0.596 0.000 1.181 133 M CB -0.944 31.044 32.600 -1.020 0.000 1.410 133 M HN 0.192 nan 8.290 nan 0.000 0.454 134 P HA -0.110 nan 4.420 nan 0.000 0.255 134 P C 0.140 177.398 177.300 -0.071 0.000 1.141 134 P CA 0.814 63.788 63.100 -0.210 0.000 0.767 134 P CB -0.027 31.417 31.700 -0.426 0.000 0.726 135 L N 1.950 123.169 121.223 -0.008 0.000 2.609 135 L HA 0.218 4.559 4.340 0.001 0.000 0.230 135 L C 0.853 177.541 176.870 -0.302 0.000 1.087 135 L CA -0.023 54.717 54.840 -0.167 0.000 0.874 135 L CB -0.173 41.706 42.059 -0.300 0.000 1.114 135 L HN 0.235 nan 8.230 nan 0.000 0.488 136 F N 0.622 120.560 119.950 -0.021 0.000 2.370 136 F HA 0.244 4.772 4.527 0.001 0.000 0.319 136 F C 1.054 176.815 175.800 -0.065 0.000 1.129 136 F CA -0.672 57.311 58.000 -0.028 0.000 1.109 136 F CB 0.429 39.420 39.000 -0.015 0.000 1.262 136 F HN -0.226 nan 8.300 nan 0.000 0.534 137 K N 1.626 122.082 120.400 0.093 0.000 2.530 137 K HA 0.119 4.440 4.320 0.001 0.000 0.280 137 K C -0.907 175.672 176.600 -0.035 0.000 1.004 137 K CA 0.146 56.429 56.287 -0.007 0.000 1.071 137 K CB -0.204 32.273 32.500 -0.038 0.000 0.876 137 K HN 0.811 nan 8.250 nan 0.000 0.487 138 C N 2.046 121.318 119.300 -0.048 0.000 3.318 138 C HA 0.611 5.071 4.460 0.001 0.000 0.322 138 C C -2.878 172.063 174.990 -0.081 0.000 1.398 138 C CA -2.325 56.660 59.018 -0.054 0.000 1.339 138 C CB 0.841 28.574 27.740 -0.011 0.000 1.668 138 C HN 0.618 nan 8.230 nan 0.000 0.462 139 P HA 0.246 nan 4.420 nan 0.000 0.266 139 P C -0.352 176.866 177.300 -0.137 0.000 1.195 139 P CA 0.502 63.514 63.100 -0.147 0.000 0.768 139 P CB 0.373 31.939 31.700 -0.223 0.000 0.838 140 E N 1.072 121.200 120.200 -0.121 0.000 2.383 140 E HA 0.315 4.666 4.350 0.001 0.000 0.264 140 E C 1.256 177.781 176.600 -0.124 0.000 1.050 140 E CA 0.406 56.743 56.400 -0.104 0.000 0.896 140 E CB 0.177 29.825 29.700 -0.087 0.000 0.982 140 E HN 0.678 nan 8.360 nan 0.000 0.424 141 G N 3.213 111.946 108.800 -0.111 0.000 4.886 141 G HA2 -0.329 3.632 3.960 0.001 0.000 0.305 141 G HA3 -0.329 3.632 3.960 0.001 0.000 0.305 141 G C -0.276 174.548 174.900 -0.126 0.000 1.483 141 G CA 0.107 45.136 45.100 -0.117 0.000 1.029 141 G HN 0.461 nan 8.290 nan 0.000 0.746 142 K N 1.334 121.619 120.400 -0.192 0.000 2.339 142 K HA 0.601 4.922 4.320 0.001 0.000 0.264 142 K C 0.103 176.396 176.600 -0.513 0.000 0.986 142 K CA 0.249 56.395 56.287 -0.235 0.000 0.866 142 K CB 1.648 34.025 32.500 -0.205 0.000 1.103 142 K HN 0.686 nan 8.250 nan 0.000 0.441 143 S N 1.039 116.639 115.700 -0.167 0.000 3.053 143 S HA 0.025 4.495 4.470 0.001 0.000 0.255 143 S C -0.085 174.728 174.600 0.355 0.000 0.976 143 S CA -0.390 57.779 58.200 -0.052 0.000 1.159 143 S CB -0.030 63.171 63.200 0.002 0.000 1.110 143 S HN 0.735 nan 8.310 nan 0.000 0.633 144 D N 1.878 122.578 120.400 0.501 0.000 2.699 144 D HA -0.126 4.515 4.640 0.001 0.000 0.239 144 D C 0.978 177.552 176.300 0.457 0.000 1.136 144 D CA 1.536 55.835 54.000 0.498 0.000 0.668 144 D CB -1.730 39.380 40.800 0.518 0.000 1.060 144 D HN 1.504 nan 8.370 nan 0.000 0.429 145 G N -0.557 108.537 108.800 0.490 0.000 2.283 145 G HA2 0.082 4.043 3.960 0.001 0.000 0.280 145 G HA3 0.082 4.043 3.960 0.001 0.000 0.280 145 G C 1.482 176.583 174.900 0.334 0.000 1.029 145 G CA 0.981 46.369 45.100 0.480 0.000 0.840 145 G HN 1.806 nan 8.290 nan 0.000 0.505 146 G N -2.149 106.796 108.800 0.241 0.000 2.195 146 G HA2 -0.325 3.636 3.960 0.001 0.000 0.246 146 G HA3 -0.325 3.636 3.960 0.001 0.000 0.246 146 G C 0.796 175.703 174.900 0.012 0.000 0.984 146 G CA 0.821 45.971 45.100 0.082 0.000 0.633 146 G HN 0.997 nan 8.290 nan 0.000 0.525 147 Y N 1.195 121.616 120.300 0.202 0.000 2.553 147 Y HA 0.475 5.026 4.550 0.001 0.000 0.303 147 Y C 1.890 177.949 175.900 0.264 0.000 1.194 147 Y CA 0.899 59.121 58.100 0.204 0.000 1.305 147 Y CB 0.504 39.082 38.460 0.196 0.000 1.045 147 Y HN 0.537 nan 8.280 nan 0.000 0.514 148 A N 0.678 123.711 122.820 0.355 0.000 2.654 148 A HA 0.530 4.850 4.320 0.001 0.000 0.345 148 A C -0.640 177.025 177.584 0.135 0.000 1.368 148 A CA -0.480 51.764 52.037 0.345 0.000 0.895 148 A CB -0.369 18.914 19.000 0.472 0.000 1.143 148 A HN 0.014 nan 8.150 nan 0.000 0.490 149 V N 2.277 122.212 119.914 0.036 0.000 2.488 149 V HA 0.134 4.255 4.120 0.001 0.000 0.277 149 V C 1.087 177.082 176.094 -0.165 0.000 1.046 149 V CA 0.426 62.638 62.300 -0.146 0.000 0.986 149 V CB 1.276 32.847 31.823 -0.420 0.000 0.989 149 V HN 0.857 nan 8.190 nan 0.000 0.475 150 S N 2.428 118.024 115.700 -0.173 0.000 2.517 150 S HA 0.152 4.622 4.470 0.001 0.000 0.214 150 S C 0.568 174.888 174.600 -0.466 0.000 0.991 150 S CA 0.301 58.364 58.200 -0.229 0.000 0.906 150 S CB 0.329 63.412 63.200 -0.196 0.000 0.789 150 S HN 0.766 nan 8.310 nan 0.000 0.513 151 S N -0.394 115.067 115.700 -0.399 0.000 2.590 151 S HA 0.393 4.863 4.470 0.001 0.000 0.286 151 S C -0.755 173.675 174.600 -0.283 0.000 1.147 151 S CA -0.577 57.376 58.200 -0.412 0.000 0.963 151 S CB 0.264 63.311 63.200 -0.256 0.000 1.124 151 S HN 0.247 nan 8.310 nan 0.000 0.458 152 Y N 3.062 123.234 120.300 -0.213 0.000 2.546 152 Y HA 0.226 4.777 4.550 0.001 0.000 0.287 152 Y C 2.332 177.889 175.900 -0.572 0.000 1.158 152 Y CA -0.005 57.855 58.100 -0.401 0.000 1.307 152 Y CB 0.302 38.583 38.460 -0.299 0.000 1.036 152 Y HN 0.450 nan 8.280 nan 0.000 0.532 153 R N -0.652 119.757 120.500 -0.153 0.000 2.221 153 R HA 0.110 4.451 4.340 0.001 0.000 0.195 153 R C -0.575 175.922 176.300 0.329 0.000 0.956 153 R CA 0.382 56.407 56.100 -0.124 0.000 1.064 153 R CB -0.103 29.985 30.300 -0.355 0.000 1.049 153 R HN 0.172 nan 8.270 nan 0.000 0.534 154 D N 2.180 122.739 120.400 0.266 0.000 2.313 154 D HA 0.147 4.788 4.640 0.001 0.000 0.239 154 D C 0.061 176.477 176.300 0.195 0.000 1.142 154 D CA -0.255 53.863 54.000 0.198 0.000 0.847 154 D CB 2.244 43.073 40.800 0.049 0.000 1.082 154 D HN -0.288 nan 8.370 nan 0.000 0.480 155 V N 2.907 122.820 119.914 -0.003 0.000 2.872 155 V HA -0.101 4.019 4.120 0.001 0.000 0.307 155 V C 1.173 177.176 176.094 -0.152 0.000 1.072 155 V CA -0.348 61.778 62.300 -0.289 0.000 1.148 155 V CB 0.477 32.127 31.823 -0.288 0.000 0.954 155 V HN 0.528 nan 8.190 nan 0.000 0.490 156 N N 7.047 125.643 118.700 -0.175 0.000 2.414 156 N HA 0.012 4.753 4.740 0.001 0.000 0.268 156 N C -0.997 174.462 175.510 -0.084 0.000 1.286 156 N CA -1.418 51.575 53.050 -0.095 0.000 0.896 156 N CB 1.148 39.587 38.487 -0.080 0.000 1.093 156 N HN 0.383 nan 8.380 nan 0.000 0.480 157 P HA -0.186 nan 4.420 nan 0.000 0.218 157 P C 0.710 177.981 177.300 -0.049 0.000 1.146 157 P CA 1.274 64.342 63.100 -0.053 0.000 0.813 157 P CB 0.092 31.765 31.700 -0.045 0.000 0.778 158 A N -0.708 122.085 122.820 -0.046 0.000 2.121 158 A HA -0.037 4.284 4.320 0.001 0.000 0.218 158 A C 2.292 179.854 177.584 -0.037 0.000 1.154 158 A CA 0.951 52.965 52.037 -0.038 0.000 0.679 158 A CB -1.174 17.807 19.000 -0.032 0.000 0.795 158 A HN 0.193 nan 8.150 nan 0.000 0.458 159 L N -2.477 118.716 121.223 -0.049 0.000 2.408 159 L HA 0.394 4.735 4.340 0.001 0.000 0.215 159 L C 1.328 178.162 176.870 -0.060 0.000 1.081 159 L CA 0.510 55.319 54.840 -0.052 0.000 0.840 159 L CB -0.088 41.929 42.059 -0.071 0.000 1.002 159 L HN 0.561 nan 8.230 nan 0.000 0.468 160 G N -0.140 108.619 108.800 -0.068 0.000 2.302 160 G HA2 0.043 4.003 3.960 0.001 0.000 0.264 160 G HA3 0.043 4.003 3.960 0.001 0.000 0.264 160 G C -0.750 174.110 174.900 -0.067 0.000 1.335 160 G CA -0.185 44.879 45.100 -0.060 0.000 0.982 160 G HN 0.041 nan 8.290 nan 0.000 0.473 161 T N -1.870 112.652 114.554 -0.053 0.000 2.949 161 T HA 0.582 4.932 4.350 0.001 0.000 0.287 161 T C 1.409 176.087 174.700 -0.037 0.000 1.034 161 T CA 0.238 62.315 62.100 -0.038 0.000 1.018 161 T CB 1.852 70.710 68.868 -0.016 0.000 1.135 161 T HN 1.294 nan 8.240 nan 0.000 0.532 162 I N 1.578 122.152 120.570 0.006 0.000 2.335 162 I HA 0.080 4.251 4.170 0.001 0.000 0.251 162 I C 2.280 178.413 176.117 0.027 0.000 1.129 162 I CA 1.863 63.194 61.300 0.051 0.000 1.402 162 I CB -0.926 37.177 38.000 0.171 0.000 1.069 162 I HN 0.927 nan 8.210 nan 0.000 0.424 163 G N -0.399 108.411 108.800 0.017 0.000 2.408 163 G HA2 -0.226 3.735 3.960 0.001 0.000 0.217 163 G HA3 -0.226 3.735 3.960 0.001 0.000 0.217 163 G C 1.451 176.342 174.900 -0.014 0.000 1.150 163 G CA 0.839 45.942 45.100 0.004 0.000 0.776 163 G HN 0.369 nan 8.290 nan 0.000 0.542 164 D N 0.143 120.528 120.400 -0.024 0.000 2.144 164 D HA -0.090 4.551 4.640 0.001 0.000 0.199 164 D C 2.416 178.691 176.300 -0.042 0.000 0.984 164 D CA 0.621 54.601 54.000 -0.033 0.000 0.834 164 D CB -0.119 40.656 40.800 -0.041 0.000 0.955 164 D HN 0.235 nan 8.370 nan 0.000 0.465 165 L N 1.445 122.637 121.223 -0.052 0.000 2.046 165 L HA -0.115 4.225 4.340 0.001 0.000 0.208 165 L C 2.243 179.082 176.870 -0.052 0.000 1.077 165 L CA 1.525 56.329 54.840 -0.060 0.000 0.747 165 L CB -0.275 41.741 42.059 -0.072 0.000 0.896 165 L HN -0.148 nan 8.230 nan 0.000 0.432 166 R N -0.406 120.070 120.500 -0.041 0.000 2.081 166 R HA -0.170 4.171 4.340 0.001 0.000 0.235 166 R C 2.157 178.424 176.300 -0.054 0.000 1.131 166 R CA 1.848 57.918 56.100 -0.049 0.000 0.960 166 R CB -0.361 29.920 30.300 -0.033 0.000 0.856 166 R HN 0.547 nan 8.270 nan 0.000 0.436 167 E N 0.026 120.202 120.200 -0.041 0.000 2.077 167 E HA -0.148 4.202 4.350 0.001 0.000 0.193 167 E C 2.084 178.657 176.600 -0.045 0.000 0.989 167 E CA 1.240 57.619 56.400 -0.036 0.000 0.800 167 E CB 0.013 29.698 29.700 -0.025 0.000 0.746 167 E HN 0.082 nan 8.360 nan 0.000 0.452 168 V N 1.614 121.500 119.914 -0.048 0.000 2.255 168 V HA -0.288 3.833 4.120 0.001 0.000 0.247 168 V C 2.273 178.312 176.094 -0.092 0.000 1.051 168 V CA 1.707 63.980 62.300 -0.046 0.000 1.018 168 V CB -0.423 31.378 31.823 -0.037 0.000 0.641 168 V HN 0.281 nan 8.190 nan 0.000 0.445 169 I N 0.383 120.870 120.570 -0.139 0.000 2.208 169 I HA -0.270 3.900 4.170 0.001 0.000 0.245 169 I C 2.654 178.548 176.117 -0.372 0.000 1.097 169 I CA 1.571 62.705 61.300 -0.277 0.000 1.363 169 I CB -0.635 37.213 38.000 -0.252 0.000 1.051 169 I HN 0.311 nan 8.210 nan 0.000 0.413 170 A N 0.736 123.445 122.820 -0.185 0.000 1.902 170 A HA -0.130 4.190 4.320 0.001 0.000 0.217 170 A C 2.536 180.094 177.584 -0.043 0.000 1.181 170 A CA 1.806 53.791 52.037 -0.087 0.000 0.623 170 A CB -0.760 18.221 19.000 -0.031 0.000 0.818 170 A HN 0.435 nan 8.150 nan 0.000 0.443 171 A N -0.457 122.336 122.820 -0.044 0.000 1.969 171 A HA 0.052 4.373 4.320 0.001 0.000 0.218 171 A C 2.140 179.731 177.584 0.011 0.000 1.169 171 A CA 1.286 53.321 52.037 -0.004 0.000 0.635 171 A CB -0.497 18.505 19.000 0.003 0.000 0.810 171 A HN 0.467 nan 8.150 nan 0.000 0.445 172 L N -1.584 119.617 121.223 -0.037 0.000 2.056 172 L HA -0.197 4.144 4.340 0.001 0.000 0.207 172 L C 2.537 179.443 176.870 0.060 0.000 1.078 172 L CA 1.631 56.466 54.840 -0.008 0.000 0.749 172 L CB -0.759 41.246 42.059 -0.089 0.000 0.901 172 L HN 0.541 nan 8.230 nan 0.000 0.433 173 H N -1.049 118.016 119.070 -0.009 0.000 2.353 173 H HA -0.214 4.342 4.556 0.001 0.000 0.300 173 H C 2.200 177.520 175.328 -0.013 0.000 1.090 173 H CA 1.050 57.084 56.048 -0.024 0.000 1.327 173 H CB 0.266 30.004 29.762 -0.040 0.000 1.383 173 H HN 0.208 nan 8.280 nan 0.000 0.508 174 E N 1.186 121.460 120.200 0.124 0.000 2.160 174 E HA -0.109 4.242 4.350 0.001 0.000 0.195 174 E C 1.847 178.483 176.600 0.059 0.000 0.991 174 E CA 1.023 57.464 56.400 0.068 0.000 0.810 174 E CB -0.083 29.645 29.700 0.047 0.000 0.742 174 E HN 0.452 nan 8.360 nan 0.000 0.466 175 A N -0.733 122.130 122.820 0.071 0.000 2.251 175 A HA 0.409 4.730 4.320 0.001 0.000 0.209 175 A C 1.497 179.125 177.584 0.072 0.000 1.187 175 A CA 0.654 52.733 52.037 0.071 0.000 0.823 175 A CB -0.596 18.457 19.000 0.089 0.000 0.846 175 A HN 0.416 nan 8.150 nan 0.000 0.486 176 G N -0.480 108.363 108.800 0.072 0.000 2.198 176 G HA2 -0.209 3.752 3.960 0.001 0.000 0.257 176 G HA3 -0.209 3.752 3.960 0.001 0.000 0.257 176 G C -0.133 174.815 174.900 0.080 0.000 1.042 176 G CA 0.426 45.561 45.100 0.060 0.000 0.791 176 G HN 0.521 nan 8.290 nan 0.000 0.502 177 I N 0.826 121.459 120.570 0.106 0.000 2.436 177 I HA 0.336 4.506 4.170 0.001 0.000 0.289 177 I C 0.474 176.669 176.117 0.129 0.000 1.010 177 I CA -0.766 60.595 61.300 0.101 0.000 1.098 177 I CB 1.993 40.035 38.000 0.070 0.000 1.266 177 I HN 0.075 nan 8.210 nan 0.000 0.434 178 S N 4.080 119.846 115.700 0.110 0.000 2.580 178 S HA 0.527 4.998 4.470 0.001 0.000 0.274 178 S C 0.180 174.756 174.600 -0.040 0.000 1.329 178 S CA -0.624 57.630 58.200 0.090 0.000 1.036 178 S CB 1.294 64.545 63.200 0.084 0.000 0.919 178 S HN 0.684 nan 8.310 nan 0.000 0.515 179 A N 2.662 125.458 122.820 -0.039 0.000 2.290 179 A HA 0.649 4.970 4.320 0.001 0.000 0.310 179 A C -0.661 176.836 177.584 -0.145 0.000 1.202 179 A CA -0.584 51.380 52.037 -0.122 0.000 0.837 179 A CB 0.390 19.303 19.000 -0.144 0.000 1.139 179 A HN 0.610 nan 8.150 nan 0.000 0.509 180 V N 3.834 123.635 119.914 -0.189 0.000 2.483 180 V HA 0.604 4.725 4.120 0.001 0.000 0.297 180 V C -0.011 176.087 176.094 0.006 0.000 1.027 180 V CA -0.405 61.778 62.300 -0.195 0.000 0.855 180 V CB 1.180 32.714 31.823 -0.481 0.000 0.995 180 V HN 1.110 nan 8.190 nan 0.000 0.424 181 V N 0.910 120.843 119.914 0.032 0.000 3.141 181 V HA 0.746 4.866 4.120 0.001 0.000 0.312 181 V C -0.763 175.406 176.094 0.125 0.000 1.157 181 V CA -1.025 61.364 62.300 0.148 0.000 1.041 181 V CB 2.316 34.237 31.823 0.164 0.000 1.071 181 V HN 0.718 nan 8.190 nan 0.000 0.441 182 D N 1.469 121.992 120.400 0.204 0.000 2.302 182 D HA 0.445 5.085 4.640 0.001 0.000 0.248 182 D C -1.038 175.398 176.300 0.228 0.000 1.094 182 D CA 0.298 54.422 54.000 0.207 0.000 0.897 182 D CB 1.205 42.139 40.800 0.223 0.000 1.200 182 D HN 0.613 nan 8.370 nan 0.000 0.429 183 F N 3.122 123.066 119.950 -0.010 0.000 2.363 183 F HA 0.378 4.906 4.527 0.001 0.000 0.366 183 F C -0.677 175.139 175.800 0.027 0.000 1.083 183 F CA -1.035 56.899 58.000 -0.109 0.000 1.176 183 F CB 0.137 38.898 39.000 -0.398 0.000 1.432 183 F HN 0.301 nan 8.300 nan 0.000 0.482 184 I N 7.333 127.876 120.570 -0.044 0.000 2.268 184 I HA -0.028 4.143 4.170 0.001 0.000 0.298 184 I C 0.508 176.567 176.117 -0.097 0.000 1.185 184 I CA -0.030 61.284 61.300 0.024 0.000 1.548 184 I CB -0.452 37.615 38.000 0.112 0.000 1.492 184 I HN 0.487 nan 8.210 nan 0.000 0.711 185 F N 2.483 122.097 119.950 -0.560 0.000 2.727 185 F HA 0.195 4.723 4.527 0.001 0.000 0.302 185 F C 1.500 177.313 175.800 0.022 0.000 1.097 185 F CA -0.244 57.472 58.000 -0.473 0.000 1.330 185 F CB -0.937 37.562 39.000 -0.836 0.000 1.084 185 F HN 0.339 nan 8.300 nan 0.000 0.578 186 N N 0.309 118.875 118.700 -0.224 0.000 2.415 186 N HA -0.078 4.663 4.740 0.001 0.000 0.176 186 N C -0.302 175.351 175.510 0.238 0.000 1.042 186 N CA 0.691 53.725 53.050 -0.026 0.000 0.902 186 N CB 0.131 38.718 38.487 0.166 0.000 0.986 186 N HN 0.577 nan 8.380 nan 0.000 0.447 187 H N -2.327 116.900 119.070 0.261 0.000 2.967 187 H HA 0.279 4.836 4.556 0.001 0.000 0.318 187 H C -1.039 174.479 175.328 0.318 0.000 1.375 187 H CA -0.672 55.581 56.048 0.342 0.000 1.132 187 H CB 0.971 30.964 29.762 0.386 0.000 1.848 187 H HN -0.016 nan 8.280 nan 0.000 0.524 188 T N -1.683 113.139 114.554 0.447 0.000 2.888 188 T HA 0.514 4.865 4.350 0.001 0.000 0.288 188 T C 0.225 175.055 174.700 0.215 0.000 1.063 188 T CA -0.380 61.843 62.100 0.205 0.000 1.010 188 T CB 1.484 70.374 68.868 0.037 0.000 1.214 188 T HN 0.851 nan 8.240 nan 0.000 0.533 189 S N 0.887 116.633 115.700 0.078 0.000 2.614 189 S HA 0.191 4.662 4.470 0.001 0.000 0.265 189 S C 1.009 175.447 174.600 -0.270 0.000 1.303 189 S CA -0.356 57.862 58.200 0.030 0.000 1.000 189 S CB 0.137 63.341 63.200 0.007 0.000 0.935 189 S HN 0.893 nan 8.310 nan 0.000 0.551 190 N N 0.168 118.593 118.700 -0.459 0.000 2.571 190 N HA -0.043 4.698 4.740 0.001 0.000 0.189 190 N C 0.492 175.630 175.510 -0.619 0.000 1.154 190 N CA 0.457 52.874 53.050 -1.054 0.000 0.907 190 N CB -0.450 37.525 38.487 -0.853 0.000 0.977 190 N HN 0.836 nan 8.380 nan 0.000 0.449 191 E N -1.113 118.884 120.200 -0.339 0.000 2.498 191 E HA 0.020 4.371 4.350 0.001 0.000 0.203 191 E C -0.518 175.954 176.600 -0.214 0.000 1.013 191 E CA -0.293 55.962 56.400 -0.243 0.000 0.927 191 E CB 0.157 29.749 29.700 -0.180 0.000 1.012 191 E HN 0.531 nan 8.360 nan 0.000 0.482 192 H N 1.136 120.023 119.070 -0.306 0.000 2.815 192 H HA -0.009 4.548 4.556 0.001 0.000 0.350 192 H C 1.420 176.592 175.328 -0.259 0.000 1.080 192 H CA 0.413 56.283 56.048 -0.298 0.000 1.433 192 H CB 0.903 30.481 29.762 -0.306 0.000 1.432 192 H HN 0.004 nan 8.280 nan 0.000 0.592 193 E N 3.591 123.617 120.200 -0.291 0.000 2.114 193 E HA -0.249 4.102 4.350 0.001 0.000 0.199 193 E C 1.038 177.619 176.600 -0.031 0.000 1.008 193 E CA 1.715 58.027 56.400 -0.147 0.000 0.810 193 E CB -0.032 29.561 29.700 -0.177 0.000 0.739 193 E HN 0.755 nan 8.360 nan 0.000 0.456 194 W N 0.275 121.592 121.300 0.029 0.000 2.338 194 W HA -0.119 4.542 4.660 0.001 0.000 0.304 194 W C 2.515 179.027 176.519 -0.011 0.000 1.212 194 W CA 0.981 58.140 57.345 -0.310 0.000 1.264 194 W CB -1.401 28.170 29.460 0.185 0.000 1.142 194 W HN 0.237 nan 8.180 nan 0.000 0.512 195 A N 0.270 123.245 122.820 0.258 0.000 1.877 195 A HA -0.244 4.077 4.320 0.001 0.000 0.216 195 A C 2.018 179.556 177.584 -0.078 0.000 1.186 195 A CA 1.950 53.892 52.037 -0.159 0.000 0.620 195 A CB -0.967 17.625 19.000 -0.679 0.000 0.822 195 A HN 0.398 nan 8.150 nan 0.000 0.443 196 Q N -0.622 119.101 119.800 -0.128 0.000 2.061 196 Q HA -0.192 4.149 4.340 0.001 0.000 0.204 196 Q C 2.368 178.354 176.000 -0.024 0.000 0.984 196 Q CA 1.779 57.533 55.803 -0.081 0.000 0.846 196 Q CB -0.220 28.452 28.738 -0.111 0.000 0.902 196 Q HN 0.619 nan 8.270 nan 0.000 0.421 197 R N -0.187 120.258 120.500 -0.092 0.000 2.092 197 R HA -0.092 4.248 4.340 0.001 0.000 0.231 197 R C 2.579 178.923 176.300 0.074 0.000 1.119 197 R CA 1.162 57.218 56.100 -0.073 0.000 0.970 197 R CB -0.641 29.481 30.300 -0.297 0.000 0.864 197 R HN 0.335 nan 8.270 nan 0.000 0.440 198 C N 0.702 120.095 119.300 0.154 0.000 2.432 198 C HA -0.018 4.443 4.460 0.001 0.000 0.277 198 C C 2.914 178.043 174.990 0.232 0.000 1.249 198 C CA 1.138 60.337 59.018 0.302 0.000 1.725 198 C CB -0.895 27.170 27.740 0.541 0.000 2.028 198 C HN 0.570 nan 8.230 nan 0.000 0.477 199 A N 0.035 122.996 122.820 0.235 0.000 2.015 199 A HA 0.193 4.514 4.320 0.001 0.000 0.219 199 A C 2.318 179.978 177.584 0.127 0.000 1.163 199 A CA 1.868 54.025 52.037 0.201 0.000 0.646 199 A CB -0.905 18.278 19.000 0.305 0.000 0.806 199 A HN 0.908 nan 8.150 nan 0.000 0.448 200 A N -1.869 121.013 122.820 0.103 0.000 2.206 200 A HA 0.389 4.710 4.320 0.001 0.000 0.211 200 A C 1.812 179.438 177.584 0.070 0.000 1.158 200 A CA 1.298 53.376 52.037 0.070 0.000 0.761 200 A CB -0.803 18.224 19.000 0.045 0.000 0.801 200 A HN 1.853 nan 8.150 nan 0.000 0.473 201 G N -0.562 108.293 108.800 0.091 0.000 2.141 201 G HA2 -0.221 3.740 3.960 0.001 0.000 0.231 201 G HA3 -0.221 3.740 3.960 0.001 0.000 0.231 201 G C -0.104 174.845 174.900 0.082 0.000 0.984 201 G CA 0.191 45.340 45.100 0.083 0.000 0.660 201 G HN 0.565 nan 8.290 nan 0.000 0.525 202 D N 1.287 121.748 120.400 0.101 0.000 2.412 202 D HA 0.175 4.815 4.640 0.001 0.000 0.257 202 D C 0.163 176.519 176.300 0.093 0.000 1.217 202 D CA -0.807 53.257 54.000 0.105 0.000 0.897 202 D CB 1.274 42.173 40.800 0.165 0.000 1.132 202 D HN 0.235 nan 8.370 nan 0.000 0.493 203 P HA -0.162 nan 4.420 nan 0.000 0.221 203 P C 1.562 178.821 177.300 -0.069 0.000 1.145 203 P CA 0.144 63.245 63.100 0.002 0.000 0.795 203 P CB 0.406 32.099 31.700 -0.011 0.000 0.775 204 L N -1.629 119.530 121.223 -0.108 0.000 2.291 204 L HA 0.053 4.394 4.340 0.001 0.000 0.214 204 L C 1.013 177.467 176.870 -0.693 0.000 1.120 204 L CA 1.486 56.113 54.840 -0.355 0.000 0.799 204 L CB -0.977 40.889 42.059 -0.322 0.000 0.925 204 L HN -0.124 nan 8.230 nan 0.000 0.446 205 F N -0.384 119.419 119.950 -0.245 0.000 2.735 205 F HA 0.216 4.744 4.527 0.001 0.000 0.304 205 F C 0.540 176.336 175.800 -0.007 0.000 1.119 205 F CA -1.142 56.624 58.000 -0.390 0.000 1.280 205 F CB 0.111 38.871 39.000 -0.401 0.000 0.994 205 F HN 0.007 nan 8.300 nan 0.000 0.520 206 D N 0.295 120.771 120.400 0.126 0.000 2.443 206 D HA -0.010 4.631 4.640 0.001 0.000 0.239 206 D C 0.819 177.260 176.300 0.235 0.000 1.136 206 D CA 0.863 54.962 54.000 0.165 0.000 0.879 206 D CB 0.386 41.241 40.800 0.092 0.000 1.195 206 D HN 0.103 nan 8.370 nan 0.000 0.443 207 N N 1.998 120.806 118.700 0.181 0.000 2.735 207 N HA -0.246 4.495 4.740 0.001 0.000 0.248 207 N C -0.278 175.271 175.510 0.066 0.000 1.083 207 N CA 0.352 53.453 53.050 0.084 0.000 0.703 207 N CB -1.261 37.246 38.487 0.033 0.000 1.005 207 N HN 0.381 nan 8.380 nan 0.000 0.550 208 F N -1.089 118.850 119.950 -0.018 0.000 2.743 208 F HA 0.271 4.798 4.527 0.001 0.000 0.297 208 F C 0.432 175.918 175.800 -0.524 0.000 1.131 208 F CA 0.565 58.446 58.000 -0.198 0.000 1.426 208 F CB 0.182 39.187 39.000 0.009 0.000 1.116 208 F HN 0.116 nan 8.300 nan 0.000 0.583 209 Y N -3.169 117.171 120.300 0.067 0.000 0.000 209 Y HA 0.403 4.953 4.550 0.001 0.000 0.000 209 Y C -1.262 174.499 175.900 -0.232 0.000 0.000 209 Y CA -1.878 56.219 58.100 -0.006 0.000 0.000 209 Y CB 0.581 39.204 38.460 0.272 0.000 0.000 209 Y HN -0.336 nan 8.280 nan 0.000 0.000 210 Y N 1.862 122.290 120.300 0.213 0.000 2.491 210 Y HA 0.576 5.127 4.550 0.001 0.000 0.334 210 Y C -0.552 175.248 175.900 -0.166 0.000 0.969 210 Y CA -0.514 57.600 58.100 0.024 0.000 1.241 210 Y CB 0.479 39.145 38.460 0.342 0.000 1.105 210 Y HN 0.156 nan 8.280 nan 0.000 0.503 211 I N 4.400 124.784 120.570 -0.309 0.000 2.433 211 I HA 0.433 4.604 4.170 0.001 0.000 0.292 211 I C -0.984 174.826 176.117 -0.512 0.000 1.001 211 I CA -0.736 60.398 61.300 -0.277 0.000 1.119 211 I CB 1.401 39.331 38.000 -0.117 0.000 1.289 211 I HN 0.313 nan 8.210 nan 0.000 0.438 212 F N 6.178 126.233 119.950 0.176 0.000 2.522 212 F HA 0.458 4.986 4.527 0.001 0.000 0.324 212 F C -1.528 174.359 175.800 0.145 0.000 1.077 212 F CA -1.890 56.196 58.000 0.142 0.000 0.944 212 F CB 1.046 40.094 39.000 0.080 0.000 1.175 212 F HN 0.290 nan 8.300 nan 0.000 0.468 213 P HA -0.060 nan 4.420 nan 0.000 0.219 213 P C -0.592 176.856 177.300 0.245 0.000 1.150 213 P CA 1.496 64.717 63.100 0.202 0.000 0.814 213 P CB 0.288 32.072 31.700 0.141 0.000 0.787 214 D N -3.185 117.356 120.400 0.235 0.000 3.103 214 D HA 0.202 4.843 4.640 0.001 0.000 0.337 214 D C 0.792 176.980 176.300 -0.186 0.000 1.356 214 D CA -0.708 53.389 54.000 0.163 0.000 0.951 214 D CB -0.006 40.830 40.800 0.061 0.000 1.438 214 D HN -0.406 nan 8.370 nan 0.000 0.562 215 R N -0.329 119.938 120.500 -0.388 0.000 2.310 215 R HA 0.207 4.548 4.340 0.001 0.000 0.202 215 R C 1.825 177.821 176.300 -0.508 0.000 0.933 215 R CA 0.135 55.827 56.100 -0.679 0.000 1.054 215 R CB -0.577 29.338 30.300 -0.642 0.000 0.985 215 R HN 0.497 nan 8.270 nan 0.000 0.489 216 R N 0.651 120.950 120.500 -0.335 0.000 2.122 216 R HA -0.119 4.221 4.340 0.001 0.000 0.236 216 R C 1.976 178.039 176.300 -0.395 0.000 1.129 216 R CA 1.990 57.917 56.100 -0.288 0.000 0.925 216 R CB -0.097 30.098 30.300 -0.175 0.000 0.850 216 R HN 0.094 nan 8.270 nan 0.000 0.431 217 M N -0.746 118.566 119.600 -0.479 0.000 2.236 217 M HA -0.018 4.462 4.480 0.001 0.000 0.266 217 M C -0.947 174.836 176.300 -0.861 0.000 1.070 217 M CA 1.100 56.007 55.300 -0.654 0.000 1.137 217 M CB -0.515 31.703 32.600 -0.636 0.000 1.378 217 M HN 0.116 nan 8.290 nan 0.000 0.426 218 P HA -0.163 nan 4.420 nan 0.000 0.216 218 P C 0.571 177.358 177.300 -0.854 0.000 1.153 218 P CA 1.388 63.494 63.100 -1.656 0.000 0.858 218 P CB -0.104 30.575 31.700 -1.701 0.000 0.789 219 D N -1.123 118.893 120.400 -0.639 0.000 2.144 219 D HA -0.159 4.482 4.640 0.001 0.000 0.199 219 D C 2.078 178.193 176.300 -0.308 0.000 0.984 219 D CA 1.112 54.871 54.000 -0.403 0.000 0.834 219 D CB -0.517 40.074 40.800 -0.348 0.000 0.955 219 D HN 0.342 nan 8.370 nan 0.000 0.465 220 Q N -0.811 118.768 119.800 -0.367 0.000 2.083 220 Q HA -0.136 4.204 4.340 0.001 0.000 0.198 220 Q C 1.987 177.835 176.000 -0.254 0.000 0.969 220 Q CA 0.856 56.468 55.803 -0.319 0.000 0.838 220 Q CB -0.216 28.278 28.738 -0.407 0.000 0.900 220 Q HN 0.377 nan 8.270 nan 0.000 0.436 221 Y N 1.684 121.824 120.300 -0.267 0.000 2.145 221 Y HA -0.197 4.354 4.550 0.001 0.000 0.286 221 Y C 1.929 177.777 175.900 -0.087 0.000 1.145 221 Y CA 1.265 59.275 58.100 -0.149 0.000 1.148 221 Y CB -0.293 38.047 38.460 -0.201 0.000 0.981 221 Y HN 0.103 nan 8.280 nan 0.000 0.507 222 D N -0.372 120.065 120.400 0.061 0.000 2.354 222 D HA -0.136 4.505 4.640 0.001 0.000 0.216 222 D C 2.019 178.311 176.300 -0.013 0.000 0.970 222 D CA 0.784 54.796 54.000 0.020 0.000 0.905 222 D CB -0.227 40.555 40.800 -0.030 0.000 0.903 222 D HN 0.260 nan 8.370 nan 0.000 0.508 223 R N -0.696 119.785 120.500 -0.030 0.000 2.189 223 R HA -0.040 4.301 4.340 0.001 0.000 0.223 223 R C 1.576 177.873 176.300 -0.005 0.000 1.092 223 R CA 1.511 57.591 56.100 -0.034 0.000 0.989 223 R CB 0.143 30.409 30.300 -0.056 0.000 0.876 223 R HN 0.227 nan 8.270 nan 0.000 0.457 224 T N -3.629 110.941 114.554 0.027 0.000 3.170 224 T HA 0.323 4.674 4.350 0.001 0.000 0.288 224 T C 0.188 174.924 174.700 0.060 0.000 0.992 224 T CA -0.424 61.702 62.100 0.043 0.000 0.909 224 T CB 0.238 69.142 68.868 0.059 0.000 1.133 224 T HN -0.108 nan 8.240 nan 0.000 0.530 225 L N 2.267 123.522 121.223 0.054 0.000 2.292 225 L HA 0.559 4.900 4.340 0.001 0.000 0.284 225 L C 0.566 177.445 176.870 0.014 0.000 1.065 225 L CA -1.114 53.756 54.840 0.050 0.000 0.806 225 L CB 1.324 43.396 42.059 0.021 0.000 1.175 225 L HN 0.175 nan 8.230 nan 0.000 0.431 226 R N 2.492 123.008 120.500 0.026 0.000 2.539 226 R HA 0.193 4.534 4.340 0.001 0.000 0.275 226 R C -0.568 175.697 176.300 -0.059 0.000 1.077 226 R CA -0.390 55.709 56.100 -0.000 0.000 1.097 226 R CB 0.736 31.058 30.300 0.036 0.000 1.018 226 R HN 0.564 nan 8.270 nan 0.000 0.483 227 E N 4.724 124.868 120.200 -0.094 0.000 2.146 227 E HA 0.104 4.455 4.350 0.001 0.000 0.282 227 E C 0.511 176.981 176.600 -0.216 0.000 0.989 227 E CA -0.616 55.684 56.400 -0.167 0.000 0.799 227 E CB 1.271 30.881 29.700 -0.149 0.000 1.088 227 E HN 0.527 nan 8.360 nan 0.000 0.397 228 I N 1.691 122.047 120.570 -0.357 0.000 2.339 228 I HA -0.064 4.107 4.170 0.001 0.000 0.245 228 I C 0.762 176.571 176.117 -0.515 0.000 1.096 228 I CA 1.067 62.066 61.300 -0.501 0.000 1.408 228 I CB -0.225 37.297 38.000 -0.797 0.000 1.092 228 I HN 0.432 nan 8.210 nan 0.000 0.423 229 F N 2.798 122.626 119.950 -0.204 0.000 2.449 229 F HA 0.376 4.904 4.527 0.001 0.000 0.329 229 F C -1.443 174.172 175.800 -0.307 0.000 1.245 229 F CA -3.150 54.707 58.000 -0.238 0.000 1.193 229 F CB -0.257 38.652 39.000 -0.152 0.000 1.425 229 F HN -0.044 nan 8.300 nan 0.000 0.544 230 P HA -0.178 nan 4.420 nan 0.000 0.220 230 P C 0.766 178.006 177.300 -0.100 0.000 1.144 230 P CA 1.326 64.336 63.100 -0.151 0.000 0.800 230 P CB 0.524 32.141 31.700 -0.139 0.000 0.772 231 D N -0.640 119.715 120.400 -0.075 0.000 2.178 231 D HA -0.126 4.514 4.640 0.001 0.000 0.202 231 D C 2.245 178.547 176.300 0.003 0.000 0.974 231 D CA 1.033 55.013 54.000 -0.032 0.000 0.841 231 D CB -0.248 40.525 40.800 -0.045 0.000 0.953 231 D HN 0.153 nan 8.370 nan 0.000 0.478 232 Q N -0.327 119.466 119.800 -0.010 0.000 2.123 232 Q HA 0.029 4.370 4.340 0.001 0.000 0.196 232 Q C 0.376 176.448 176.000 0.121 0.000 0.958 232 Q CA 1.127 56.961 55.803 0.050 0.000 0.841 232 Q CB 0.074 28.854 28.738 0.070 0.000 0.915 232 Q HN 0.599 nan 8.270 nan 0.000 0.455 233 H N -3.377 115.729 119.070 0.061 0.000 3.005 233 H HA 0.452 5.008 4.556 0.001 0.000 0.311 233 H C -2.976 172.372 175.328 0.032 0.000 1.366 233 H CA -1.836 54.248 56.048 0.060 0.000 1.210 233 H CB 0.463 30.273 29.762 0.079 0.000 1.894 233 H HN -0.237 nan 8.280 nan 0.000 0.520 234 P HA 0.374 nan 4.420 nan 0.000 0.279 234 P C 0.756 178.176 177.300 0.201 0.000 1.252 234 P CA 1.026 64.191 63.100 0.108 0.000 0.811 234 P CB 1.126 32.873 31.700 0.078 0.000 1.035 235 G N 1.335 110.174 108.800 0.065 0.000 2.578 235 G HA2 -0.177 3.784 3.960 0.001 0.000 0.275 235 G HA3 -0.177 3.784 3.960 0.001 0.000 0.275 235 G C 0.592 175.515 174.900 0.039 0.000 1.271 235 G CA 0.060 45.188 45.100 0.046 0.000 0.941 235 G HN 0.817 nan 8.290 nan 0.000 0.564 236 G N -1.340 107.355 108.800 -0.175 0.000 3.774 236 G HA2 0.582 4.543 3.960 0.001 0.000 0.287 236 G HA3 0.582 4.543 3.960 0.001 0.000 0.287 236 G C -0.223 174.025 174.900 -1.086 0.000 1.030 236 G CA 0.002 44.761 45.100 -0.568 0.000 0.824 236 G HN 0.519 nan 8.290 nan 0.000 0.518 237 F N -0.043 119.741 119.950 -0.277 0.000 2.588 237 F HA 0.717 5.245 4.527 0.001 0.000 0.314 237 F C 0.165 175.900 175.800 -0.108 0.000 1.069 237 F CA -1.003 56.878 58.000 -0.200 0.000 0.931 237 F CB 2.337 41.251 39.000 -0.145 0.000 1.260 237 F HN -0.175 nan 8.300 nan 0.000 0.465 238 S N 0.455 116.237 115.700 0.137 0.000 2.542 238 S HA 0.419 4.890 4.470 0.001 0.000 0.293 238 S C -1.132 173.405 174.600 -0.104 0.000 1.089 238 S CA -0.808 57.396 58.200 0.006 0.000 0.961 238 S CB 2.011 65.134 63.200 -0.129 0.000 1.062 238 S HN 0.632 nan 8.310 nan 0.000 0.483 239 Q N 2.497 121.953 119.800 -0.572 0.000 2.243 239 Q HA 0.503 4.844 4.340 0.001 0.000 0.252 239 Q C -0.977 174.712 176.000 -0.518 0.000 0.909 239 Q CA -0.499 54.633 55.803 -1.119 0.000 0.922 239 Q CB 0.538 28.231 28.738 -1.742 0.000 1.215 239 Q HN 0.597 nan 8.270 nan 0.000 0.427 240 L N 2.921 123.883 121.223 -0.434 0.000 2.466 240 L HA 0.118 4.459 4.340 0.001 0.000 0.257 240 L C 1.390 178.162 176.870 -0.163 0.000 1.189 240 L CA -0.047 54.680 54.840 -0.188 0.000 0.813 240 L CB 0.533 42.517 42.059 -0.126 0.000 1.118 240 L HN 0.884 nan 8.230 nan 0.000 0.471 241 E N 0.589 120.753 120.200 -0.061 0.000 2.153 241 E HA -0.240 4.111 4.350 0.001 0.000 0.194 241 E C 1.045 177.615 176.600 -0.051 0.000 0.988 241 E CA 1.581 57.952 56.400 -0.047 0.000 0.811 241 E CB 0.195 29.892 29.700 -0.006 0.000 0.746 241 E HN 0.801 nan 8.360 nan 0.000 0.466 242 D N -1.806 118.569 120.400 -0.042 0.000 2.363 242 D HA 0.028 4.669 4.640 0.001 0.000 0.226 242 D C 1.236 177.508 176.300 -0.048 0.000 1.020 242 D CA 0.846 54.828 54.000 -0.028 0.000 0.892 242 D CB 0.349 41.147 40.800 -0.004 0.000 0.900 242 D HN 0.283 nan 8.370 nan 0.000 0.531 243 G N -0.272 108.460 108.800 -0.113 0.000 2.254 243 G HA2 -0.300 3.661 3.960 0.001 0.000 0.225 243 G HA3 -0.300 3.661 3.960 0.001 0.000 0.225 243 G C 0.553 175.344 174.900 -0.182 0.000 1.003 243 G CA -0.102 44.918 45.100 -0.133 0.000 0.622 243 G HN 0.447 nan 8.290 nan 0.000 0.507 244 R N -0.857 119.569 120.500 -0.122 0.000 2.801 244 R HA 0.459 4.800 4.340 0.001 0.000 0.273 244 R C -0.486 175.690 176.300 -0.206 0.000 1.080 244 R CA 0.189 56.273 56.100 -0.025 0.000 1.197 244 R CB 0.307 30.615 30.300 0.014 0.000 1.109 244 R HN 0.263 nan 8.270 nan 0.000 0.535 245 W N 0.020 121.345 121.300 0.040 0.000 2.702 245 W HA 0.498 5.159 4.660 0.001 0.000 0.331 245 W C -0.795 175.792 176.519 0.113 0.000 1.049 245 W CA -0.530 56.850 57.345 0.058 0.000 1.230 245 W CB 1.549 31.041 29.460 0.054 0.000 1.408 245 W HN 0.148 nan 8.180 nan 0.000 0.492 246 V N 3.923 123.954 119.914 0.194 0.000 2.769 246 V HA 0.496 4.617 4.120 0.001 0.000 0.312 246 V C -0.975 175.276 176.094 0.261 0.000 1.061 246 V CA -0.994 61.330 62.300 0.039 0.000 0.931 246 V CB 1.644 33.016 31.823 -0.752 0.000 1.010 246 V HN 0.620 nan 8.190 nan 0.000 0.433 247 W N 5.316 126.735 121.300 0.199 0.000 2.368 247 W HA 0.410 5.071 4.660 0.001 0.000 0.316 247 W C -0.040 176.384 176.519 -0.158 0.000 1.375 247 W CA 0.417 57.710 57.345 -0.087 0.000 1.261 247 W CB 0.938 30.371 29.460 -0.045 0.000 1.298 247 W HN 0.776 nan 8.180 nan 0.000 0.539 248 T N 1.613 116.171 114.554 0.006 0.000 3.209 248 T HA 0.119 4.470 4.350 0.001 0.000 0.366 248 T C 0.760 175.426 174.700 -0.058 0.000 1.293 248 T CA -0.478 61.642 62.100 0.034 0.000 1.417 248 T CB 0.634 69.478 68.868 -0.039 0.000 1.013 248 T HN 0.269 nan 8.240 nan 0.000 0.572 249 T N 2.094 116.549 114.554 -0.165 0.000 2.737 249 T HA 0.015 4.366 4.350 0.001 0.000 0.269 249 T C 0.509 174.706 174.700 -0.838 0.000 1.040 249 T CA 1.687 63.419 62.100 -0.612 0.000 1.142 249 T CB -0.330 67.855 68.868 -1.139 0.000 0.861 249 T HN 0.567 nan 8.240 nan 0.000 0.456 250 F N 0.301 120.143 119.950 -0.180 0.000 2.812 250 F HA 0.371 4.899 4.527 0.001 0.000 0.156 250 F C 1.347 177.244 175.800 0.162 0.000 1.267 250 F CA -1.020 56.920 58.000 -0.101 0.000 0.923 250 F CB -0.528 38.367 39.000 -0.175 0.000 2.108 250 F HN -0.176 nan 8.300 nan 0.000 0.583 251 N N 0.250 119.096 118.700 0.244 0.000 2.444 251 N HA 0.041 4.782 4.740 0.001 0.000 0.255 251 N C 0.822 176.231 175.510 -0.169 0.000 1.255 251 N CA 0.198 53.143 53.050 -0.175 0.000 0.933 251 N CB 1.278 39.111 38.487 -1.090 0.000 1.143 251 N HN 0.211 nan 8.380 nan 0.000 0.453 252 S N 0.363 115.996 115.700 -0.112 0.000 2.419 252 S HA -0.130 4.341 4.470 0.001 0.000 0.233 252 S C 1.250 175.970 174.600 0.200 0.000 1.016 252 S CA 1.057 59.285 58.200 0.047 0.000 0.974 252 S CB -0.300 62.969 63.200 0.114 0.000 0.786 252 S HN 0.617 nan 8.310 nan 0.000 0.492 253 F N 1.006 121.114 119.950 0.263 0.000 2.692 253 F HA 0.463 4.991 4.527 0.001 0.000 0.303 253 F C 0.291 176.195 175.800 0.172 0.000 1.114 253 F CA -0.700 57.411 58.000 0.185 0.000 1.361 253 F CB -0.651 38.412 39.000 0.104 0.000 1.063 253 F HN -0.016 nan 8.300 nan 0.000 0.550 254 Q N 0.970 120.934 119.800 0.273 0.000 2.339 254 Q HA 0.227 4.568 4.340 0.001 0.000 0.268 254 Q C -1.616 174.712 176.000 0.546 0.000 1.027 254 Q CA -0.607 55.412 55.803 0.360 0.000 0.759 254 Q CB 1.157 30.023 28.738 0.214 0.000 1.244 254 Q HN 0.220 nan 8.270 nan 0.000 0.464 255 W N 2.116 123.585 121.300 0.281 0.000 2.335 255 W HA 0.260 4.921 4.660 0.001 0.000 0.307 255 W C -0.343 176.493 176.519 0.527 0.000 1.117 255 W CA -1.427 56.110 57.345 0.320 0.000 1.228 255 W CB 0.506 30.037 29.460 0.117 0.000 1.240 255 W HN 0.494 nan 8.180 nan 0.000 0.468 256 D N 2.527 123.306 120.400 0.631 0.000 2.450 256 D HA 0.089 4.730 4.640 0.001 0.000 0.247 256 D C 0.306 176.901 176.300 0.493 0.000 1.162 256 D CA 0.371 54.659 54.000 0.480 0.000 0.879 256 D CB 0.651 41.544 40.800 0.156 0.000 1.163 256 D HN 0.065 nan 8.370 nan 0.000 0.472 257 L N 2.513 123.902 121.223 0.277 0.000 2.439 257 L HA 0.122 4.463 4.340 0.001 0.000 0.269 257 L C 0.978 177.746 176.870 -0.170 0.000 1.179 257 L CA -0.078 54.686 54.840 -0.127 0.000 0.828 257 L CB 0.387 42.308 42.059 -0.230 0.000 1.106 257 L HN 0.409 nan 8.230 nan 0.000 0.467 258 N N 1.114 119.503 118.700 -0.520 0.000 2.767 258 N HA 0.098 4.839 4.740 0.001 0.000 0.238 258 N C 0.103 175.369 175.510 -0.407 0.000 1.083 258 N CA -0.351 52.296 53.050 -0.671 0.000 0.964 258 N CB 0.313 38.208 38.487 -0.986 0.000 1.252 258 N HN 0.470 nan 8.380 nan 0.000 0.512 259 Y N 0.846 121.117 120.300 -0.048 0.000 2.632 259 Y HA -0.102 4.449 4.550 0.001 0.000 0.301 259 Y C 2.409 178.506 175.900 0.329 0.000 1.172 259 Y CA 0.375 58.577 58.100 0.170 0.000 1.328 259 Y CB 0.125 38.778 38.460 0.321 0.000 1.016 259 Y HN 0.588 nan 8.280 nan 0.000 0.529 260 S N -0.993 114.811 115.700 0.173 0.000 2.522 260 S HA -0.072 4.399 4.470 0.001 0.000 0.227 260 S C 0.705 175.501 174.600 0.327 0.000 0.986 260 S CA 0.069 58.419 58.200 0.251 0.000 0.929 260 S CB -0.288 62.865 63.200 -0.078 0.000 0.769 260 S HN 0.300 nan 8.310 nan 0.000 0.529 261 N N 2.429 121.195 118.700 0.111 0.000 2.426 261 N HA 0.375 5.115 4.740 0.001 0.000 0.257 261 N C -2.320 173.102 175.510 -0.147 0.000 1.002 261 N CA -2.395 50.633 53.050 -0.037 0.000 0.942 261 N CB 1.668 40.055 38.487 -0.166 0.000 1.112 261 N HN -0.092 nan 8.380 nan 0.000 0.499 262 P HA -0.070 nan 4.420 nan 0.000 0.217 262 P C 0.658 177.626 177.300 -0.553 0.000 1.148 262 P CA 1.382 63.929 63.100 -0.922 0.000 0.828 262 P CB 0.010 30.961 31.700 -1.247 0.000 0.783 263 W N -1.283 119.874 121.300 -0.238 0.000 2.465 263 W HA -0.072 4.588 4.660 0.001 0.000 0.268 263 W C 2.000 178.297 176.519 -0.370 0.000 1.242 263 W CA 0.116 57.339 57.345 -0.203 0.000 1.248 263 W CB -0.947 28.444 29.460 -0.115 0.000 1.118 263 W HN -0.216 nan 8.180 nan 0.000 0.587 264 V N -0.149 119.507 119.914 -0.430 0.000 2.379 264 V HA -0.281 3.839 4.120 0.001 0.000 0.245 264 V C 1.843 177.795 176.094 -0.237 0.000 1.044 264 V CA 1.646 63.520 62.300 -0.710 0.000 1.036 264 V CB -0.934 30.335 31.823 -0.924 0.000 0.664 264 V HN 0.184 nan 8.190 nan 0.000 0.453 265 F N 1.062 120.958 119.950 -0.090 0.000 2.102 265 F HA -0.174 4.354 4.527 0.001 0.000 0.298 265 F C 2.657 178.551 175.800 0.157 0.000 1.105 265 F CA 1.906 60.020 58.000 0.189 0.000 1.239 265 F CB -0.266 38.819 39.000 0.143 0.000 0.991 265 F HN -0.084 nan 8.300 nan 0.000 0.474 266 R N 1.194 121.789 120.500 0.159 0.000 2.083 266 R HA -0.177 4.164 4.340 0.001 0.000 0.237 266 R C 2.287 178.653 176.300 0.110 0.000 1.137 266 R CA 1.588 57.772 56.100 0.140 0.000 0.951 266 R CB -1.244 29.187 30.300 0.218 0.000 0.851 266 R HN 0.448 nan 8.270 nan 0.000 0.434 267 A N 0.879 123.749 122.820 0.083 0.000 1.865 267 A HA -0.176 4.145 4.320 0.001 0.000 0.217 267 A C 2.230 179.936 177.584 0.203 0.000 1.191 267 A CA 1.853 53.942 52.037 0.086 0.000 0.623 267 A CB -0.419 18.478 19.000 -0.171 0.000 0.826 267 A HN 0.230 nan 8.150 nan 0.000 0.444 268 M N -0.431 119.290 119.600 0.202 0.000 2.229 268 M HA -0.040 4.440 4.480 0.001 0.000 0.264 268 M C 2.437 178.959 176.300 0.370 0.000 1.063 268 M CA 1.322 56.806 55.300 0.306 0.000 1.114 268 M CB -1.621 31.255 32.600 0.459 0.000 1.387 268 M HN 0.497 nan 8.290 nan 0.000 0.420 269 A N 0.232 123.200 122.820 0.247 0.000 1.933 269 A HA 0.017 4.337 4.320 0.001 0.000 0.218 269 A C 2.441 180.133 177.584 0.180 0.000 1.175 269 A CA 1.844 53.998 52.037 0.195 0.000 0.628 269 A CB -1.348 17.589 19.000 -0.106 0.000 0.814 269 A HN 0.503 nan 8.150 nan 0.000 0.444 270 G N -0.482 108.428 108.800 0.184 0.000 2.408 270 G HA2 -0.161 3.800 3.960 0.001 0.000 0.217 270 G HA3 -0.161 3.800 3.960 0.001 0.000 0.217 270 G C 1.347 176.374 174.900 0.211 0.000 1.150 270 G CA 0.931 46.148 45.100 0.196 0.000 0.776 270 G HN 0.465 nan 8.290 nan 0.000 0.542 271 E N -0.029 120.294 120.200 0.205 0.000 2.150 271 E HA -0.067 4.284 4.350 0.001 0.000 0.193 271 E C 2.301 179.034 176.600 0.222 0.000 0.985 271 E CA 0.512 57.018 56.400 0.177 0.000 0.814 271 E CB -0.388 29.292 29.700 -0.034 0.000 0.752 271 E HN 0.525 nan 8.360 nan 0.000 0.466 272 M N 0.261 119.942 119.600 0.134 0.000 2.117 272 M HA -0.131 4.349 4.480 0.001 0.000 0.262 272 M C 2.094 178.395 176.300 0.002 0.000 1.065 272 M CA 1.202 56.418 55.300 -0.140 0.000 1.114 272 M CB -0.001 32.364 32.600 -0.390 0.000 1.361 272 M HN 0.052 nan 8.290 nan 0.000 0.408 273 L N -0.636 120.647 121.223 0.100 0.000 2.046 273 L HA -0.215 4.126 4.340 0.001 0.000 0.208 273 L C 2.432 179.380 176.870 0.130 0.000 1.077 273 L CA 1.296 56.209 54.840 0.120 0.000 0.747 273 L CB -0.843 41.310 42.059 0.158 0.000 0.896 273 L HN 0.335 nan 8.230 nan 0.000 0.432 274 F N 0.841 120.821 119.950 0.050 0.000 2.069 274 F HA -0.261 4.267 4.527 0.001 0.000 0.298 274 F C 2.207 178.034 175.800 0.045 0.000 1.113 274 F CA 1.672 59.704 58.000 0.052 0.000 1.214 274 F CB -0.294 38.741 39.000 0.059 0.000 0.978 274 F HN -0.133 nan 8.300 nan 0.000 0.474 275 L N -0.075 121.155 121.223 0.011 0.000 2.046 275 L HA -0.193 4.148 4.340 0.001 0.000 0.208 275 L C 2.835 179.642 176.870 -0.104 0.000 1.077 275 L CA 1.116 55.905 54.840 -0.086 0.000 0.747 275 L CB -1.294 40.794 42.059 0.049 0.000 0.896 275 L HN 0.296 nan 8.230 nan 0.000 0.432 276 A N 0.353 123.142 122.820 -0.052 0.000 1.883 276 A HA -0.235 4.086 4.320 0.001 0.000 0.217 276 A C 1.943 179.497 177.584 -0.049 0.000 1.186 276 A CA 2.133 54.155 52.037 -0.025 0.000 0.624 276 A CB -0.612 18.397 19.000 0.016 0.000 0.822 276 A HN 0.418 nan 8.150 nan 0.000 0.444 277 N N -0.202 118.447 118.700 -0.085 0.000 2.550 277 N HA 0.041 4.781 4.740 0.001 0.000 0.186 277 N C 1.249 176.671 175.510 -0.147 0.000 1.110 277 N CA 0.480 53.469 53.050 -0.102 0.000 0.912 277 N CB -0.310 38.123 38.487 -0.089 0.000 0.968 277 N HN 0.528 nan 8.380 nan 0.000 0.448 278 L N -1.265 119.834 121.223 -0.208 0.000 2.395 278 L HA 0.107 4.448 4.340 0.001 0.000 0.218 278 L C 1.158 177.975 176.870 -0.089 0.000 1.130 278 L CA 0.635 55.362 54.840 -0.188 0.000 0.826 278 L CB -0.155 41.769 42.059 -0.224 0.000 0.941 278 L HN 0.269 nan 8.230 nan 0.000 0.451 279 G N -0.373 108.400 108.800 -0.045 0.000 2.154 279 G HA2 -0.205 3.755 3.960 0.001 0.000 0.186 279 G HA3 -0.205 3.755 3.960 0.001 0.000 0.186 279 G C 0.140 175.082 174.900 0.069 0.000 1.000 279 G CA -0.226 44.902 45.100 0.047 0.000 0.664 279 G HN 0.020 nan 8.290 nan 0.000 0.513 280 V N 1.399 121.320 119.914 0.012 0.000 2.599 280 V HA 0.153 4.274 4.120 0.001 0.000 0.300 280 V C 1.284 177.407 176.094 0.049 0.000 1.034 280 V CA 0.961 63.273 62.300 0.020 0.000 1.115 280 V CB 1.176 33.007 31.823 0.013 0.000 0.934 280 V HN 0.359 nan 8.190 nan 0.000 0.485 281 D N 3.381 123.813 120.400 0.053 0.000 2.259 281 D HA 0.219 4.860 4.640 0.001 0.000 0.216 281 D C 0.340 176.714 176.300 0.123 0.000 0.961 281 D CA 1.125 55.159 54.000 0.058 0.000 0.878 281 D CB 0.813 41.635 40.800 0.037 0.000 1.009 281 D HN 0.393 nan 8.370 nan 0.000 0.490 282 I N 1.378 121.987 120.570 0.065 0.000 2.533 282 I HA 0.240 4.411 4.170 0.001 0.000 0.290 282 I C -0.902 175.240 176.117 0.043 0.000 1.056 282 I CA -0.567 60.794 61.300 0.102 0.000 1.057 282 I CB 2.914 40.935 38.000 0.036 0.000 1.240 282 I HN -0.278 nan 8.210 nan 0.000 0.423 283 L N 5.804 127.092 121.223 0.109 0.000 2.287 283 L HA 0.493 4.833 4.340 0.001 0.000 0.287 283 L C 0.282 177.155 176.870 0.005 0.000 1.022 283 L CA -0.572 54.283 54.840 0.025 0.000 0.814 283 L CB 1.450 43.460 42.059 -0.081 0.000 1.217 283 L HN 0.526 nan 8.230 nan 0.000 0.420 284 R N 4.598 125.090 120.500 -0.014 0.000 2.291 284 R HA 0.218 4.558 4.340 0.001 0.000 0.333 284 R C -0.471 175.856 176.300 0.046 0.000 1.082 284 R CA -0.620 55.491 56.100 0.019 0.000 0.948 284 R CB 0.457 30.740 30.300 -0.028 0.000 1.009 284 R HN 0.490 nan 8.270 nan 0.000 0.460 285 M N 4.006 123.595 119.600 -0.019 0.000 2.618 285 M HA 0.037 4.517 4.480 0.001 0.000 0.322 285 M C -0.413 175.972 176.300 0.141 0.000 1.471 285 M CA -0.126 55.105 55.300 -0.116 0.000 1.450 285 M CB -0.430 32.011 32.600 -0.263 0.000 1.444 285 M HN 0.488 nan 8.290 nan 0.000 0.471 286 D N 3.002 123.540 120.400 0.230 0.000 2.425 286 D HA 0.350 4.990 4.640 0.001 0.000 0.247 286 D C 0.606 177.113 176.300 0.345 0.000 1.147 286 D CA 0.605 54.760 54.000 0.258 0.000 0.879 286 D CB 0.732 41.689 40.800 0.261 0.000 1.179 286 D HN 0.808 nan 8.370 nan 0.000 0.456 287 A N 2.756 125.726 122.820 0.250 0.000 2.640 287 A HA -0.201 4.120 4.320 0.001 0.000 0.300 287 A C 1.624 179.413 177.584 0.341 0.000 1.499 287 A CA 0.962 53.242 52.037 0.406 0.000 0.759 287 A CB -2.304 17.015 19.000 0.531 0.000 1.048 287 A HN 1.051 nan 8.150 nan 0.000 0.450 288 V N -3.133 116.889 119.914 0.180 0.000 2.469 288 V HA -0.064 4.057 4.120 0.001 0.000 0.251 288 V C 2.442 178.482 176.094 -0.091 0.000 1.064 288 V CA 2.524 64.875 62.300 0.084 0.000 1.066 288 V CB -1.486 30.283 31.823 -0.090 0.000 0.667 288 V HN 1.866 nan 8.190 nan 0.000 0.461 289 A N -0.031 122.632 122.820 -0.261 0.000 2.067 289 A HA 0.057 4.378 4.320 0.001 0.000 0.219 289 A C 1.776 179.112 177.584 -0.413 0.000 1.158 289 A CA 1.672 53.500 52.037 -0.348 0.000 0.661 289 A CB -0.820 17.832 19.000 -0.580 0.000 0.801 289 A HN 0.654 nan 8.150 nan 0.000 0.452 290 F N -0.169 119.776 119.950 -0.008 0.000 2.727 290 F HA 0.194 4.722 4.527 0.001 0.000 0.302 290 F C 1.660 177.398 175.800 -0.104 0.000 1.097 290 F CA 0.009 57.975 58.000 -0.056 0.000 1.330 290 F CB -0.257 38.712 39.000 -0.052 0.000 1.084 290 F HN 0.297 nan 8.300 nan 0.000 0.578 291 I N -2.698 117.884 120.570 0.019 0.000 3.334 291 I HA -0.080 4.091 4.170 0.001 0.000 0.282 291 I C 0.275 176.486 176.117 0.156 0.000 1.313 291 I CA 0.661 61.948 61.300 -0.022 0.000 1.396 291 I CB -0.067 37.713 38.000 -0.368 0.000 1.054 291 I HN 0.179 nan 8.210 nan 0.000 0.495 292 W N 2.894 124.135 121.300 -0.098 0.000 2.998 292 W HA 0.430 5.091 4.660 0.001 0.000 0.335 292 W C -1.209 175.224 176.519 -0.143 0.000 1.110 292 W CA -0.814 56.485 57.345 -0.076 0.000 1.230 292 W CB 2.038 31.459 29.460 -0.064 0.000 1.405 292 W HN -0.177 nan 8.180 nan 0.000 0.493 293 K N 3.770 123.705 120.400 -0.774 0.000 2.259 293 K HA 0.460 4.781 4.320 0.001 0.000 0.249 293 K C -1.044 175.366 176.600 -0.316 0.000 0.942 293 K CA -1.044 54.898 56.287 -0.575 0.000 0.816 293 K CB 2.367 34.223 32.500 -1.074 0.000 1.155 293 K HN 0.411 nan 8.250 nan 0.000 0.428 294 Q N 1.912 121.755 119.800 0.071 0.000 2.331 294 Q HA 0.259 4.600 4.340 0.001 0.000 0.249 294 Q C -1.340 174.856 176.000 0.327 0.000 0.913 294 Q CA -0.456 55.480 55.803 0.221 0.000 0.874 294 Q CB 1.354 30.240 28.738 0.247 0.000 1.384 294 Q HN 0.606 nan 8.270 nan 0.000 0.427 295 M N 3.514 123.335 119.600 0.368 0.000 2.240 295 M HA 0.333 4.814 4.480 0.001 0.000 0.346 295 M C 1.201 177.563 176.300 0.103 0.000 1.236 295 M CA 2.589 57.987 55.300 0.164 0.000 0.986 295 M CB -0.147 32.381 32.600 -0.120 0.000 1.786 295 M HN 1.045 nan 8.290 nan 0.000 0.457 296 G N 2.332 111.177 108.800 0.076 0.000 2.199 296 G HA2 -0.234 3.726 3.960 0.001 0.000 0.254 296 G HA3 -0.234 3.726 3.960 0.001 0.000 0.254 296 G C 0.218 175.164 174.900 0.078 0.000 0.982 296 G CA 0.636 45.767 45.100 0.050 0.000 0.632 296 G HN 1.256 nan 8.290 nan 0.000 0.529 297 T N -2.212 112.417 114.554 0.125 0.000 2.940 297 T HA 0.686 5.036 4.350 0.001 0.000 0.288 297 T C 1.578 176.354 174.700 0.127 0.000 1.045 297 T CA 0.820 62.986 62.100 0.110 0.000 1.018 297 T CB 1.511 70.451 68.868 0.121 0.000 1.151 297 T HN 1.092 nan 8.240 nan 0.000 0.529 298 S N -0.985 114.771 115.700 0.094 0.000 2.547 298 S HA -0.012 4.459 4.470 0.001 0.000 0.235 298 S C 1.230 175.899 174.600 0.115 0.000 0.980 298 S CA 0.222 58.476 58.200 0.091 0.000 0.941 298 S CB -1.548 61.684 63.200 0.053 0.000 0.763 298 S HN 1.121 nan 8.310 nan 0.000 0.532 299 C N 1.345 120.717 119.300 0.120 0.000 4.454 299 C HA -0.107 4.354 4.460 0.001 0.000 0.298 299 C C 0.107 175.113 174.990 0.026 0.000 1.384 299 C CA 0.521 59.597 59.018 0.097 0.000 2.002 299 C CB -2.777 25.053 27.740 0.151 0.000 1.249 299 C HN 0.756 nan 8.230 nan 0.000 0.783 300 E N -0.279 119.910 120.200 -0.019 0.000 2.314 300 E HA 0.389 4.740 4.350 0.001 0.000 0.272 300 E C 0.209 176.776 176.600 -0.056 0.000 0.884 300 E CA -0.818 55.484 56.400 -0.164 0.000 0.753 300 E CB 1.042 30.599 29.700 -0.239 0.000 1.213 300 E HN 0.299 nan 8.360 nan 0.000 0.432 301 N N 0.955 119.630 118.700 -0.041 0.000 2.708 301 N HA -0.211 4.529 4.740 0.001 0.000 0.251 301 N C -0.298 175.237 175.510 0.042 0.000 1.123 301 N CA 0.800 53.879 53.050 0.050 0.000 0.739 301 N CB -1.452 37.106 38.487 0.118 0.000 1.113 301 N HN 0.480 nan 8.380 nan 0.000 0.561 302 L N 0.371 121.620 121.223 0.044 0.000 2.467 302 L HA 0.060 4.400 4.340 0.001 0.000 0.270 302 L C -0.563 176.320 176.870 0.022 0.000 1.205 302 L CA -1.257 53.625 54.840 0.071 0.000 0.828 302 L CB 0.118 42.288 42.059 0.185 0.000 1.101 302 L HN -0.173 nan 8.230 nan 0.000 0.479 303 P HA -0.227 nan 4.420 nan 0.000 0.216 303 P C 1.117 178.305 177.300 -0.185 0.000 1.157 303 P CA 1.294 64.356 63.100 -0.063 0.000 0.880 303 P CB 0.177 31.805 31.700 -0.119 0.000 0.791 304 Q N -0.966 118.569 119.800 -0.441 0.000 2.226 304 Q HA -0.098 4.242 4.340 0.001 0.000 0.204 304 Q C 2.179 177.945 176.000 -0.391 0.000 0.975 304 Q CA 1.736 57.115 55.803 -0.707 0.000 0.866 304 Q CB -1.113 26.555 28.738 -1.783 0.000 0.915 304 Q HN 0.209 nan 8.270 nan 0.000 0.440 305 A N 0.313 123.020 122.820 -0.187 0.000 1.877 305 A HA -0.227 4.094 4.320 0.001 0.000 0.216 305 A C 1.746 179.292 177.584 -0.064 0.000 1.186 305 A CA 1.515 53.508 52.037 -0.072 0.000 0.620 305 A CB -0.700 18.264 19.000 -0.060 0.000 0.822 305 A HN 0.399 nan 8.150 nan 0.000 0.443 306 H N -0.405 118.652 119.070 -0.021 0.000 2.353 306 H HA -0.048 4.508 4.556 0.001 0.000 0.300 306 H C 2.589 177.897 175.328 -0.033 0.000 1.090 306 H CA 1.468 57.498 56.048 -0.029 0.000 1.327 306 H CB -0.519 29.151 29.762 -0.154 0.000 1.383 306 H HN 0.528 nan 8.280 nan 0.000 0.508 307 A N 1.263 124.078 122.820 -0.008 0.000 1.908 307 A HA -0.128 4.192 4.320 0.001 0.000 0.218 307 A C 2.734 180.265 177.584 -0.089 0.000 1.181 307 A CA 1.138 53.115 52.037 -0.100 0.000 0.627 307 A CB -0.914 17.946 19.000 -0.234 0.000 0.818 307 A HN 0.268 nan 8.150 nan 0.000 0.445 308 L N -0.652 120.517 121.223 -0.090 0.000 2.046 308 L HA -0.182 4.159 4.340 0.001 0.000 0.208 308 L C 2.457 179.474 176.870 0.244 0.000 1.077 308 L CA 1.316 56.143 54.840 -0.021 0.000 0.747 308 L CB -0.500 41.563 42.059 0.006 0.000 0.896 308 L HN 0.386 nan 8.230 nan 0.000 0.432 309 I N -0.715 120.057 120.570 0.336 0.000 2.315 309 I HA -0.247 3.923 4.170 0.001 0.000 0.248 309 I C 2.658 179.026 176.117 0.418 0.000 1.117 309 I CA 1.086 62.676 61.300 0.484 0.000 1.404 309 I CB -0.304 37.938 38.000 0.403 0.000 1.071 309 I HN 0.201 nan 8.210 nan 0.000 0.419 310 R N 0.743 121.387 120.500 0.241 0.000 2.115 310 R HA -0.060 4.281 4.340 0.001 0.000 0.230 310 R C 2.457 178.839 176.300 0.135 0.000 1.111 310 R CA 1.246 57.439 56.100 0.155 0.000 0.976 310 R CB -0.336 29.997 30.300 0.054 0.000 0.870 310 R HN 0.348 nan 8.270 nan 0.000 0.445 311 A N 0.809 123.689 122.820 0.099 0.000 1.873 311 A HA -0.133 4.188 4.320 0.001 0.000 0.215 311 A C 1.936 179.688 177.584 0.279 0.000 1.186 311 A CA 1.078 53.143 52.037 0.047 0.000 0.616 311 A CB -0.695 18.167 19.000 -0.230 0.000 0.823 311 A HN 0.219 nan 8.150 nan 0.000 0.442 312 F N 0.063 120.284 119.950 0.452 0.000 2.126 312 F HA -0.236 4.291 4.527 0.001 0.000 0.299 312 F C 2.315 178.339 175.800 0.374 0.000 1.096 312 F CA 1.621 59.864 58.000 0.405 0.000 1.255 312 F CB -0.361 38.798 39.000 0.266 0.000 0.997 312 F HN 0.400 nan 8.300 nan 0.000 0.479 313 N N 0.320 119.349 118.700 0.548 0.000 2.104 313 N HA -0.220 4.521 4.740 0.001 0.000 0.190 313 N C 1.865 177.345 175.510 -0.050 0.000 1.024 313 N CA 1.305 54.404 53.050 0.083 0.000 0.853 313 N CB -0.216 38.274 38.487 0.005 0.000 1.008 313 N HN 0.197 nan 8.380 nan 0.000 0.424 314 A N 0.032 122.872 122.820 0.033 0.000 1.933 314 A HA -0.090 4.231 4.320 0.001 0.000 0.218 314 A C 2.318 179.908 177.584 0.009 0.000 1.175 314 A CA 1.457 53.483 52.037 -0.018 0.000 0.628 314 A CB -0.797 18.212 19.000 0.015 0.000 0.814 314 A HN 0.229 nan 8.150 nan 0.000 0.444 315 V N -0.127 119.862 119.914 0.125 0.000 2.407 315 V HA -0.279 3.842 4.120 0.001 0.000 0.248 315 V C 2.632 178.776 176.094 0.084 0.000 1.055 315 V CA 1.926 64.322 62.300 0.159 0.000 1.049 315 V CB -0.670 31.308 31.823 0.259 0.000 0.662 315 V HN 0.508 nan 8.190 nan 0.000 0.455 316 M N -0.666 118.947 119.600 0.022 0.000 2.200 316 M HA -0.035 4.445 4.480 0.001 0.000 0.265 316 M C 2.305 178.516 176.300 -0.148 0.000 1.066 316 M CA 1.409 56.676 55.300 -0.055 0.000 1.127 316 M CB -1.101 31.401 32.600 -0.163 0.000 1.379 316 M HN 0.274 nan 8.290 nan 0.000 0.420 317 R N 0.247 120.576 120.500 -0.285 0.000 2.152 317 R HA -0.011 4.329 4.340 0.001 0.000 0.232 317 R C 2.046 178.128 176.300 -0.363 0.000 1.117 317 R CA 1.182 56.972 56.100 -0.517 0.000 0.981 317 R CB -0.759 28.908 30.300 -1.056 0.000 0.870 317 R HN 0.440 nan 8.270 nan 0.000 0.451 318 I N -0.372 120.090 120.570 -0.182 0.000 2.385 318 I HA -0.055 4.116 4.170 0.001 0.000 0.244 318 I C 2.059 178.151 176.117 -0.043 0.000 1.089 318 I CA 1.046 62.279 61.300 -0.111 0.000 1.410 318 I CB -0.186 37.785 38.000 -0.049 0.000 1.117 318 I HN 0.012 nan 8.210 nan 0.000 0.429 319 A N 0.146 123.026 122.820 0.101 0.000 2.303 319 A HA 0.661 4.982 4.320 0.001 0.000 0.217 319 A C 0.997 178.747 177.584 0.278 0.000 1.205 319 A CA 0.624 52.811 52.037 0.249 0.000 0.875 319 A CB 0.134 19.327 19.000 0.322 0.000 0.910 319 A HN 0.344 nan 8.150 nan 0.000 0.501 320 A N -0.462 122.443 122.820 0.142 0.000 3.068 320 A HA 0.551 4.872 4.320 0.001 0.000 0.269 320 A C -2.130 175.484 177.584 0.049 0.000 1.259 320 A CA -0.404 51.716 52.037 0.138 0.000 0.938 320 A CB -0.057 19.010 19.000 0.112 0.000 1.433 320 A HN 0.016 nan 8.150 nan 0.000 0.664 321 P HA -0.236 nan 4.420 nan 0.000 0.218 321 P C 1.708 179.057 177.300 0.081 0.000 1.146 321 P CA 2.195 65.290 63.100 -0.009 0.000 0.820 321 P CB 0.320 32.019 31.700 -0.002 0.000 0.778 322 A N -1.179 121.684 122.820 0.071 0.000 2.066 322 A HA -0.011 4.310 4.320 0.001 0.000 0.218 322 A C 0.987 178.686 177.584 0.191 0.000 1.157 322 A CA 0.597 52.669 52.037 0.057 0.000 0.670 322 A CB -0.898 18.059 19.000 -0.072 0.000 0.804 322 A HN 0.042 nan 8.150 nan 0.000 0.453 323 V N 1.573 121.584 119.914 0.162 0.000 2.405 323 V HA 0.273 4.393 4.120 0.001 0.000 0.264 323 V C -0.374 175.840 176.094 0.200 0.000 1.048 323 V CA -0.023 62.383 62.300 0.177 0.000 0.966 323 V CB -0.376 31.491 31.823 0.073 0.000 1.015 323 V HN 0.294 nan 8.190 nan 0.000 0.477 324 F N 4.368 124.319 119.950 0.002 0.000 2.450 324 F HA 0.719 5.247 4.527 0.001 0.000 0.328 324 F C -0.037 175.815 175.800 0.086 0.000 1.068 324 F CA -1.222 56.743 58.000 -0.059 0.000 1.007 324 F CB 1.421 40.501 39.000 0.133 0.000 1.251 324 F HN 0.242 nan 8.300 nan 0.000 0.492 325 F N 0.757 120.768 119.950 0.102 0.000 2.480 325 F HA 0.450 4.977 4.527 0.001 0.000 0.329 325 F C -0.065 175.764 175.800 0.047 0.000 1.091 325 F CA -1.749 56.262 58.000 0.018 0.000 0.972 325 F CB 1.584 40.560 39.000 -0.040 0.000 1.150 325 F HN 0.186 nan 8.300 nan 0.000 0.467 326 K N 1.697 122.232 120.400 0.224 0.000 2.449 326 K HA 0.397 4.718 4.320 0.001 0.000 0.257 326 K C -0.403 176.288 176.600 0.151 0.000 0.989 326 K CA -0.254 56.110 56.287 0.129 0.000 0.916 326 K CB 1.185 33.709 32.500 0.040 0.000 1.136 326 K HN 0.636 nan 8.250 nan 0.000 0.439 327 S N 3.161 118.966 115.700 0.175 0.000 2.531 327 S HA 0.013 4.484 4.470 0.001 0.000 0.279 327 S C -0.311 174.447 174.600 0.264 0.000 1.305 327 S CA -0.310 57.993 58.200 0.173 0.000 1.058 327 S CB 0.630 63.937 63.200 0.178 0.000 0.899 327 S HN 0.708 nan 8.310 nan 0.000 0.493 328 E N 3.785 124.087 120.200 0.170 0.000 2.167 328 E HA 0.466 4.817 4.350 0.001 0.000 0.247 328 E C -1.192 175.404 176.600 -0.007 0.000 0.961 328 E CA -0.460 56.008 56.400 0.114 0.000 0.797 328 E CB 0.608 30.334 29.700 0.043 0.000 1.182 328 E HN 0.677 nan 8.360 nan 0.000 0.437 329 A N 6.262 129.084 122.820 0.003 0.000 2.483 329 A HA 0.350 4.671 4.320 0.001 0.000 0.308 329 A C -0.427 177.195 177.584 0.064 0.000 1.291 329 A CA -0.628 51.369 52.037 -0.066 0.000 0.774 329 A CB 0.262 19.127 19.000 -0.225 0.000 1.134 329 A HN 0.463 nan 8.150 nan 0.000 0.471 330 I N 4.578 125.177 120.570 0.048 0.000 2.243 330 I HA 0.262 4.433 4.170 0.001 0.000 0.289 330 I C 0.362 176.521 176.117 0.070 0.000 1.140 330 I CA 0.173 61.508 61.300 0.059 0.000 1.289 330 I CB -0.809 37.198 38.000 0.012 0.000 1.498 330 I HN 0.456 nan 8.210 nan 0.000 0.561 331 V N 0.981 120.954 119.914 0.098 0.000 3.087 331 V HA 0.516 4.637 4.120 0.001 0.000 0.311 331 V C 0.376 176.554 176.094 0.140 0.000 1.333 331 V CA -1.043 61.323 62.300 0.110 0.000 1.054 331 V CB 1.792 33.685 31.823 0.117 0.000 1.123 331 V HN 0.478 nan 8.190 nan 0.000 0.473 332 H N 1.507 120.621 119.070 0.073 0.000 3.064 332 H HA 0.145 4.702 4.556 0.001 0.000 0.329 332 H C -1.961 173.439 175.328 0.119 0.000 1.020 332 H CA -0.071 56.022 56.048 0.075 0.000 1.402 332 H CB 1.778 31.575 29.762 0.058 0.000 1.379 332 H HN 0.409 nan 8.280 nan 0.000 0.594 333 P HA -0.182 nan 4.420 nan 0.000 0.216 333 P C 0.988 178.467 177.300 0.298 0.000 1.154 333 P CA 1.558 64.738 63.100 0.134 0.000 0.865 333 P CB 0.333 32.044 31.700 0.018 0.000 0.789 334 D N -1.389 119.295 120.400 0.473 0.000 2.178 334 D HA -0.150 4.491 4.640 0.001 0.000 0.201 334 D C 2.024 178.453 176.300 0.215 0.000 0.980 334 D CA 1.045 55.223 54.000 0.297 0.000 0.842 334 D CB -0.381 40.541 40.800 0.204 0.000 0.948 334 D HN 0.233 nan 8.370 nan 0.000 0.472 335 Q N 0.211 120.170 119.800 0.265 0.000 2.163 335 Q HA 0.005 4.346 4.340 0.001 0.000 0.198 335 Q C 2.596 178.799 176.000 0.338 0.000 0.954 335 Q CA 0.236 56.180 55.803 0.235 0.000 0.851 335 Q CB -0.562 28.323 28.738 0.244 0.000 0.928 335 Q HN 0.199 nan 8.270 nan 0.000 0.459 336 V N 0.844 120.978 119.914 0.367 0.000 2.282 336 V HA -0.211 3.910 4.120 0.001 0.000 0.249 336 V C 2.365 178.721 176.094 0.437 0.000 1.057 336 V CA 1.848 64.413 62.300 0.441 0.000 1.032 336 V CB -0.772 31.294 31.823 0.405 0.000 0.645 336 V HN 0.187 nan 8.190 nan 0.000 0.447 337 V N -0.656 119.455 119.914 0.328 0.000 2.759 337 V HA -0.262 3.859 4.120 0.001 0.000 0.256 337 V C 2.311 178.439 176.094 0.057 0.000 1.080 337 V CA 1.974 64.378 62.300 0.173 0.000 1.101 337 V CB -0.329 31.594 31.823 0.167 0.000 0.698 337 V HN 0.655 nan 8.190 nan 0.000 0.477 338 Q N -1.385 118.430 119.800 0.026 0.000 2.364 338 Q HA -0.139 4.202 4.340 0.001 0.000 0.207 338 Q C 1.617 177.497 176.000 -0.200 0.000 0.970 338 Q CA 1.544 57.233 55.803 -0.190 0.000 0.888 338 Q CB -0.066 28.446 28.738 -0.377 0.000 0.951 338 Q HN 0.830 nan 8.270 nan 0.000 0.469 339 Y N -0.358 120.050 120.300 0.180 0.000 2.523 339 Y HA 0.115 4.665 4.550 0.001 0.000 0.279 339 Y C 0.569 176.530 175.900 0.101 0.000 1.139 339 Y CA 0.060 58.295 58.100 0.225 0.000 1.296 339 Y CB 0.551 39.141 38.460 0.216 0.000 1.045 339 Y HN -0.017 nan 8.280 nan 0.000 0.538 340 I N 0.875 121.514 120.570 0.115 0.000 2.312 340 I HA 0.503 4.674 4.170 0.001 0.000 0.291 340 I C 0.522 176.603 176.117 -0.059 0.000 1.031 340 I CA -0.122 61.168 61.300 -0.016 0.000 1.293 340 I CB 0.509 38.387 38.000 -0.202 0.000 1.403 340 I HN 0.106 nan 8.210 nan 0.000 0.484 341 G N 4.020 112.801 108.800 -0.033 0.000 2.702 341 G HA2 0.143 4.104 3.960 0.001 0.000 0.296 341 G HA3 0.143 4.104 3.960 0.001 0.000 0.296 341 G C -0.245 174.630 174.900 -0.042 0.000 1.463 341 G CA -0.498 44.575 45.100 -0.046 0.000 0.890 341 G HN 0.576 nan 8.290 nan 0.000 0.534 342 Q N -0.248 119.530 119.800 -0.036 0.000 2.152 342 Q HA -0.150 4.190 4.340 0.001 0.000 0.206 342 Q C 0.927 176.857 176.000 -0.118 0.000 0.985 342 Q CA 2.126 57.895 55.803 -0.056 0.000 0.863 342 Q CB 0.097 28.845 28.738 0.016 0.000 0.904 342 Q HN 0.506 nan 8.270 nan 0.000 0.422 343 D N -0.554 119.803 120.400 -0.071 0.000 2.339 343 D HA 0.041 4.682 4.640 0.001 0.000 0.217 343 D C 0.557 176.842 176.300 -0.025 0.000 1.050 343 D CA 0.280 54.238 54.000 -0.071 0.000 0.856 343 D CB 0.488 41.263 40.800 -0.041 0.000 0.922 343 D HN 0.424 nan 8.370 nan 0.000 0.518 344 E N -1.049 119.157 120.200 0.011 0.000 3.419 344 E HA 0.199 4.550 4.350 0.001 0.000 0.273 344 E C -0.521 176.196 176.600 0.196 0.000 0.962 344 E CA -0.329 56.153 56.400 0.136 0.000 1.015 344 E CB 0.961 30.752 29.700 0.152 0.000 2.979 344 E HN -0.084 nan 8.360 nan 0.000 0.568 345 C N 2.306 121.729 119.300 0.206 0.000 2.251 345 C HA 0.289 4.750 4.460 0.001 0.000 0.323 345 C C 0.867 175.905 174.990 0.081 0.000 1.241 345 C CA -0.528 58.625 59.018 0.226 0.000 1.601 345 C CB 0.490 28.390 27.740 0.267 0.000 2.251 345 C HN 0.596 nan 8.230 nan 0.000 0.488 346 Q N 2.116 121.928 119.800 0.019 0.000 2.226 346 Q HA 0.001 4.342 4.340 0.001 0.000 0.204 346 Q C 0.657 176.657 176.000 0.000 0.000 0.975 346 Q CA 1.179 56.984 55.803 0.003 0.000 0.866 346 Q CB -0.027 28.749 28.738 0.063 0.000 0.915 346 Q HN 0.910 nan 8.270 nan 0.000 0.440 347 I N -5.210 115.379 120.570 0.032 0.000 3.074 347 I HA 0.875 5.046 4.170 0.001 0.000 0.310 347 I C -0.429 175.706 176.117 0.030 0.000 1.153 347 I CA -1.402 59.885 61.300 -0.022 0.000 0.993 347 I CB 2.347 40.325 38.000 -0.036 0.000 1.237 347 I HN -0.087 nan 8.210 nan 0.000 0.443 348 G N 1.593 110.419 108.800 0.043 0.000 2.703 348 G HA2 0.505 4.465 3.960 0.001 0.000 0.294 348 G HA3 0.505 4.465 3.960 0.001 0.000 0.294 348 G C -1.866 173.216 174.900 0.304 0.000 1.451 348 G CA -0.678 44.523 45.100 0.168 0.000 0.869 348 G HN 0.579 nan 8.290 nan 0.000 0.516 349 Y N 0.631 121.068 120.300 0.229 0.000 2.683 349 Y HA 0.159 4.710 4.550 0.001 0.000 0.340 349 Y C 1.145 177.317 175.900 0.454 0.000 1.245 349 Y CA 0.486 58.725 58.100 0.231 0.000 1.485 349 Y CB 0.828 39.294 38.460 0.011 0.000 1.328 349 Y HN 0.470 nan 8.280 nan 0.000 0.603 350 N N 4.675 123.722 118.700 0.578 0.000 3.112 350 N HA 0.201 4.942 4.740 0.001 0.000 0.270 350 N C -2.111 173.464 175.510 0.108 0.000 1.385 350 N CA -2.460 50.618 53.050 0.046 0.000 0.986 350 N CB 0.486 38.735 38.487 -0.397 0.000 1.261 350 N HN 0.277 nan 8.380 nan 0.000 0.495 351 P HA -0.162 nan 4.420 nan 0.000 0.220 351 P C 1.539 178.819 177.300 -0.033 0.000 1.148 351 P CA 0.418 63.593 63.100 0.126 0.000 0.803 351 P CB 0.638 32.438 31.700 0.166 0.000 0.782 352 L N 0.490 121.670 121.223 -0.071 0.000 1.994 352 L HA -0.152 4.189 4.340 0.001 0.000 0.208 352 L C 2.816 179.630 176.870 -0.093 0.000 1.071 352 L CA 1.965 56.770 54.840 -0.059 0.000 0.745 352 L CB -1.664 40.345 42.059 -0.084 0.000 0.892 352 L HN -0.083 nan 8.230 nan 0.000 0.431 353 Q N -1.193 118.483 119.800 -0.207 0.000 2.050 353 Q HA -0.257 4.084 4.340 0.001 0.000 0.202 353 Q C 2.310 178.204 176.000 -0.176 0.000 0.980 353 Q CA 2.202 57.889 55.803 -0.194 0.000 0.840 353 Q CB -0.284 28.305 28.738 -0.249 0.000 0.898 353 Q HN 0.585 nan 8.270 nan 0.000 0.424 354 M N 0.321 119.758 119.600 -0.271 0.000 2.065 354 M HA -0.200 4.281 4.480 0.001 0.000 0.259 354 M C 2.049 178.311 176.300 -0.065 0.000 1.069 354 M CA 2.148 57.248 55.300 -0.334 0.000 1.110 354 M CB -0.736 31.373 32.600 -0.817 0.000 1.328 354 M HN 0.320 nan 8.290 nan 0.000 0.405 355 A N 0.784 123.600 122.820 -0.007 0.000 1.908 355 A HA -0.175 4.146 4.320 0.001 0.000 0.218 355 A C 2.147 179.935 177.584 0.340 0.000 1.181 355 A CA 1.724 53.881 52.037 0.199 0.000 0.627 355 A CB -1.053 18.073 19.000 0.211 0.000 0.818 355 A HN 0.643 nan 8.150 nan 0.000 0.445 356 L N -0.688 120.637 121.223 0.170 0.000 2.291 356 L HA -0.091 4.250 4.340 0.001 0.000 0.214 356 L C 2.417 179.304 176.870 0.028 0.000 1.120 356 L CA 0.400 55.304 54.840 0.106 0.000 0.799 356 L CB -0.470 41.597 42.059 0.014 0.000 0.925 356 L HN 0.388 nan 8.230 nan 0.000 0.446 357 L N -1.456 119.753 121.223 -0.023 0.000 2.017 357 L HA -0.202 4.139 4.340 0.001 0.000 0.208 357 L C 2.396 179.246 176.870 -0.033 0.000 1.073 357 L CA 1.784 56.563 54.840 -0.102 0.000 0.745 357 L CB -0.456 41.437 42.059 -0.278 0.000 0.894 357 L HN 0.339 nan 8.230 nan 0.000 0.432 358 W N 0.120 121.521 121.300 0.168 0.000 2.388 358 W HA -0.166 4.494 4.660 0.001 0.000 0.294 358 W C 2.517 179.276 176.519 0.400 0.000 1.212 358 W CA 1.138 58.642 57.345 0.265 0.000 1.271 358 W CB -0.495 28.978 29.460 0.022 0.000 1.126 358 W HN 0.252 nan 8.180 nan 0.000 0.535 359 N N -0.111 118.875 118.700 0.478 0.000 2.069 359 N HA -0.193 4.548 4.740 0.001 0.000 0.191 359 N C 1.498 177.096 175.510 0.147 0.000 1.031 359 N CA 2.795 55.988 53.050 0.238 0.000 0.852 359 N CB -0.579 37.999 38.487 0.151 0.000 1.018 359 N HN -0.098 nan 8.380 nan 0.000 0.423 360 T N 0.608 115.192 114.554 0.049 0.000 2.788 360 T HA -0.057 4.294 4.350 0.001 0.000 0.268 360 T C 1.839 176.645 174.700 0.177 0.000 1.044 360 T CA 0.939 62.976 62.100 -0.104 0.000 1.139 360 T CB -0.282 68.171 68.868 -0.691 0.000 0.867 360 T HN 0.191 nan 8.240 nan 0.000 0.454 361 L N 0.499 121.975 121.223 0.422 0.000 2.083 361 L HA -0.086 4.255 4.340 0.001 0.000 0.209 361 L C 2.973 180.109 176.870 0.444 0.000 1.083 361 L CA 1.135 56.343 54.840 0.613 0.000 0.752 361 L CB -0.577 41.904 42.059 0.704 0.000 0.899 361 L HN 0.277 nan 8.230 nan 0.000 0.433 362 A N -0.122 122.765 122.820 0.112 0.000 1.872 362 A HA -0.175 4.146 4.320 0.001 0.000 0.214 362 A C 2.382 179.759 177.584 -0.344 0.000 1.187 362 A CA 1.987 53.610 52.037 -0.690 0.000 0.614 362 A CB -0.793 17.551 19.000 -1.094 0.000 0.826 362 A HN 0.474 nan 8.150 nan 0.000 0.442 363 T N -5.297 109.211 114.554 -0.077 0.000 3.054 363 T HA 0.129 4.479 4.350 0.001 0.000 0.259 363 T C 1.034 175.772 174.700 0.062 0.000 1.092 363 T CA 0.916 63.002 62.100 -0.024 0.000 1.121 363 T CB -0.035 68.833 68.868 0.001 0.000 0.912 363 T HN 0.387 nan 8.240 nan 0.000 0.489 364 R N 0.730 121.312 120.500 0.138 0.000 3.977 364 R HA -0.116 4.224 4.340 0.001 0.000 0.428 364 R C -0.708 175.760 176.300 0.280 0.000 1.079 364 R CA 1.400 57.643 56.100 0.238 0.000 1.269 364 R CB -2.154 28.263 30.300 0.194 0.000 1.856 364 R HN 0.691 nan 8.270 nan 0.000 0.551 365 E N -0.008 120.252 120.200 0.100 0.000 2.158 365 E HA 0.281 4.632 4.350 0.001 0.000 0.271 365 E C 0.791 177.341 176.600 -0.084 0.000 0.911 365 E CA 0.135 56.535 56.400 -0.000 0.000 0.767 365 E CB 1.789 31.456 29.700 -0.055 0.000 1.120 365 E HN 0.092 nan 8.360 nan 0.000 0.405 366 V N 0.698 120.557 119.914 -0.092 0.000 3.573 366 V HA -0.146 3.975 4.120 0.001 0.000 0.270 366 V C 1.335 177.391 176.094 -0.064 0.000 1.221 366 V CA 0.742 62.963 62.300 -0.132 0.000 1.163 366 V CB -1.062 30.731 31.823 -0.050 0.000 0.847 366 V HN 0.552 nan 8.190 nan 0.000 0.468 367 N N 2.583 121.239 118.700 -0.073 0.000 2.036 367 N HA -0.297 4.444 4.740 0.001 0.000 0.199 367 N C 1.551 177.056 175.510 -0.008 0.000 1.036 367 N CA 2.691 55.715 53.050 -0.044 0.000 0.870 367 N CB -1.164 37.272 38.487 -0.085 0.000 1.055 367 N HN 0.530 nan 8.380 nan 0.000 0.436 368 L N -1.054 120.121 121.223 -0.081 0.000 2.046 368 L HA -0.076 4.265 4.340 0.001 0.000 0.208 368 L C 2.504 179.354 176.870 -0.033 0.000 1.077 368 L CA 0.844 55.633 54.840 -0.085 0.000 0.747 368 L CB -0.503 41.439 42.059 -0.195 0.000 0.896 368 L HN 0.185 nan 8.230 nan 0.000 0.432 369 L N -0.796 120.391 121.223 -0.060 0.000 2.046 369 L HA -0.266 4.075 4.340 0.001 0.000 0.208 369 L C 2.680 179.542 176.870 -0.013 0.000 1.077 369 L CA 1.847 56.648 54.840 -0.065 0.000 0.747 369 L CB -0.899 41.070 42.059 -0.151 0.000 0.896 369 L HN 0.289 nan 8.230 nan 0.000 0.432 370 H N -0.531 118.513 119.070 -0.043 0.000 2.321 370 H HA -0.224 4.332 4.556 0.001 0.000 0.300 370 H C 2.129 177.465 175.328 0.013 0.000 1.087 370 H CA 2.185 58.228 56.048 -0.008 0.000 1.319 370 H CB 0.073 29.838 29.762 0.004 0.000 1.379 370 H HN 0.583 nan 8.280 nan 0.000 0.501 371 Q N 0.228 120.111 119.800 0.139 0.000 2.061 371 Q HA -0.158 4.183 4.340 0.001 0.000 0.204 371 Q C 2.424 178.520 176.000 0.160 0.000 0.984 371 Q CA 1.809 57.739 55.803 0.212 0.000 0.846 371 Q CB -0.152 28.713 28.738 0.211 0.000 0.902 371 Q HN 0.532 nan 8.270 nan 0.000 0.421 372 A N 0.692 123.553 122.820 0.068 0.000 1.877 372 A HA -0.155 4.165 4.320 0.001 0.000 0.216 372 A C 2.055 179.634 177.584 -0.008 0.000 1.186 372 A CA 1.335 53.401 52.037 0.049 0.000 0.620 372 A CB -0.754 18.247 19.000 0.001 0.000 0.822 372 A HN 0.462 nan 8.150 nan 0.000 0.443 373 L N -0.715 120.438 121.223 -0.116 0.000 2.201 373 L HA -0.134 4.207 4.340 0.001 0.000 0.212 373 L C 2.634 179.377 176.870 -0.212 0.000 1.105 373 L CA 1.587 56.309 54.840 -0.197 0.000 0.775 373 L CB -0.830 41.041 42.059 -0.313 0.000 0.913 373 L HN 0.352 nan 8.230 nan 0.000 0.440 374 T N -1.530 112.830 114.554 -0.323 0.000 2.851 374 T HA -0.115 4.236 4.350 0.001 0.000 0.262 374 T C 1.317 175.715 174.700 -0.503 0.000 1.043 374 T CA 1.355 63.146 62.100 -0.515 0.000 1.140 374 T CB -0.118 68.257 68.868 -0.821 0.000 0.872 374 T HN 0.265 nan 8.240 nan 0.000 0.446 375 Y N 0.083 120.386 120.300 0.005 0.000 2.430 375 Y HA 0.410 4.961 4.550 0.001 0.000 0.248 375 Y C 1.846 177.801 175.900 0.092 0.000 1.108 375 Y CA -0.254 57.876 58.100 0.051 0.000 1.264 375 Y CB 0.462 38.956 38.460 0.058 0.000 1.172 375 Y HN -0.067 nan 8.280 nan 0.000 0.520 376 R N -1.427 119.211 120.500 0.231 0.000 2.600 376 R HA 0.136 4.477 4.340 0.001 0.000 0.392 376 R C 0.514 176.993 176.300 0.298 0.000 1.032 376 R CA 0.082 56.329 56.100 0.245 0.000 1.139 376 R CB 0.123 30.549 30.300 0.208 0.000 1.400 376 R HN 0.269 nan 8.270 nan 0.000 0.566 377 H N 0.353 119.522 119.070 0.165 0.000 2.361 377 H HA 0.210 4.767 4.556 0.001 0.000 0.308 377 H C 0.344 175.899 175.328 0.378 0.000 1.053 377 H CA 0.581 56.773 56.048 0.240 0.000 1.377 377 H CB 0.451 30.233 29.762 0.033 0.000 1.434 377 H HN -0.066 nan 8.280 nan 0.000 0.548 378 N N 1.453 120.261 118.700 0.180 0.000 2.407 378 N HA 0.071 4.812 4.740 0.001 0.000 0.250 378 N C -0.645 174.852 175.510 -0.021 0.000 1.236 378 N CA 0.469 53.550 53.050 0.052 0.000 0.879 378 N CB 0.840 39.367 38.487 0.067 0.000 1.088 378 N HN 0.303 nan 8.380 nan 0.000 0.450 379 L N 1.767 122.912 121.223 -0.131 0.000 2.283 379 L HA 0.560 4.901 4.340 0.001 0.000 0.259 379 L C -2.037 174.736 176.870 -0.162 0.000 1.027 379 L CA -1.994 52.720 54.840 -0.210 0.000 0.828 379 L CB 1.611 43.419 42.059 -0.418 0.000 1.380 379 L HN 0.277 nan 8.230 nan 0.000 0.425 380 P HA 0.071 nan 4.420 nan 0.000 0.271 380 P C -0.901 176.295 177.300 -0.174 0.000 1.233 380 P CA -0.374 62.642 63.100 -0.139 0.000 0.789 380 P CB 0.370 31.998 31.700 -0.120 0.000 0.951 381 E N 0.790 120.857 120.200 -0.223 0.000 2.418 381 E HA -0.064 4.287 4.350 0.001 0.000 0.261 381 E C 0.048 176.430 176.600 -0.362 0.000 1.070 381 E CA 0.181 56.336 56.400 -0.408 0.000 0.931 381 E CB -0.105 29.203 29.700 -0.654 0.000 0.954 381 E HN 0.530 nan 8.360 nan 0.000 0.439 382 H N -1.395 117.650 119.070 -0.042 0.000 2.992 382 H HA -0.159 4.398 4.556 0.001 0.000 0.266 382 H C -0.135 175.163 175.328 -0.049 0.000 1.200 382 H CA 1.291 57.324 56.048 -0.024 0.000 1.135 382 H CB -2.509 27.253 29.762 -0.000 0.000 1.282 382 H HN 0.629 nan 8.280 nan 0.000 0.351 383 T N -2.812 111.719 114.554 -0.037 0.000 2.896 383 T HA 0.929 5.280 4.350 0.001 0.000 0.297 383 T C -0.247 174.346 174.700 -0.179 0.000 1.108 383 T CA -0.291 61.746 62.100 -0.105 0.000 1.004 383 T CB 3.395 72.167 68.868 -0.161 0.000 1.159 383 T HN 0.788 nan 8.240 nan 0.000 0.499 384 A N 0.346 123.038 122.820 -0.214 0.000 2.606 384 A HA 0.713 5.034 4.320 0.001 0.000 0.293 384 A C -1.796 175.661 177.584 -0.212 0.000 1.082 384 A CA -1.269 50.637 52.037 -0.217 0.000 0.685 384 A CB 0.894 19.811 19.000 -0.138 0.000 1.284 384 A HN 0.856 nan 8.150 nan 0.000 0.408 385 W N 0.070 121.313 121.300 -0.094 0.000 2.283 385 W HA 0.533 5.194 4.660 0.001 0.000 0.341 385 W C -0.191 176.288 176.519 -0.067 0.000 1.206 385 W CA -0.462 56.849 57.345 -0.057 0.000 1.294 385 W CB 1.523 30.953 29.460 -0.050 0.000 1.154 385 W HN 0.397 nan 8.180 nan 0.000 0.613 386 V N 4.003 124.082 119.914 0.275 0.000 2.293 386 V HA 0.177 4.298 4.120 0.001 0.000 0.275 386 V C -0.398 175.819 176.094 0.206 0.000 1.021 386 V CA -1.042 61.283 62.300 0.043 0.000 0.815 386 V CB 0.138 31.808 31.823 -0.254 0.000 1.025 386 V HN 0.411 nan 8.190 nan 0.000 0.448 387 N N 5.133 123.947 118.700 0.191 0.000 2.444 387 N HA 0.485 5.226 4.740 0.001 0.000 0.271 387 N C -0.779 174.914 175.510 0.304 0.000 1.069 387 N CA -0.152 53.030 53.050 0.220 0.000 0.965 387 N CB 1.699 40.253 38.487 0.111 0.000 1.092 387 N HN 0.695 nan 8.380 nan 0.000 0.476 388 Y N -1.931 118.403 120.300 0.057 0.000 2.638 388 Y HA 0.570 5.121 4.550 0.001 0.000 0.339 388 Y C 0.165 176.061 175.900 -0.007 0.000 1.084 388 Y CA -1.170 56.979 58.100 0.081 0.000 1.068 388 Y CB 0.301 38.874 38.460 0.189 0.000 1.294 388 Y HN 0.047 nan 8.280 nan 0.000 0.480 389 V N 0.171 120.056 119.914 -0.049 0.000 2.908 389 V HA 0.387 4.508 4.120 0.001 0.000 0.240 389 V C 0.404 176.570 176.094 0.120 0.000 1.117 389 V CA 0.561 62.739 62.300 -0.205 0.000 1.133 389 V CB -0.079 31.344 31.823 -0.667 0.000 0.857 389 V HN 0.723 nan 8.190 nan 0.000 0.478 390 R N -0.245 120.382 120.500 0.211 0.000 2.781 390 R HA 0.701 5.041 4.340 0.001 0.000 0.269 390 R C -0.705 175.693 176.300 0.162 0.000 1.025 390 R CA 0.177 56.323 56.100 0.076 0.000 0.914 390 R CB 2.063 32.297 30.300 -0.109 0.000 1.236 390 R HN 0.408 nan 8.270 nan 0.000 0.465 391 S N -1.037 114.564 115.700 -0.164 0.000 2.840 391 S HA 0.289 4.760 4.470 0.001 0.000 0.307 391 S C 0.787 175.207 174.600 -0.300 0.000 1.180 391 S CA -0.618 57.573 58.200 -0.014 0.000 0.846 391 S CB 0.906 64.114 63.200 0.013 0.000 1.233 391 S HN 0.792 nan 8.310 nan 0.000 0.548 392 H N -0.167 118.966 119.070 0.105 0.000 2.546 392 H HA 0.257 4.813 4.556 0.001 0.000 0.277 392 H C -0.555 174.827 175.328 0.090 0.000 1.004 392 H CA 0.554 56.746 56.048 0.241 0.000 1.231 392 H CB -0.483 29.482 29.762 0.339 0.000 1.382 392 H HN 0.437 nan 8.280 nan 0.000 0.580 393 D N 1.957 121.984 120.400 -0.622 0.000 2.440 393 D HA 0.065 4.706 4.640 0.001 0.000 0.258 393 D C 0.394 176.403 176.300 -0.486 0.000 1.092 393 D CA -0.488 53.210 54.000 -0.502 0.000 1.016 393 D CB 1.317 41.770 40.800 -0.577 0.000 1.141 393 D HN 0.333 nan 8.370 nan 0.000 0.552 394 D N -0.245 119.896 120.400 -0.433 0.000 2.354 394 D HA 0.026 4.667 4.640 0.001 0.000 0.238 394 D C 0.189 176.231 176.300 -0.429 0.000 1.250 394 D CA -0.008 53.748 54.000 -0.407 0.000 0.911 394 D CB 0.882 41.511 40.800 -0.285 0.000 1.163 394 D HN 0.250 nan 8.370 nan 0.000 0.456 395 I N -0.001 120.257 120.570 -0.520 0.000 2.315 395 I HA 0.339 4.509 4.170 0.001 0.000 0.291 395 I C 0.806 176.448 176.117 -0.792 0.000 1.006 395 I CA -0.489 60.393 61.300 -0.697 0.000 1.265 395 I CB 1.554 38.954 38.000 -1.000 0.000 1.387 395 I HN 0.390 nan 8.210 nan 0.000 0.475 396 G N 4.979 113.395 108.800 -0.640 0.000 2.416 396 G HA2 0.389 4.349 3.960 0.001 0.000 0.329 396 G HA3 0.389 4.349 3.960 0.001 0.000 0.329 396 G C -1.194 173.359 174.900 -0.578 0.000 1.173 396 G CA -0.521 44.245 45.100 -0.555 0.000 0.929 396 G HN 0.679 nan 8.290 nan 0.000 0.475 397 W N 2.262 123.544 121.300 -0.031 0.000 1.518 397 W HA 0.277 4.937 4.660 0.001 0.000 0.426 397 W C 1.264 177.668 176.519 -0.192 0.000 0.675 397 W CA -0.733 56.608 57.345 -0.006 0.000 1.936 397 W CB 0.194 29.692 29.460 0.065 0.000 1.749 397 W HN 0.556 nan 8.180 nan 0.000 0.247 398 T N -1.408 113.149 114.554 0.004 0.000 3.535 398 T HA 0.101 4.452 4.350 0.001 0.000 0.238 398 T C 0.096 174.752 174.700 -0.073 0.000 0.909 398 T CA -0.617 61.431 62.100 -0.086 0.000 0.928 398 T CB -1.423 67.424 68.868 -0.035 0.000 1.134 398 T HN 0.157 nan 8.240 nan 0.000 0.627 399 F N 0.079 120.068 119.950 0.066 0.000 2.378 399 F HA 0.776 5.303 4.527 0.001 0.000 0.319 399 F C 0.317 176.069 175.800 -0.081 0.000 1.155 399 F CA -2.348 55.655 58.000 0.005 0.000 1.157 399 F CB 0.195 39.234 39.000 0.066 0.000 1.252 399 F HN 0.156 nan 8.300 nan 0.000 0.550 400 A N 1.673 124.570 122.820 0.128 0.000 2.320 400 A HA 0.278 4.599 4.320 0.001 0.000 0.287 400 A C 0.743 178.450 177.584 0.205 0.000 1.181 400 A CA -0.552 51.458 52.037 -0.044 0.000 0.831 400 A CB -0.158 18.776 19.000 -0.110 0.000 1.102 400 A HN 0.832 nan 8.150 nan 0.000 0.513 401 D N 2.017 122.508 120.400 0.152 0.000 2.149 401 D HA -0.153 4.488 4.640 0.001 0.000 0.198 401 D C 1.538 177.874 176.300 0.059 0.000 0.990 401 D CA 1.969 56.073 54.000 0.174 0.000 0.839 401 D CB 0.031 40.904 40.800 0.123 0.000 0.948 401 D HN 0.777 nan 8.370 nan 0.000 0.460 402 E N 0.615 120.822 120.200 0.011 0.000 2.077 402 E HA -0.135 4.215 4.350 0.001 0.000 0.193 402 E C 1.647 177.996 176.600 -0.419 0.000 0.989 402 E CA 1.080 57.360 56.400 -0.200 0.000 0.800 402 E CB -0.108 29.511 29.700 -0.135 0.000 0.746 402 E HN 0.256 nan 8.360 nan 0.000 0.452 403 D N 0.246 120.551 120.400 -0.158 0.000 2.097 403 D HA -0.105 4.536 4.640 0.001 0.000 0.195 403 D C 1.897 178.171 176.300 -0.043 0.000 0.989 403 D CA 1.583 55.545 54.000 -0.063 0.000 0.827 403 D CB -0.494 40.354 40.800 0.080 0.000 0.966 403 D HN 0.211 nan 8.370 nan 0.000 0.456 404 A N 0.948 123.763 122.820 -0.010 0.000 1.940 404 A HA -0.079 4.241 4.320 0.001 0.000 0.219 404 A C 2.286 179.835 177.584 -0.059 0.000 1.176 404 A CA 2.250 54.250 52.037 -0.060 0.000 0.631 404 A CB -0.768 18.223 19.000 -0.015 0.000 0.814 404 A HN 0.235 nan 8.150 nan 0.000 0.446 405 A N -1.219 121.550 122.820 -0.085 0.000 1.902 405 A HA -0.148 4.173 4.320 0.001 0.000 0.217 405 A C 2.067 179.648 177.584 -0.006 0.000 1.181 405 A CA 1.460 53.450 52.037 -0.077 0.000 0.623 405 A CB -0.931 17.988 19.000 -0.135 0.000 0.818 405 A HN 0.681 nan 8.150 nan 0.000 0.443 406 Y N -0.191 120.101 120.300 -0.012 0.000 2.256 406 Y HA -0.143 4.408 4.550 0.001 0.000 0.288 406 Y C 1.719 177.598 175.900 -0.035 0.000 1.155 406 Y CA 0.728 58.812 58.100 -0.027 0.000 1.203 406 Y CB -0.179 38.257 38.460 -0.041 0.000 0.980 406 Y HN 0.190 nan 8.280 nan 0.000 0.530 407 L N -0.725 120.562 121.223 0.106 0.000 2.611 407 L HA 0.235 4.576 4.340 0.001 0.000 0.229 407 L C 1.413 178.270 176.870 -0.022 0.000 1.137 407 L CA 0.495 55.347 54.840 0.020 0.000 0.901 407 L CB -0.365 41.675 42.059 -0.030 0.000 1.098 407 L HN 0.397 nan 8.230 nan 0.000 0.456 408 G N 1.312 110.109 108.800 -0.005 0.000 2.147 408 G HA2 -0.276 3.685 3.960 0.001 0.000 0.244 408 G HA3 -0.276 3.685 3.960 0.001 0.000 0.244 408 G C 0.062 174.932 174.900 -0.050 0.000 1.005 408 G CA -0.061 45.027 45.100 -0.020 0.000 0.713 408 G HN 0.342 nan 8.290 nan 0.000 0.515 409 I N 0.943 121.466 120.570 -0.078 0.000 2.404 409 I HA 0.425 4.596 4.170 0.001 0.000 0.293 409 I C 0.616 176.711 176.117 -0.037 0.000 0.992 409 I CA -0.690 60.536 61.300 -0.123 0.000 1.149 409 I CB 1.985 39.800 38.000 -0.307 0.000 1.315 409 I HN 0.140 nan 8.210 nan 0.000 0.446 410 S N 4.406 120.121 115.700 0.024 0.000 2.416 410 S HA 0.250 4.721 4.470 0.001 0.000 0.287 410 S C 1.288 176.014 174.600 0.210 0.000 1.139 410 S CA -0.190 58.076 58.200 0.111 0.000 1.058 410 S CB 0.881 64.156 63.200 0.124 0.000 0.967 410 S HN 0.858 nan 8.310 nan 0.000 0.495 411 G N 4.226 113.189 108.800 0.271 0.000 2.529 411 G HA2 -0.277 3.684 3.960 0.001 0.000 0.219 411 G HA3 -0.277 3.684 3.960 0.001 0.000 0.219 411 G C 1.061 176.183 174.900 0.371 0.000 1.177 411 G CA 1.283 46.647 45.100 0.440 0.000 0.773 411 G HN 0.843 nan 8.290 nan 0.000 0.573 412 Y N 1.880 122.287 120.300 0.177 0.000 2.097 412 Y HA -0.177 4.374 4.550 0.001 0.000 0.282 412 Y C 2.652 178.649 175.900 0.163 0.000 1.152 412 Y CA 2.304 60.490 58.100 0.144 0.000 1.136 412 Y CB -0.177 38.343 38.460 0.100 0.000 0.975 412 Y HN 0.215 nan 8.280 nan 0.000 0.498 413 D N -1.285 119.297 120.400 0.304 0.000 2.149 413 D HA -0.211 4.430 4.640 0.001 0.000 0.198 413 D C 1.966 178.354 176.300 0.147 0.000 0.990 413 D CA 1.907 56.029 54.000 0.202 0.000 0.839 413 D CB -0.585 40.338 40.800 0.205 0.000 0.948 413 D HN 0.500 nan 8.370 nan 0.000 0.460 414 H N 0.755 119.880 119.070 0.092 0.000 2.389 414 H HA 0.099 4.655 4.556 0.001 0.000 0.299 414 H C 1.955 177.315 175.328 0.054 0.000 1.081 414 H CA 1.312 57.410 56.048 0.083 0.000 1.345 414 H CB 0.241 30.041 29.762 0.063 0.000 1.393 414 H HN -0.026 nan 8.280 nan 0.000 0.520 415 R N -0.235 120.308 120.500 0.072 0.000 2.092 415 R HA -0.098 4.243 4.340 0.001 0.000 0.231 415 R C 2.191 178.374 176.300 -0.195 0.000 1.119 415 R CA 1.132 57.164 56.100 -0.112 0.000 0.970 415 R CB 0.046 30.356 30.300 0.016 0.000 0.864 415 R HN 0.436 nan 8.270 nan 0.000 0.440 416 Q N 0.234 119.931 119.800 -0.172 0.000 2.096 416 Q HA -0.189 4.152 4.340 0.001 0.000 0.204 416 Q C 1.931 177.871 176.000 -0.100 0.000 0.982 416 Q CA 1.412 57.138 55.803 -0.128 0.000 0.850 416 Q CB -0.534 28.139 28.738 -0.108 0.000 0.901 416 Q HN 0.318 nan 8.270 nan 0.000 0.422 417 F N 1.451 121.256 119.950 -0.241 0.000 2.075 417 F HA -0.159 4.369 4.527 0.001 0.000 0.297 417 F C 2.042 177.603 175.800 -0.398 0.000 1.113 417 F CA 1.124 58.925 58.000 -0.333 0.000 1.218 417 F CB -0.543 38.193 39.000 -0.440 0.000 0.984 417 F HN -0.038 nan 8.300 nan 0.000 0.472 418 L N 0.469 121.136 121.223 -0.926 0.000 2.013 418 L HA -0.310 4.030 4.340 0.001 0.000 0.212 418 L C 2.226 178.825 176.870 -0.452 0.000 1.073 418 L CA 2.191 56.414 54.840 -1.028 0.000 0.753 418 L CB -1.120 40.074 42.059 -1.441 0.000 0.890 418 L HN 0.284 nan 8.230 nan 0.000 0.432 419 N N -0.516 118.047 118.700 -0.230 0.000 2.069 419 N HA -0.183 4.557 4.740 0.001 0.000 0.191 419 N C 1.950 177.469 175.510 0.015 0.000 1.031 419 N CA 1.148 54.264 53.050 0.110 0.000 0.852 419 N CB -0.055 38.519 38.487 0.145 0.000 1.018 419 N HN 0.233 nan 8.380 nan 0.000 0.423 420 R N -0.055 120.381 120.500 -0.106 0.000 2.083 420 R HA -0.143 4.197 4.340 0.001 0.000 0.237 420 R C 2.019 178.242 176.300 -0.128 0.000 1.137 420 R CA 1.277 57.334 56.100 -0.071 0.000 0.951 420 R CB -0.506 29.791 30.300 -0.005 0.000 0.851 420 R HN 0.262 nan 8.270 nan 0.000 0.434 421 F N 0.524 120.142 119.950 -0.553 0.000 2.069 421 F HA -0.204 4.324 4.527 0.001 0.000 0.298 421 F C 1.634 177.103 175.800 -0.553 0.000 1.113 421 F CA 1.546 59.130 58.000 -0.693 0.000 1.214 421 F CB -0.203 37.983 39.000 -1.357 0.000 0.978 421 F HN -0.123 nan 8.300 nan 0.000 0.474 422 F N -0.170 119.739 119.950 -0.069 0.000 2.699 422 F HA 0.001 4.529 4.527 0.001 0.000 0.298 422 F C 1.796 177.548 175.800 -0.080 0.000 1.154 422 F CA 0.860 58.835 58.000 -0.042 0.000 1.457 422 F CB -0.540 38.544 39.000 0.140 0.000 1.106 422 F HN -0.032 nan 8.300 nan 0.000 0.585 423 V N -2.865 117.073 119.914 0.041 0.000 3.271 423 V HA 0.300 4.421 4.120 0.001 0.000 0.327 423 V C 0.646 176.718 176.094 -0.036 0.000 1.389 423 V CA -0.072 62.249 62.300 0.035 0.000 1.156 423 V CB -0.961 30.900 31.823 0.064 0.000 1.103 423 V HN 0.386 nan 8.190 nan 0.000 0.453 424 N N 2.066 120.680 118.700 -0.143 0.000 2.738 424 N HA -0.200 4.540 4.740 0.001 0.000 0.249 424 N C 0.285 175.742 175.510 -0.089 0.000 1.047 424 N CA 0.773 53.724 53.050 -0.165 0.000 0.707 424 N CB -0.644 37.783 38.487 -0.099 0.000 0.937 424 N HN 0.587 nan 8.380 nan 0.000 0.545 425 R N 0.319 120.783 120.500 -0.059 0.000 2.700 425 R HA 0.321 4.662 4.340 0.001 0.000 0.399 425 R C -0.769 175.582 176.300 0.085 0.000 1.115 425 R CA -0.185 55.914 56.100 -0.001 0.000 1.058 425 R CB -0.517 29.787 30.300 0.006 0.000 1.389 425 R HN 0.314 nan 8.270 nan 0.000 0.582 426 F N 0.399 120.271 119.950 -0.129 0.000 2.573 426 F HA 0.228 4.756 4.527 0.001 0.000 0.316 426 F C -0.487 175.275 175.800 -0.064 0.000 1.148 426 F CA -1.730 56.236 58.000 -0.057 0.000 0.940 426 F CB 1.509 40.501 39.000 -0.014 0.000 1.214 426 F HN 0.004 nan 8.300 nan 0.000 0.448 427 D N 3.999 124.056 120.400 -0.572 0.000 2.586 427 D HA 0.347 4.988 4.640 0.001 0.000 0.234 427 D C 1.194 177.385 176.300 -0.182 0.000 1.132 427 D CA 2.503 56.286 54.000 -0.361 0.000 0.860 427 D CB 0.600 41.167 40.800 -0.388 0.000 1.159 427 D HN 1.054 nan 8.370 nan 0.000 0.490 428 G N 2.605 111.369 108.800 -0.059 0.000 2.205 428 G HA2 -0.319 3.641 3.960 0.001 0.000 0.261 428 G HA3 -0.319 3.641 3.960 0.001 0.000 0.261 428 G C 0.530 175.456 174.900 0.044 0.000 0.980 428 G CA 0.375 45.502 45.100 0.044 0.000 0.632 428 G HN 0.872 nan 8.290 nan 0.000 0.533 429 S N 0.327 115.954 115.700 -0.122 0.000 2.552 429 S HA 0.372 4.843 4.470 0.001 0.000 0.289 429 S C 1.359 175.712 174.600 -0.412 0.000 1.304 429 S CA 0.653 58.468 58.200 -0.641 0.000 1.063 429 S CB -0.006 62.541 63.200 -1.088 0.000 0.848 429 S HN 1.175 nan 8.310 nan 0.000 0.499 430 F N 2.641 122.457 119.950 -0.224 0.000 2.749 430 F HA 0.589 5.117 4.527 0.001 0.000 0.300 430 F C 0.747 176.515 175.800 -0.053 0.000 1.103 430 F CA -0.571 57.405 58.000 -0.040 0.000 1.342 430 F CB -0.882 38.181 39.000 0.105 0.000 1.098 430 F HN 0.543 nan 8.300 nan 0.000 0.586 431 A N 1.556 124.200 122.820 -0.293 0.000 2.340 431 A HA 0.667 4.988 4.320 0.001 0.000 0.268 431 A C 0.562 178.130 177.584 -0.026 0.000 1.100 431 A CA -0.652 51.373 52.037 -0.021 0.000 0.803 431 A CB 0.415 19.344 19.000 -0.118 0.000 1.043 431 A HN 0.321 nan 8.150 nan 0.000 0.488 432 R N 1.940 122.494 120.500 0.090 0.000 2.782 432 R HA 0.242 4.583 4.340 0.001 0.000 0.293 432 R C 0.390 176.743 176.300 0.088 0.000 1.333 432 R CA 0.090 56.231 56.100 0.069 0.000 1.479 432 R CB 0.600 30.952 30.300 0.087 0.000 1.306 432 R HN 0.835 nan 8.270 nan 0.000 0.654 433 G N -0.186 108.667 108.800 0.088 0.000 2.557 433 G HA2 0.490 4.450 3.960 0.001 0.000 0.292 433 G HA3 0.490 4.450 3.960 0.001 0.000 0.292 433 G C -0.550 174.405 174.900 0.091 0.000 1.237 433 G CA -0.231 44.917 45.100 0.080 0.000 0.978 433 G HN 0.026 nan 8.290 nan 0.000 0.498 434 V N 0.623 120.589 119.914 0.088 0.000 2.823 434 V HA 0.397 4.518 4.120 0.001 0.000 0.312 434 V C -2.268 173.907 176.094 0.134 0.000 1.072 434 V CA -1.502 60.873 62.300 0.126 0.000 0.937 434 V CB 2.345 34.266 31.823 0.162 0.000 1.013 434 V HN 0.542 nan 8.190 nan 0.000 0.430 435 P HA 0.284 nan 4.420 nan 0.000 0.272 435 P C -1.252 176.208 177.300 0.266 0.000 1.223 435 P CA 0.044 63.254 63.100 0.184 0.000 0.784 435 P CB 0.282 32.070 31.700 0.147 0.000 0.923 436 F N 2.285 122.278 119.950 0.072 0.000 2.653 436 F HA 0.225 4.753 4.527 0.001 0.000 0.327 436 F C -0.591 175.265 175.800 0.093 0.000 1.195 436 F CA -0.346 57.686 58.000 0.054 0.000 0.993 436 F CB 1.108 40.103 39.000 -0.008 0.000 1.259 436 F HN 0.230 nan 8.300 nan 0.000 0.478 437 Q N 4.139 123.639 119.800 -0.501 0.000 2.460 437 Q HA -0.298 4.043 4.340 0.001 0.000 0.311 437 Q C -1.157 174.788 176.000 -0.091 0.000 1.396 437 Q CA 0.693 56.272 55.803 -0.373 0.000 0.838 437 Q CB -2.180 26.245 28.738 -0.522 0.000 1.140 437 Q HN 0.737 nan 8.270 nan 0.000 0.415 438 Y N 1.531 121.789 120.300 -0.069 0.000 2.569 438 Y HA 0.219 4.770 4.550 0.001 0.000 0.332 438 Y C 0.283 176.175 175.900 -0.014 0.000 1.120 438 Y CA -0.569 57.525 58.100 -0.009 0.000 1.416 438 Y CB 0.483 38.956 38.460 0.022 0.000 1.210 438 Y HN 0.162 nan 8.280 nan 0.000 0.528 439 N N 8.878 127.191 118.700 -0.646 0.000 2.485 439 N HA 0.250 4.991 4.740 0.001 0.000 0.243 439 N C -2.203 172.844 175.510 -0.772 0.000 0.987 439 N CA -2.254 50.477 53.050 -0.531 0.000 0.940 439 N CB 1.627 39.955 38.487 -0.266 0.000 1.122 439 N HN 0.407 nan 8.380 nan 0.000 0.509 440 P HA -0.125 nan 4.420 nan 0.000 0.218 440 P C 1.159 178.372 177.300 -0.146 0.000 1.148 440 P CA 1.248 64.143 63.100 -0.341 0.000 0.822 440 P CB 0.269 31.919 31.700 -0.082 0.000 0.784 441 S N -2.258 113.365 115.700 -0.129 0.000 2.522 441 S HA -0.029 4.442 4.470 0.001 0.000 0.227 441 S C 1.556 176.131 174.600 -0.041 0.000 0.986 441 S CA 1.387 59.550 58.200 -0.061 0.000 0.929 441 S CB -1.295 61.874 63.200 -0.053 0.000 0.769 441 S HN 0.285 nan 8.310 nan 0.000 0.529 442 T N -4.693 109.826 114.554 -0.058 0.000 2.966 442 T HA 0.533 4.884 4.350 0.001 0.000 0.254 442 T C 1.587 176.367 174.700 0.133 0.000 0.961 442 T CA 0.767 62.880 62.100 0.021 0.000 0.915 442 T CB 0.038 68.910 68.868 0.006 0.000 1.186 442 T HN 1.174 nan 8.240 nan 0.000 0.505 443 G N 1.542 110.369 108.800 0.046 0.000 2.176 443 G HA2 -0.214 3.746 3.960 0.001 0.000 0.253 443 G HA3 -0.214 3.746 3.960 0.001 0.000 0.253 443 G C -0.218 174.765 174.900 0.138 0.000 0.979 443 G CA 0.161 45.384 45.100 0.204 0.000 0.641 443 G HN 0.860 nan 8.290 nan 0.000 0.530 444 D N -0.433 119.994 120.400 0.045 0.000 2.341 444 D HA 0.594 5.235 4.640 0.001 0.000 0.245 444 D C 0.256 176.612 176.300 0.093 0.000 1.106 444 D CA 0.563 54.598 54.000 0.058 0.000 0.905 444 D CB 1.076 41.891 40.800 0.025 0.000 1.202 444 D HN 0.582 nan 8.370 nan 0.000 0.426 445 C N 2.602 121.997 119.300 0.158 0.000 3.284 445 C HA 0.678 5.139 4.460 0.001 0.000 0.338 445 C C -1.195 173.902 174.990 0.179 0.000 1.237 445 C CA -0.589 58.550 59.018 0.201 0.000 1.276 445 C CB 0.802 28.735 27.740 0.321 0.000 1.601 445 C HN 0.828 nan 8.230 nan 0.000 0.494 446 R N 1.529 122.120 120.500 0.151 0.000 2.939 446 R HA 0.903 5.243 4.340 0.001 0.000 0.254 446 R C -1.362 175.002 176.300 0.106 0.000 1.123 446 R CA -0.537 55.603 56.100 0.068 0.000 1.020 446 R CB 1.621 31.991 30.300 0.117 0.000 1.206 446 R HN 0.500 nan 8.270 nan 0.000 0.491 447 V N 0.559 120.428 119.914 -0.074 0.000 2.540 447 V HA 0.498 4.618 4.120 0.001 0.000 0.302 447 V C -0.631 175.363 176.094 -0.166 0.000 1.035 447 V CA -0.672 61.592 62.300 -0.061 0.000 0.873 447 V CB 2.003 33.779 31.823 -0.079 0.000 0.992 447 V HN 0.729 nan 8.190 nan 0.000 0.428 448 S N 1.961 117.618 115.700 -0.072 0.000 2.578 448 S HA 0.974 5.445 4.470 0.001 0.000 0.301 448 S C 0.154 174.746 174.600 -0.012 0.000 1.091 448 S CA -0.051 58.123 58.200 -0.042 0.000 1.032 448 S CB 1.820 64.923 63.200 -0.161 0.000 1.064 448 S HN 1.536 nan 8.310 nan 0.000 0.508 449 G N 1.127 110.006 108.800 0.131 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 -0.511 174.338 174.900 -0.084 0.000 1.523 449 G CA -0.480 44.629 45.100 0.015 0.000 0.972 449 G HN 0.881 nan 8.290 nan 0.000 0.667 450 T N -0.553 114.016 114.554 0.026 0.000 2.828 450 T HA 0.643 4.994 4.350 0.001 0.000 0.290 450 T C 1.963 176.694 174.700 0.052 0.000 1.019 450 T CA 0.806 62.931 62.100 0.040 0.000 1.031 450 T CB 1.533 70.503 68.868 0.170 0.000 1.001 450 T HN 2.127 nan 8.240 nan 0.000 0.531 451 A N 1.575 124.489 122.820 0.158 0.000 1.892 451 A HA 0.034 4.355 4.320 0.001 0.000 0.218 451 A C 2.676 180.472 177.584 0.353 0.000 1.188 451 A CA 2.275 54.530 52.037 0.364 0.000 0.631 451 A CB -1.627 17.646 19.000 0.454 0.000 0.822 451 A HN 1.314 nan 8.150 nan 0.000 0.447 452 A N -0.462 122.513 122.820 0.259 0.000 1.933 452 A HA 0.181 4.502 4.320 0.001 0.000 0.218 452 A C 2.493 180.194 177.584 0.195 0.000 1.175 452 A CA 2.080 54.243 52.037 0.209 0.000 0.628 452 A CB -0.959 18.140 19.000 0.165 0.000 0.814 452 A HN 1.126 nan 8.150 nan 0.000 0.444 453 A N -0.401 122.523 122.820 0.173 0.000 1.930 453 A HA 0.040 4.361 4.320 0.001 0.000 0.217 453 A C 2.065 179.767 177.584 0.198 0.000 1.175 453 A CA 1.362 53.492 52.037 0.156 0.000 0.627 453 A CB -0.492 18.581 19.000 0.122 0.000 0.815 453 A HN 0.468 nan 8.150 nan 0.000 0.443 454 L N -0.070 121.282 121.223 0.215 0.000 2.313 454 L HA -0.055 4.286 4.340 0.001 0.000 0.214 454 L C 2.075 179.347 176.870 0.670 0.000 1.119 454 L CA 0.915 55.958 54.840 0.337 0.000 0.809 454 L CB -0.129 41.901 42.059 -0.049 0.000 0.933 454 L HN 0.419 nan 8.230 nan 0.000 0.449 455 V N -4.032 116.202 119.914 0.532 0.000 3.647 455 V HA 0.463 4.583 4.120 0.001 0.000 0.279 455 V C 1.270 177.495 176.094 0.218 0.000 1.314 455 V CA 0.451 62.983 62.300 0.388 0.000 1.125 455 V CB -0.150 31.774 31.823 0.167 0.000 0.907 455 V HN 0.441 nan 8.190 nan 0.000 0.434 456 G N 0.655 109.632 108.800 0.296 0.000 2.134 456 G HA2 -0.239 3.722 3.960 0.001 0.000 0.209 456 G HA3 -0.239 3.722 3.960 0.001 0.000 0.209 456 G C 0.324 175.298 174.900 0.123 0.000 0.993 456 G CA 0.311 45.541 45.100 0.217 0.000 0.669 456 G HN 0.539 nan 8.290 nan 0.000 0.519 457 L N 0.784 122.075 121.223 0.114 0.000 2.201 457 L HA 0.491 4.832 4.340 0.001 0.000 0.212 457 L C 2.848 179.763 176.870 0.076 0.000 1.105 457 L CA 2.816 57.704 54.840 0.080 0.000 0.775 457 L CB -0.593 41.516 42.059 0.083 0.000 0.913 457 L HN 0.633 nan 8.230 nan 0.000 0.440 458 A N -0.478 122.397 122.820 0.092 0.000 1.933 458 A HA -0.202 4.119 4.320 0.001 0.000 0.218 458 A C 1.959 179.582 177.584 0.064 0.000 1.175 458 A CA 1.678 53.763 52.037 0.080 0.000 0.628 458 A CB -0.508 18.546 19.000 0.090 0.000 0.814 458 A HN 0.672 nan 8.150 nan 0.000 0.444 459 Q N -1.151 118.690 119.800 0.068 0.000 2.246 459 Q HA 0.070 4.411 4.340 0.001 0.000 0.202 459 Q C -0.978 175.049 176.000 0.045 0.000 0.883 459 Q CA 0.648 56.485 55.803 0.055 0.000 0.952 459 Q CB -0.192 28.582 28.738 0.061 0.000 1.078 459 Q HN 0.563 nan 8.270 nan 0.000 0.493 460 D N 1.727 122.153 120.400 0.042 0.000 2.800 460 D HA -0.146 4.494 4.640 0.001 0.000 0.232 460 D C -0.703 175.606 176.300 0.016 0.000 1.137 460 D CA 1.091 55.106 54.000 0.025 0.000 0.718 460 D CB -1.083 39.727 40.800 0.016 0.000 1.084 460 D HN 0.522 nan 8.370 nan 0.000 0.432 461 D N 1.142 121.561 120.400 0.031 0.000 2.472 461 D HA -0.014 4.626 4.640 0.001 0.000 0.248 461 D C -0.707 175.573 176.300 -0.034 0.000 1.174 461 D CA -0.994 53.020 54.000 0.022 0.000 0.883 461 D CB 1.118 41.954 40.800 0.060 0.000 1.149 461 D HN 0.102 nan 8.370 nan 0.000 0.488 462 P HA -0.160 nan 4.420 nan 0.000 0.222 462 P C 0.435 177.615 177.300 -0.199 0.000 1.142 462 P CA 1.297 64.295 63.100 -0.169 0.000 0.788 462 P CB 0.033 31.590 31.700 -0.239 0.000 0.767 463 H N -1.255 117.786 119.070 -0.048 0.000 2.575 463 H HA 0.325 4.882 4.556 0.001 0.000 0.267 463 H C 2.171 177.351 175.328 -0.247 0.000 0.966 463 H CA 0.353 56.337 56.048 -0.107 0.000 1.165 463 H CB 0.096 29.815 29.762 -0.071 0.000 1.433 463 H HN 0.066 nan 8.280 nan 0.000 0.544 464 A N 0.665 123.439 122.820 -0.078 0.000 1.859 464 A HA -0.205 4.116 4.320 0.001 0.000 0.217 464 A C 2.395 179.930 177.584 -0.081 0.000 1.198 464 A CA 2.029 54.009 52.037 -0.095 0.000 0.629 464 A CB -1.015 17.977 19.000 -0.015 0.000 0.830 464 A HN 0.244 nan 8.150 nan 0.000 0.446 465 V N 0.690 120.579 119.914 -0.042 0.000 2.332 465 V HA -0.265 3.856 4.120 0.001 0.000 0.248 465 V C 2.152 178.216 176.094 -0.049 0.000 1.055 465 V CA 2.368 64.654 62.300 -0.024 0.000 1.038 465 V CB -0.822 30.995 31.823 -0.010 0.000 0.651 465 V HN 0.543 nan 8.190 nan 0.000 0.450 466 D N -0.378 119.980 120.400 -0.069 0.000 2.144 466 D HA -0.120 4.521 4.640 0.001 0.000 0.200 466 D C 2.391 178.577 176.300 -0.189 0.000 0.978 466 D CA 0.967 54.921 54.000 -0.077 0.000 0.833 466 D CB -0.198 40.614 40.800 0.020 0.000 0.961 466 D HN 0.411 nan 8.370 nan 0.000 0.470 467 R N 0.309 120.590 120.500 -0.366 0.000 2.081 467 R HA -0.031 4.309 4.340 0.001 0.000 0.235 467 R C 2.547 178.703 176.300 -0.239 0.000 1.131 467 R CA 0.681 56.492 56.100 -0.482 0.000 0.960 467 R CB -0.197 29.742 30.300 -0.602 0.000 0.856 467 R HN 0.227 nan 8.270 nan 0.000 0.436 468 I N 1.112 121.619 120.570 -0.104 0.000 2.179 468 I HA -0.301 3.870 4.170 0.001 0.000 0.242 468 I C 2.018 178.183 176.117 0.080 0.000 1.088 468 I CA 1.498 62.821 61.300 0.038 0.000 1.357 468 I CB -0.250 37.823 38.000 0.122 0.000 1.051 468 I HN 0.143 nan 8.210 nan 0.000 0.409 469 K N 0.423 120.832 120.400 0.016 0.000 2.063 469 K HA -0.215 4.106 4.320 0.001 0.000 0.208 469 K C 2.092 178.686 176.600 -0.011 0.000 1.048 469 K CA 1.302 57.597 56.287 0.013 0.000 0.928 469 K CB -0.419 32.053 32.500 -0.046 0.000 0.713 469 K HN 0.150 nan 8.250 nan 0.000 0.442 470 L N 1.731 122.899 121.223 -0.092 0.000 1.994 470 L HA -0.155 4.186 4.340 0.001 0.000 0.208 470 L C 1.960 178.766 176.870 -0.106 0.000 1.071 470 L CA 1.556 56.310 54.840 -0.145 0.000 0.745 470 L CB -0.480 41.400 42.059 -0.299 0.000 0.892 470 L HN 0.130 nan 8.230 nan 0.000 0.431 471 L N -1.773 119.349 121.223 -0.170 0.000 1.989 471 L HA -0.285 4.056 4.340 0.001 0.000 0.211 471 L C 2.571 179.344 176.870 -0.161 0.000 1.071 471 L CA 1.695 56.396 54.840 -0.231 0.000 0.749 471 L CB -0.913 40.861 42.059 -0.474 0.000 0.890 471 L HN 0.259 nan 8.230 nan 0.000 0.431 472 Y N 0.464 120.752 120.300 -0.020 0.000 2.224 472 Y HA -0.263 4.288 4.550 0.001 0.000 0.289 472 Y C 3.118 179.081 175.900 0.106 0.000 1.146 472 Y CA 1.501 59.626 58.100 0.043 0.000 1.182 472 Y CB -0.613 37.873 38.460 0.042 0.000 0.983 472 Y HN 0.325 nan 8.280 nan 0.000 0.524 473 S N -0.226 115.625 115.700 0.252 0.000 2.383 473 S HA -0.215 4.256 4.470 0.001 0.000 0.229 473 S C 1.944 176.839 174.600 0.492 0.000 1.030 473 S CA 1.619 60.048 58.200 0.381 0.000 1.002 473 S CB -0.944 62.375 63.200 0.199 0.000 0.829 473 S HN 0.491 nan 8.310 nan 0.000 0.467 474 I N 1.926 122.689 120.570 0.320 0.000 2.353 474 I HA -0.034 4.137 4.170 0.001 0.000 0.248 474 I C 3.034 179.243 176.117 0.154 0.000 1.119 474 I CA 0.985 62.458 61.300 0.289 0.000 1.417 474 I CB -0.564 37.570 38.000 0.224 0.000 1.078 474 I HN 0.440 nan 8.210 nan 0.000 0.421 475 A N 0.688 123.574 122.820 0.109 0.000 1.969 475 A HA -0.080 4.240 4.320 0.001 0.000 0.218 475 A C 2.214 179.875 177.584 0.130 0.000 1.169 475 A CA 1.178 53.264 52.037 0.082 0.000 0.635 475 A CB -0.629 18.407 19.000 0.060 0.000 0.810 475 A HN 0.395 nan 8.150 nan 0.000 0.445 476 L N -0.057 121.280 121.223 0.189 0.000 2.395 476 L HA -0.039 4.302 4.340 0.001 0.000 0.218 476 L C 2.169 179.072 176.870 0.055 0.000 1.130 476 L CA 1.260 56.186 54.840 0.143 0.000 0.826 476 L CB 0.045 42.234 42.059 0.217 0.000 0.941 476 L HN 0.575 nan 8.230 nan 0.000 0.451 477 S N -3.693 112.078 115.700 0.119 0.000 2.687 477 S HA -0.014 4.457 4.470 0.001 0.000 0.247 477 S C 1.608 176.290 174.600 0.138 0.000 1.050 477 S CA 0.239 58.502 58.200 0.104 0.000 1.063 477 S CB -0.093 63.052 63.200 -0.091 0.000 1.039 477 S HN 0.331 nan 8.310 nan 0.000 0.580 478 T N -0.658 113.902 114.554 0.011 0.000 2.995 478 T HA 0.440 4.791 4.350 0.001 0.000 0.269 478 T C 1.243 175.915 174.700 -0.048 0.000 1.091 478 T CA 0.609 62.549 62.100 -0.266 0.000 1.128 478 T CB -0.665 67.918 68.868 -0.475 0.000 0.891 478 T HN 1.545 nan 8.240 nan 0.000 0.492 479 G N -0.579 108.297 108.800 0.127 0.000 3.435 479 G HA2 0.500 4.461 3.960 0.001 0.000 0.683 479 G HA3 0.500 4.461 3.960 0.001 0.000 0.683 479 G C -0.109 174.934 174.900 0.239 0.000 1.189 479 G CA -0.664 44.562 45.100 0.210 0.000 1.069 479 G HN 1.559 nan 8.290 nan 0.000 0.508 480 G N -0.245 108.632 108.800 0.128 0.000 2.369 480 G HA2 0.480 4.441 3.960 0.001 0.000 0.307 480 G HA3 0.480 4.441 3.960 0.001 0.000 0.307 480 G C -0.916 174.001 174.900 0.028 0.000 1.327 480 G CA -0.314 44.846 45.100 0.101 0.000 0.963 480 G HN 1.705 nan 8.290 nan 0.000 0.590 481 L N 2.656 123.862 121.223 -0.029 0.000 2.261 481 L HA 0.492 4.832 4.340 0.001 0.000 0.289 481 L C -1.673 175.133 176.870 -0.107 0.000 1.059 481 L CA -1.972 52.796 54.840 -0.120 0.000 0.816 481 L CB 1.367 43.283 42.059 -0.238 0.000 1.191 481 L HN 0.384 nan 8.230 nan 0.000 0.431 482 P HA 0.112 nan 4.420 nan 0.000 0.275 482 P C -1.230 176.050 177.300 -0.034 0.000 1.227 482 P CA -0.487 62.621 63.100 0.013 0.000 0.781 482 P CB 1.837 33.576 31.700 0.064 0.000 0.906 483 L N 4.725 125.992 121.223 0.074 0.000 2.349 483 L HA 0.468 4.809 4.340 0.001 0.000 0.278 483 L C -0.617 176.431 176.870 0.296 0.000 0.996 483 L CA -0.775 54.117 54.840 0.087 0.000 0.825 483 L CB 0.916 43.005 42.059 0.050 0.000 1.243 483 L HN 0.241 nan 8.230 nan 0.000 0.412 484 I N 4.942 125.662 120.570 0.251 0.000 2.342 484 I HA 0.151 4.322 4.170 0.001 0.000 0.291 484 I C -0.858 175.462 176.117 0.339 0.000 1.010 484 I CA -0.650 60.849 61.300 0.332 0.000 1.308 484 I CB 0.907 38.967 38.000 0.101 0.000 1.400 484 I HN 0.563 nan 8.210 nan 0.000 0.488 485 Y N 7.691 128.206 120.300 0.358 0.000 2.640 485 Y HA 0.241 4.792 4.550 0.001 0.000 0.355 485 Y C 0.227 176.292 175.900 0.275 0.000 1.088 485 Y CA -0.365 57.914 58.100 0.300 0.000 1.443 485 Y CB -0.043 38.613 38.460 0.328 0.000 1.224 485 Y HN 0.376 nan 8.280 nan 0.000 0.516 486 L N 6.316 127.509 121.223 -0.051 0.000 2.678 486 L HA -0.061 4.280 4.340 0.001 0.000 0.285 486 L C 1.305 178.317 176.870 0.237 0.000 1.233 486 L CA 1.556 56.439 54.840 0.071 0.000 0.920 486 L CB -0.294 41.640 42.059 -0.209 0.000 1.176 486 L HN 1.052 nan 8.230 nan 0.000 0.495 487 G N 1.816 110.891 108.800 0.458 0.000 2.481 487 G HA2 -0.225 3.736 3.960 0.001 0.000 0.200 487 G HA3 -0.225 3.736 3.960 0.001 0.000 0.200 487 G C 0.658 175.739 174.900 0.302 0.000 1.012 487 G CA 0.091 45.458 45.100 0.445 0.000 0.676 487 G HN 0.592 nan 8.290 nan 0.000 0.488 488 D N 1.540 122.145 120.400 0.342 0.000 2.178 488 D HA -0.008 4.633 4.640 0.001 0.000 0.202 488 D C 2.432 178.830 176.300 0.163 0.000 0.974 488 D CA 1.310 55.495 54.000 0.308 0.000 0.841 488 D CB -0.134 40.935 40.800 0.449 0.000 0.953 488 D HN 0.720 nan 8.370 nan 0.000 0.478 489 E N 0.976 121.254 120.200 0.130 0.000 2.463 489 E HA -0.111 4.240 4.350 0.001 0.000 0.201 489 E C 1.259 177.928 176.600 0.115 0.000 1.045 489 E CA 0.750 57.214 56.400 0.107 0.000 0.872 489 E CB -0.058 29.783 29.700 0.235 0.000 0.797 489 E HN 0.307 nan 8.360 nan 0.000 0.538 490 V N -4.156 115.750 119.914 -0.013 0.000 3.252 490 V HA 0.518 4.639 4.120 0.001 0.000 0.320 490 V C 1.021 177.073 176.094 -0.070 0.000 1.459 490 V CA -0.120 62.096 62.300 -0.139 0.000 1.095 490 V CB 0.069 31.568 31.823 -0.541 0.000 0.997 490 V HN 0.175 nan 8.190 nan 0.000 0.469 491 G N 1.063 109.879 108.800 0.026 0.000 2.246 491 G HA2 -0.243 3.717 3.960 0.001 0.000 0.273 491 G HA3 -0.243 3.717 3.960 0.001 0.000 0.273 491 G C 0.123 175.065 174.900 0.069 0.000 1.055 491 G CA 0.423 45.562 45.100 0.066 0.000 0.851 491 G HN 0.666 nan 8.290 nan 0.000 0.500 492 T N 0.778 115.385 114.554 0.088 0.000 2.902 492 T HA 0.407 4.758 4.350 0.001 0.000 0.301 492 T C 1.352 176.139 174.700 0.146 0.000 1.012 492 T CA 0.257 62.421 62.100 0.108 0.000 1.151 492 T CB 0.987 69.953 68.868 0.164 0.000 0.946 492 T HN 0.399 nan 8.240 nan 0.000 0.542 493 L N 2.547 123.844 121.223 0.123 0.000 2.569 493 L HA 0.429 4.769 4.340 0.001 0.000 0.247 493 L C 0.965 177.927 176.870 0.153 0.000 1.135 493 L CA -1.377 53.542 54.840 0.131 0.000 0.812 493 L CB 0.332 42.455 42.059 0.105 0.000 1.431 493 L HN 0.490 nan 8.230 nan 0.000 0.499 494 N N 0.511 119.302 118.700 0.151 0.000 2.415 494 N HA -0.011 4.730 4.740 0.001 0.000 0.248 494 N C -0.580 175.044 175.510 0.189 0.000 1.271 494 N CA -0.119 53.031 53.050 0.167 0.000 0.913 494 N CB 0.192 38.782 38.487 0.171 0.000 1.129 494 N HN 0.470 nan 8.380 nan 0.000 0.444 495 D N 0.315 120.850 120.400 0.224 0.000 2.348 495 D HA 0.001 4.642 4.640 0.001 0.000 0.253 495 D C -0.610 175.894 176.300 0.339 0.000 1.161 495 D CA -0.191 53.964 54.000 0.258 0.000 0.876 495 D CB 0.487 41.455 40.800 0.281 0.000 1.160 495 D HN 0.452 nan 8.370 nan 0.000 0.459 496 D N 2.028 122.550 120.400 0.203 0.000 2.561 496 D HA 0.132 4.773 4.640 0.001 0.000 0.232 496 D C -0.232 176.090 176.300 0.037 0.000 1.198 496 D CA -0.298 53.780 54.000 0.131 0.000 0.826 496 D CB 0.594 41.443 40.800 0.081 0.000 0.992 496 D HN 0.179 nan 8.370 nan 0.000 0.490 497 D N -0.752 119.684 120.400 0.059 0.000 2.318 497 D HA -0.037 4.604 4.640 0.001 0.000 0.294 497 D C 1.766 178.005 176.300 -0.101 0.000 1.091 497 D CA -0.157 53.821 54.000 -0.036 0.000 0.883 497 D CB -0.521 40.282 40.800 0.005 0.000 1.545 497 D HN 0.360 nan 8.370 nan 0.000 0.513 498 W N 2.835 124.128 121.300 -0.012 0.000 2.305 498 W HA -0.247 4.413 4.660 0.001 0.000 0.308 498 W C 1.561 178.073 176.519 -0.012 0.000 1.226 498 W CA 1.857 59.187 57.345 -0.026 0.000 1.253 498 W CB -1.474 28.027 29.460 0.068 0.000 1.146 498 W HN 0.046 nan 8.180 nan 0.000 0.507 499 S N 0.737 115.494 115.700 -1.570 0.000 2.442 499 S HA -0.224 4.247 4.470 0.001 0.000 0.236 499 S C 1.660 175.923 174.600 -0.562 0.000 1.007 499 S CA 1.527 58.868 58.200 -1.431 0.000 0.965 499 S CB -0.679 61.687 63.200 -1.390 0.000 0.773 499 S HN 0.606 nan 8.310 nan 0.000 0.504 500 Q N 0.433 120.007 119.800 -0.376 0.000 2.247 500 Q HA 0.223 4.563 4.340 0.001 0.000 0.211 500 Q C -0.528 175.386 176.000 -0.143 0.000 0.861 500 Q CA -0.135 55.541 55.803 -0.212 0.000 0.949 500 Q CB 0.334 28.969 28.738 -0.171 0.000 1.115 500 Q HN 0.480 nan 8.270 nan 0.000 0.507 501 D N 0.781 121.099 120.400 -0.137 0.000 2.365 501 D HA 0.009 4.650 4.640 0.001 0.000 0.237 501 D C 1.009 177.260 176.300 -0.082 0.000 1.190 501 D CA -0.014 53.922 54.000 -0.107 0.000 0.867 501 D CB 1.249 41.973 40.800 -0.127 0.000 1.050 501 D HN 0.100 nan 8.370 nan 0.000 0.491 502 S N 3.002 118.661 115.700 -0.067 0.000 2.462 502 S HA -0.217 4.254 4.470 0.001 0.000 0.243 502 S C 1.209 175.794 174.600 -0.025 0.000 1.003 502 S CA 0.987 59.165 58.200 -0.037 0.000 0.970 502 S CB -0.367 62.814 63.200 -0.033 0.000 0.762 502 S HN 0.598 nan 8.310 nan 0.000 0.510 503 N N 0.561 119.221 118.700 -0.068 0.000 2.412 503 N HA 0.165 4.905 4.740 0.001 0.000 0.184 503 N C 1.441 176.903 175.510 -0.080 0.000 1.101 503 N CA 0.431 53.434 53.050 -0.077 0.000 0.881 503 N CB 0.151 38.552 38.487 -0.143 0.000 0.969 503 N HN 0.484 nan 8.380 nan 0.000 0.459 504 K N -0.696 119.660 120.400 -0.073 0.000 2.511 504 K HA 0.101 4.421 4.320 0.001 0.000 0.209 504 K C 1.702 178.519 176.600 0.361 0.000 1.301 504 K CA 0.198 56.493 56.287 0.014 0.000 0.967 504 K CB 0.497 32.824 32.500 -0.289 0.000 1.109 504 K HN 0.010 nan 8.250 nan 0.000 0.561 505 S N 2.338 118.168 115.700 0.217 0.000 2.441 505 S HA -0.201 4.269 4.470 0.001 0.000 0.242 505 S C 1.347 176.149 174.600 0.337 0.000 1.018 505 S CA 1.911 60.230 58.200 0.198 0.000 0.988 505 S CB -0.473 62.731 63.200 0.007 0.000 0.778 505 S HN 0.382 nan 8.310 nan 0.000 0.498 506 D N -0.055 120.527 120.400 0.303 0.000 2.368 506 D HA 0.174 4.815 4.640 0.001 0.000 0.218 506 D C -0.327 176.157 176.300 0.307 0.000 1.112 506 D CA -0.235 53.926 54.000 0.268 0.000 0.834 506 D CB -0.145 40.761 40.800 0.177 0.000 0.953 506 D HN 0.335 nan 8.370 nan 0.000 0.505 507 D N 0.717 121.369 120.400 0.419 0.000 2.346 507 D HA 0.027 4.668 4.640 0.001 0.000 0.255 507 D C 0.956 177.341 176.300 0.142 0.000 1.276 507 D CA -0.276 53.940 54.000 0.359 0.000 0.941 507 D CB 1.324 42.339 40.800 0.358 0.000 1.199 507 D HN -0.061 nan 8.370 nan 0.000 0.537 508 S N 2.754 118.466 115.700 0.019 0.000 2.537 508 S HA -0.126 4.345 4.470 0.001 0.000 0.240 508 S C 1.641 175.678 174.600 -0.938 0.000 0.981 508 S CA 0.374 58.139 58.200 -0.724 0.000 0.948 508 S CB -0.094 63.013 63.200 -0.155 0.000 0.759 508 S HN 0.430 nan 8.310 nan 0.000 0.531 509 R N -0.299 119.684 120.500 -0.862 0.000 2.193 509 R HA -0.024 4.317 4.340 0.001 0.000 0.229 509 R C 1.398 176.920 176.300 -1.295 0.000 1.110 509 R CA 1.567 56.945 56.100 -1.203 0.000 0.988 509 R CB -0.349 29.315 30.300 -1.061 0.000 0.871 509 R HN 0.598 nan 8.270 nan 0.000 0.458 510 W N 0.383 121.194 121.300 -0.816 0.000 2.611 510 W HA -0.030 4.630 4.660 0.001 0.000 0.251 510 W C 2.234 178.319 176.519 -0.722 0.000 1.265 510 W CA 0.561 57.557 57.345 -0.580 0.000 1.295 510 W CB -0.029 29.291 29.460 -0.234 0.000 1.129 510 W HN 0.166 nan 8.180 nan 0.000 0.630 511 A N 0.235 122.425 122.820 -1.049 0.000 1.933 511 A HA -0.207 4.114 4.320 0.001 0.000 0.218 511 A C 1.543 178.979 177.584 -0.246 0.000 1.175 511 A CA 1.655 53.244 52.037 -0.746 0.000 0.628 511 A CB -1.163 17.428 19.000 -0.681 0.000 0.814 511 A HN 0.592 nan 8.150 nan 0.000 0.444 512 H N -2.098 116.849 119.070 -0.204 0.000 2.550 512 H HA 0.442 4.998 4.556 0.001 0.000 0.304 512 H C -0.222 175.153 175.328 0.078 0.000 1.086 512 H CA -0.297 55.707 56.048 -0.073 0.000 1.089 512 H CB -0.160 29.482 29.762 -0.200 0.000 1.528 512 H HN 0.358 nan 8.280 nan 0.000 0.539 513 R N 2.214 122.772 120.500 0.098 0.000 2.886 513 R HA 0.244 4.585 4.340 0.001 0.000 0.306 513 R C -2.702 173.735 176.300 0.229 0.000 1.300 513 R CA -1.471 54.751 56.100 0.203 0.000 1.441 513 R CB 1.015 31.300 30.300 -0.025 0.000 1.328 513 R HN 0.359 nan 8.270 nan 0.000 0.629 514 P HA 0.129 nan 4.420 nan 0.000 0.274 514 P C -0.379 177.055 177.300 0.223 0.000 1.237 514 P CA -0.349 62.886 63.100 0.225 0.000 0.793 514 P CB 1.149 32.983 31.700 0.222 0.000 0.977 515 R N 0.059 120.664 120.500 0.175 0.000 2.649 515 R HA 0.171 4.512 4.340 0.001 0.000 0.270 515 R C 0.092 176.499 176.300 0.178 0.000 1.105 515 R CA -0.541 55.659 56.100 0.167 0.000 1.193 515 R CB -0.034 30.334 30.300 0.114 0.000 1.120 515 R HN 0.470 nan 8.270 nan 0.000 0.561 516 Y N 1.289 121.579 120.300 -0.017 0.000 2.729 516 Y HA -0.137 4.414 4.550 0.001 0.000 0.331 516 Y C 0.123 176.005 175.900 -0.030 0.000 1.208 516 Y CA 0.557 58.567 58.100 -0.150 0.000 1.521 516 Y CB 0.019 38.187 38.460 -0.487 0.000 1.233 516 Y HN 0.486 nan 8.280 nan 0.000 0.539 517 N N 5.636 124.190 118.700 -0.243 0.000 2.521 517 N HA 0.017 4.758 4.740 0.001 0.000 0.236 517 N C 0.633 176.006 175.510 -0.228 0.000 1.067 517 N CA -0.432 52.532 53.050 -0.142 0.000 0.939 517 N CB 0.470 38.915 38.487 -0.070 0.000 1.201 517 N HN 0.719 nan 8.380 nan 0.000 0.511 518 E N 2.254 122.389 120.200 -0.109 0.000 2.097 518 E HA -0.253 4.098 4.350 0.001 0.000 0.196 518 E C 1.735 178.317 176.600 -0.030 0.000 1.000 518 E CA 1.281 57.670 56.400 -0.018 0.000 0.804 518 E CB -0.335 29.400 29.700 0.057 0.000 0.740 518 E HN 0.768 nan 8.360 nan 0.000 0.454 519 A N 1.275 124.072 122.820 -0.038 0.000 1.877 519 A HA -0.146 4.175 4.320 0.001 0.000 0.216 519 A C 2.423 179.964 177.584 -0.071 0.000 1.186 519 A CA 1.204 53.218 52.037 -0.039 0.000 0.620 519 A CB -0.707 18.276 19.000 -0.029 0.000 0.822 519 A HN 0.173 nan 8.150 nan 0.000 0.443 520 L N -2.406 118.748 121.223 -0.115 0.000 2.056 520 L HA -0.179 4.162 4.340 0.001 0.000 0.207 520 L C 2.550 179.252 176.870 -0.281 0.000 1.078 520 L CA 1.364 56.090 54.840 -0.190 0.000 0.749 520 L CB -0.663 41.252 42.059 -0.239 0.000 0.901 520 L HN 0.444 nan 8.230 nan 0.000 0.433 521 Y N 0.003 120.138 120.300 -0.275 0.000 2.352 521 Y HA -0.154 4.397 4.550 0.001 0.000 0.292 521 Y C 2.544 178.324 175.900 -0.199 0.000 1.136 521 Y CA 1.014 58.936 58.100 -0.297 0.000 1.227 521 Y CB -0.381 37.805 38.460 -0.457 0.000 0.991 521 Y HN 0.127 nan 8.280 nan 0.000 0.545 522 A N -0.633 122.172 122.820 -0.024 0.000 2.167 522 A HA -0.110 4.210 4.320 0.001 0.000 0.214 522 A C 1.792 179.347 177.584 -0.048 0.000 1.151 522 A CA 0.948 52.970 52.037 -0.025 0.000 0.735 522 A CB -0.283 18.708 19.000 -0.014 0.000 0.802 522 A HN 0.517 nan 8.150 nan 0.000 0.467 523 Q N -0.807 118.946 119.800 -0.078 0.000 2.282 523 Q HA 0.017 4.358 4.340 0.001 0.000 0.206 523 Q C 1.742 177.693 176.000 -0.082 0.000 0.878 523 Q CA 0.260 56.022 55.803 -0.068 0.000 0.944 523 Q CB 0.174 28.875 28.738 -0.063 0.000 1.100 523 Q HN 0.856 nan 8.270 nan 0.000 0.509 524 R N 0.516 120.926 120.500 -0.149 0.000 2.200 524 R HA -0.082 4.258 4.340 0.001 0.000 0.234 524 R C 0.868 177.121 176.300 -0.078 0.000 1.127 524 R CA 1.379 57.356 56.100 -0.206 0.000 0.989 524 R CB -0.172 29.777 30.300 -0.585 0.000 0.869 524 R HN 0.107 nan 8.270 nan 0.000 0.459 525 N N 0.510 119.184 118.700 -0.044 0.000 2.280 525 N HA -0.028 4.713 4.740 0.001 0.000 0.192 525 N C -0.688 174.839 175.510 0.029 0.000 1.109 525 N CA 0.209 53.273 53.050 0.025 0.000 0.855 525 N CB 0.331 38.830 38.487 0.019 0.000 0.974 525 N HN 0.235 nan 8.380 nan 0.000 0.482 526 D N 2.079 122.486 120.400 0.013 0.000 2.396 526 D HA 0.137 4.777 4.640 0.001 0.000 0.225 526 D C -1.535 174.776 176.300 0.018 0.000 1.121 526 D CA -2.076 51.931 54.000 0.011 0.000 0.853 526 D CB 1.728 42.526 40.800 -0.002 0.000 1.043 526 D HN 0.038 nan 8.370 nan 0.000 0.500 527 P HA -0.068 nan 4.420 nan 0.000 0.228 527 P C 0.762 178.067 177.300 0.009 0.000 1.151 527 P CA 0.429 63.540 63.100 0.018 0.000 0.770 527 P CB 0.489 32.197 31.700 0.013 0.000 0.786 528 S N -0.879 114.824 115.700 0.005 0.000 2.528 528 S HA 0.029 4.500 4.470 0.001 0.000 0.219 528 S C 1.184 175.783 174.600 -0.001 0.000 0.985 528 S CA 0.411 58.612 58.200 0.001 0.000 0.914 528 S CB -0.363 62.836 63.200 -0.000 0.000 0.776 528 S HN 0.429 nan 8.310 nan 0.000 0.526 529 T N -1.134 113.420 114.554 -0.000 0.000 2.943 529 T HA 0.740 5.091 4.350 0.001 0.000 0.284 529 T C 1.231 175.931 174.700 -0.001 0.000 1.015 529 T CA -0.283 61.814 62.100 -0.004 0.000 1.042 529 T CB 1.637 70.498 68.868 -0.013 0.000 1.055 529 T HN -0.041 nan 8.240 nan 0.000 0.500 530 A N 1.294 124.113 122.820 -0.003 0.000 1.930 530 A HA 0.258 4.579 4.320 0.001 0.000 0.217 530 A C 2.575 180.162 177.584 0.006 0.000 1.175 530 A CA 1.604 53.643 52.037 0.003 0.000 0.627 530 A CB -1.458 17.545 19.000 0.005 0.000 0.815 530 A HN 1.242 nan 8.150 nan 0.000 0.443 531 A N -0.396 122.416 122.820 -0.013 0.000 1.902 531 A HA 0.114 4.434 4.320 0.001 0.000 0.217 531 A C 2.398 179.995 177.584 0.021 0.000 1.181 531 A CA 1.947 53.965 52.037 -0.032 0.000 0.623 531 A CB -1.341 17.599 19.000 -0.100 0.000 0.818 531 A HN 0.696 nan 8.150 nan 0.000 0.443 532 G N -1.097 107.717 108.800 0.023 0.000 2.402 532 G HA2 -0.170 3.791 3.960 0.001 0.000 0.216 532 G HA3 -0.170 3.791 3.960 0.001 0.000 0.216 532 G C 1.613 176.572 174.900 0.098 0.000 1.162 532 G CA 0.953 46.096 45.100 0.072 0.000 0.777 532 G HN 0.620 nan 8.290 nan 0.000 0.539 533 Q N -0.170 119.661 119.800 0.052 0.000 2.020 533 Q HA -0.023 4.318 4.340 0.001 0.000 0.202 533 Q C 2.609 178.633 176.000 0.040 0.000 0.982 533 Q CA 1.228 57.052 55.803 0.035 0.000 0.838 533 Q CB -0.227 28.520 28.738 0.014 0.000 0.899 533 Q HN 0.514 nan 8.270 nan 0.000 0.423 534 I N -0.436 120.162 120.570 0.048 0.000 2.179 534 I HA -0.312 3.859 4.170 0.001 0.000 0.242 534 I C 2.251 178.398 176.117 0.051 0.000 1.088 534 I CA 1.322 62.648 61.300 0.043 0.000 1.357 534 I CB -0.374 37.657 38.000 0.052 0.000 1.051 534 I HN 0.236 nan 8.210 nan 0.000 0.409 535 Y N 1.890 122.183 120.300 -0.011 0.000 2.070 535 Y HA -0.330 4.221 4.550 0.001 0.000 0.280 535 Y C 2.756 178.671 175.900 0.025 0.000 1.148 535 Y CA 1.757 59.864 58.100 0.012 0.000 1.125 535 Y CB -0.303 38.173 38.460 0.027 0.000 0.975 535 Y HN 0.145 nan 8.280 nan 0.000 0.492 536 Q N 0.401 120.244 119.800 0.071 0.000 2.181 536 Q HA -0.178 4.162 4.340 0.001 0.000 0.205 536 Q C 1.787 177.753 176.000 -0.057 0.000 0.980 536 Q CA 1.665 57.464 55.803 -0.007 0.000 0.862 536 Q CB -0.522 28.259 28.738 0.073 0.000 0.905 536 Q HN 0.608 nan 8.270 nan 0.000 0.429 537 D N 0.053 120.427 120.400 -0.044 0.000 2.077 537 D HA -0.100 4.541 4.640 0.001 0.000 0.196 537 D C 2.081 178.342 176.300 -0.065 0.000 0.986 537 D CA 0.667 54.647 54.000 -0.034 0.000 0.829 537 D CB -0.122 40.657 40.800 -0.036 0.000 0.983 537 D HN 0.113 nan 8.370 nan 0.000 0.453 538 L N 0.649 121.797 121.223 -0.125 0.000 2.042 538 L HA -0.140 4.201 4.340 0.001 0.000 0.210 538 L C 2.383 179.137 176.870 -0.193 0.000 1.076 538 L CA 1.218 55.961 54.840 -0.163 0.000 0.749 538 L CB -0.572 41.350 42.059 -0.228 0.000 0.893 538 L HN -0.088 nan 8.230 nan 0.000 0.432 539 R N -1.160 119.158 120.500 -0.303 0.000 2.096 539 R HA -0.220 4.121 4.340 0.001 0.000 0.235 539 R C 2.431 178.668 176.300 -0.105 0.000 1.127 539 R CA 1.543 57.471 56.100 -0.286 0.000 0.968 539 R CB -0.580 29.439 30.300 -0.469 0.000 0.861 539 R HN 0.517 nan 8.270 nan 0.000 0.440 540 H N -0.359 118.623 119.070 -0.147 0.000 2.321 540 H HA -0.019 4.538 4.556 0.001 0.000 0.300 540 H C 1.760 177.052 175.328 -0.060 0.000 1.087 540 H CA 2.462 58.458 56.048 -0.088 0.000 1.319 540 H CB -0.134 29.574 29.762 -0.090 0.000 1.379 540 H HN 0.185 nan 8.280 nan 0.000 0.501 541 M N -0.604 118.848 119.600 -0.247 0.000 2.175 541 M HA -0.095 4.386 4.480 0.001 0.000 0.264 541 M C 2.319 178.570 176.300 -0.082 0.000 1.063 541 M CA 1.411 56.593 55.300 -0.196 0.000 1.119 541 M CB -0.121 32.417 32.600 -0.103 0.000 1.377 541 M HN 0.293 nan 8.290 nan 0.000 0.415 542 I N 0.197 120.709 120.570 -0.096 0.000 2.179 542 I HA -0.266 3.905 4.170 0.001 0.000 0.242 542 I C 2.743 178.795 176.117 -0.108 0.000 1.088 542 I CA 1.257 62.502 61.300 -0.092 0.000 1.357 542 I CB -0.562 37.385 38.000 -0.088 0.000 1.051 542 I HN 0.251 nan 8.210 nan 0.000 0.409 543 A N 0.439 123.199 122.820 -0.099 0.000 1.883 543 A HA -0.170 4.150 4.320 0.001 0.000 0.217 543 A C 2.437 179.968 177.584 -0.088 0.000 1.186 543 A CA 1.921 53.919 52.037 -0.065 0.000 0.624 543 A CB -1.025 17.967 19.000 -0.012 0.000 0.822 543 A HN 0.239 nan 8.150 nan 0.000 0.444 544 V N 0.294 120.117 119.914 -0.152 0.000 2.295 544 V HA -0.281 3.840 4.120 0.001 0.000 0.246 544 V C 2.687 178.620 176.094 -0.269 0.000 1.049 544 V CA 2.354 64.583 62.300 -0.120 0.000 1.024 544 V CB -0.852 30.933 31.823 -0.063 0.000 0.648 544 V HN 0.710 nan 8.190 nan 0.000 0.447 545 R N 0.049 120.255 120.500 -0.491 0.000 2.096 545 R HA -0.249 4.092 4.340 0.001 0.000 0.240 545 R C 2.311 178.429 176.300 -0.302 0.000 1.139 545 R CA 2.277 57.914 56.100 -0.772 0.000 0.952 545 R CB -0.290 29.677 30.300 -0.555 0.000 0.854 545 R HN 0.611 nan 8.270 nan 0.000 0.436 546 Q N -0.225 119.479 119.800 -0.160 0.000 2.230 546 Q HA -0.079 4.261 4.340 0.001 0.000 0.202 546 Q C 2.057 178.050 176.000 -0.012 0.000 0.963 546 Q CA 1.720 57.487 55.803 -0.060 0.000 0.866 546 Q CB 0.198 28.913 28.738 -0.038 0.000 0.931 546 Q HN 0.492 nan 8.270 nan 0.000 0.452 547 S N -0.354 115.342 115.700 -0.007 0.000 2.486 547 S HA 0.030 4.501 4.470 0.001 0.000 0.220 547 S C 0.760 175.403 174.600 0.072 0.000 1.011 547 S CA -0.313 57.907 58.200 0.033 0.000 0.921 547 S CB 0.165 63.386 63.200 0.036 0.000 0.785 547 S HN 0.108 nan 8.310 nan 0.000 0.517 548 N N 2.663 121.434 118.700 0.118 0.000 2.426 548 N HA 0.374 5.115 4.740 0.001 0.000 0.257 548 N C -2.409 173.237 175.510 0.227 0.000 1.002 548 N CA -1.951 51.222 53.050 0.206 0.000 0.942 548 N CB 1.764 40.475 38.487 0.372 0.000 1.112 548 N HN -0.013 nan 8.380 nan 0.000 0.499 549 P HA -0.022 nan 4.420 nan 0.000 0.222 549 P C 0.750 178.065 177.300 0.025 0.000 1.147 549 P CA 0.985 64.126 63.100 0.069 0.000 0.790 549 P CB 0.321 32.041 31.700 0.034 0.000 0.780 550 R N -1.793 118.682 120.500 -0.042 0.000 2.293 550 R HA -0.034 4.306 4.340 0.001 0.000 0.219 550 R C 1.225 177.309 176.300 -0.361 0.000 1.091 550 R CA 0.925 56.884 56.100 -0.235 0.000 1.004 550 R CB -0.614 29.459 30.300 -0.378 0.000 0.865 550 R HN 0.292 nan 8.270 nan 0.000 0.469 551 F N 0.134 120.018 119.950 -0.111 0.000 2.746 551 F HA 0.096 4.624 4.527 0.001 0.000 0.297 551 F C 0.855 176.609 175.800 -0.077 0.000 1.113 551 F CA -0.572 57.349 58.000 -0.132 0.000 1.367 551 F CB -0.021 38.873 39.000 -0.178 0.000 1.111 551 F HN -0.132 nan 8.300 nan 0.000 0.590 552 D N 0.519 120.976 120.400 0.096 0.000 2.449 552 D HA 0.363 5.004 4.640 0.001 0.000 0.236 552 D C 0.685 177.006 176.300 0.034 0.000 1.149 552 D CA 1.752 55.787 54.000 0.058 0.000 0.878 552 D CB 0.569 41.393 40.800 0.040 0.000 1.198 552 D HN 0.400 nan 8.370 nan 0.000 0.446 553 G N 1.470 110.287 108.800 0.029 0.000 2.796 553 G HA2 0.092 4.053 3.960 0.001 0.000 0.571 553 G HA3 0.092 4.053 3.960 0.001 0.000 0.571 553 G C 0.513 175.436 174.900 0.039 0.000 1.370 553 G CA -0.077 45.034 45.100 0.019 0.000 0.856 553 G HN 0.896 nan 8.290 nan 0.000 0.538 554 G N -0.499 108.322 108.800 0.036 0.000 3.519 554 G HA2 0.447 4.408 3.960 0.001 0.000 0.269 554 G HA3 0.447 4.408 3.960 0.001 0.000 0.269 554 G C 0.599 175.593 174.900 0.156 0.000 1.028 554 G CA 0.023 45.177 45.100 0.089 0.000 0.809 554 G HN 0.526 nan 8.290 nan 0.000 0.521 555 R N 0.412 120.974 120.500 0.103 0.000 2.457 555 R HA 0.683 5.024 4.340 0.001 0.000 0.284 555 R C -0.502 175.861 176.300 0.104 0.000 1.024 555 R CA -0.474 55.697 56.100 0.119 0.000 1.025 555 R CB 1.578 31.904 30.300 0.042 0.000 1.063 555 R HN 0.300 nan 8.270 nan 0.000 0.493 556 L N -1.884 119.398 121.223 0.099 0.000 2.540 556 L HA 0.671 5.012 4.340 0.001 0.000 0.256 556 L C -1.171 175.689 176.870 -0.016 0.000 1.001 556 L CA -0.987 53.848 54.840 -0.008 0.000 0.843 556 L CB 1.840 43.796 42.059 -0.170 0.000 1.436 556 L HN 0.188 nan 8.230 nan 0.000 0.410 557 V N 0.798 120.706 119.914 -0.009 0.000 2.531 557 V HA 0.656 4.777 4.120 0.001 0.000 0.301 557 V C 0.282 176.397 176.094 0.035 0.000 1.034 557 V CA 0.105 62.402 62.300 -0.005 0.000 0.865 557 V CB 1.980 33.811 31.823 0.014 0.000 0.995 557 V HN 1.084 nan 8.190 nan 0.000 0.424 558 T N 1.852 116.399 114.554 -0.012 0.000 2.860 558 T HA 0.566 4.917 4.350 0.001 0.000 0.299 558 T C -0.716 174.113 174.700 0.216 0.000 1.045 558 T CA -0.172 61.966 62.100 0.063 0.000 1.071 558 T CB 0.974 69.721 68.868 -0.202 0.000 0.985 558 T HN 0.425 nan 8.240 nan 0.000 0.537 559 F N 1.432 121.469 119.950 0.146 0.000 2.493 559 F HA 0.475 5.003 4.527 0.001 0.000 0.329 559 F C -0.504 175.425 175.800 0.214 0.000 1.126 559 F CA -1.252 56.833 58.000 0.141 0.000 0.937 559 F CB 1.323 40.368 39.000 0.075 0.000 1.146 559 F HN 0.663 nan 8.300 nan 0.000 0.442 560 N N 3.172 121.597 118.700 -0.459 0.000 2.405 560 N HA 0.110 4.850 4.740 0.001 0.000 0.260 560 N C 0.834 176.077 175.510 -0.444 0.000 1.152 560 N CA 0.347 53.180 53.050 -0.361 0.000 0.948 560 N CB 1.053 39.351 38.487 -0.316 0.000 1.111 560 N HN 0.729 nan 8.380 nan 0.000 0.485 561 T N -0.604 113.909 114.554 -0.067 0.000 3.067 561 T HA -0.010 4.341 4.350 0.001 0.000 0.261 561 T C 0.729 175.420 174.700 -0.015 0.000 1.110 561 T CA 0.012 62.170 62.100 0.097 0.000 1.113 561 T CB -0.022 68.963 68.868 0.194 0.000 0.917 561 T HN 0.523 nan 8.240 nan 0.000 0.499 562 N N 1.734 120.383 118.700 -0.085 0.000 2.753 562 N HA -0.145 4.595 4.740 0.001 0.000 0.251 562 N C -0.719 174.751 175.510 -0.067 0.000 1.097 562 N CA 0.992 53.992 53.050 -0.084 0.000 0.786 562 N CB -1.573 36.877 38.487 -0.062 0.000 1.137 562 N HN 0.606 nan 8.380 nan 0.000 0.566 563 N N 0.899 119.566 118.700 -0.055 0.000 2.504 563 N HA 0.113 4.854 4.740 0.001 0.000 0.280 563 N C 0.999 176.460 175.510 -0.081 0.000 1.052 563 N CA -0.424 52.596 53.050 -0.049 0.000 0.887 563 N CB 0.995 39.484 38.487 0.003 0.000 1.323 563 N HN 0.195 nan 8.380 nan 0.000 0.509 564 K N 2.179 122.462 120.400 -0.195 0.000 2.442 564 K HA -0.112 4.208 4.320 0.001 0.000 0.199 564 K C 0.048 176.502 176.600 -0.242 0.000 1.044 564 K CA 1.208 57.339 56.287 -0.260 0.000 0.941 564 K CB -0.033 32.258 32.500 -0.348 0.000 0.759 564 K HN 0.495 nan 8.250 nan 0.000 0.472 565 H N 0.074 119.162 119.070 0.031 0.000 2.622 565 H HA 0.312 4.869 4.556 0.001 0.000 0.269 565 H C 0.218 175.632 175.328 0.143 0.000 0.977 565 H CA -0.011 56.081 56.048 0.074 0.000 1.179 565 H CB 0.463 30.257 29.762 0.053 0.000 1.458 565 H HN 0.130 nan 8.280 nan 0.000 0.531 566 I N 1.620 122.319 120.570 0.215 0.000 2.406 566 I HA 0.160 4.330 4.170 0.001 0.000 0.290 566 I C -0.419 175.869 176.117 0.285 0.000 0.999 566 I CA -0.977 60.473 61.300 0.250 0.000 1.124 566 I CB 2.349 40.438 38.000 0.149 0.000 1.289 566 I HN -0.148 nan 8.210 nan 0.000 0.441 567 I N 4.999 125.804 120.570 0.392 0.000 2.499 567 I HA 0.714 4.884 4.170 0.001 0.000 0.296 567 I C 0.286 176.684 176.117 0.468 0.000 0.992 567 I CA 0.255 61.799 61.300 0.407 0.000 1.297 567 I CB 1.461 39.724 38.000 0.439 0.000 1.410 567 I HN 0.617 nan 8.210 nan 0.000 0.507 568 G N 6.243 115.330 108.800 0.477 0.000 2.731 568 G HA2 0.633 4.594 3.960 0.001 0.000 0.298 568 G HA3 0.633 4.594 3.960 0.001 0.000 0.298 568 G C -1.976 173.131 174.900 0.344 0.000 1.424 568 G CA -0.475 44.848 45.100 0.371 0.000 1.029 568 G HN 0.696 nan 8.290 nan 0.000 0.518 569 Y N -0.677 119.628 120.300 0.008 0.000 2.656 569 Y HA 0.789 5.340 4.550 0.001 0.000 0.334 569 Y C -1.217 174.584 175.900 -0.165 0.000 1.179 569 Y CA -1.806 56.267 58.100 -0.045 0.000 1.050 569 Y CB 1.408 39.816 38.460 -0.086 0.000 1.308 569 Y HN 0.483 nan 8.280 nan 0.000 0.456 570 I N 3.078 123.667 120.570 0.032 0.000 2.498 570 I HA 0.503 4.673 4.170 0.001 0.000 0.290 570 I C -0.875 175.202 176.117 -0.066 0.000 1.032 570 I CA -1.134 60.098 61.300 -0.113 0.000 1.073 570 I CB 1.760 39.691 38.000 -0.115 0.000 1.251 570 I HN 0.502 nan 8.210 nan 0.000 0.426 571 R N 5.076 125.482 120.500 -0.156 0.000 2.346 571 R HA 0.359 4.699 4.340 0.001 0.000 0.311 571 R C 0.227 176.423 176.300 -0.173 0.000 0.983 571 R CA -0.693 55.314 56.100 -0.156 0.000 0.880 571 R CB 0.748 30.892 30.300 -0.261 0.000 1.100 571 R HN 0.637 nan 8.270 nan 0.000 0.453 572 N N 2.302 120.936 118.700 -0.110 0.000 2.678 572 N HA -0.279 4.462 4.740 0.001 0.000 0.249 572 N C -0.340 175.114 175.510 -0.094 0.000 1.119 572 N CA 0.791 53.785 53.050 -0.093 0.000 0.718 572 N CB -0.570 37.854 38.487 -0.105 0.000 1.060 572 N HN 0.712 nan 8.380 nan 0.000 0.552 573 N N -2.200 116.444 118.700 -0.093 0.000 2.693 573 N HA -0.273 4.467 4.740 0.001 0.000 0.249 573 N C 0.517 175.962 175.510 -0.107 0.000 1.119 573 N CA 1.204 54.203 53.050 -0.085 0.000 0.717 573 N CB -0.863 37.593 38.487 -0.053 0.000 1.071 573 N HN 0.733 nan 8.380 nan 0.000 0.555 574 A N -1.421 121.308 122.820 -0.152 0.000 2.480 574 A HA 0.277 4.597 4.320 0.001 0.000 0.191 574 A C -0.039 177.412 177.584 -0.221 0.000 1.503 574 A CA -0.052 51.890 52.037 -0.159 0.000 1.110 574 A CB 0.767 19.685 19.000 -0.137 0.000 1.401 574 A HN 0.135 nan 8.150 nan 0.000 0.533 575 L N 1.558 122.600 121.223 -0.300 0.000 2.372 575 L HA 0.618 4.959 4.340 0.001 0.000 0.274 575 L C -1.803 174.823 176.870 -0.407 0.000 0.988 575 L CA -0.646 53.958 54.840 -0.394 0.000 0.833 575 L CB 1.414 43.081 42.059 -0.653 0.000 1.236 575 L HN 0.240 nan 8.230 nan 0.000 0.410 576 L N 5.441 126.416 121.223 -0.413 0.000 2.262 576 L HA 0.731 5.072 4.340 0.001 0.000 0.288 576 L C -0.246 176.227 176.870 -0.662 0.000 1.035 576 L CA -0.087 54.402 54.840 -0.585 0.000 0.820 576 L CB 1.294 42.965 42.059 -0.648 0.000 1.204 576 L HN 0.709 nan 8.230 nan 0.000 0.424 577 A N 4.811 127.156 122.820 -0.791 0.000 2.305 577 A HA 0.781 5.102 4.320 0.001 0.000 0.322 577 A C -1.251 175.929 177.584 -0.674 0.000 1.187 577 A CA -0.324 51.331 52.037 -0.636 0.000 0.825 577 A CB 0.323 18.833 19.000 -0.817 0.000 1.164 577 A HN 0.557 nan 8.150 nan 0.000 0.498 578 F N 0.804 120.710 119.950 -0.073 0.000 2.532 578 F HA 0.683 5.211 4.527 0.001 0.000 0.321 578 F C 0.697 176.528 175.800 0.052 0.000 1.089 578 F CA -0.819 57.181 58.000 -0.001 0.000 0.926 578 F CB 2.736 41.741 39.000 0.009 0.000 1.168 578 F HN 0.699 nan 8.300 nan 0.000 0.459 579 G N 1.696 110.698 108.800 0.337 0.000 2.723 579 G HA2 0.352 4.313 3.960 0.001 0.000 0.295 579 G HA3 0.352 4.313 3.960 0.001 0.000 0.295 579 G C -1.773 173.254 174.900 0.211 0.000 1.464 579 G CA -0.723 44.507 45.100 0.215 0.000 1.012 579 G HN 0.473 nan 8.290 nan 0.000 0.522 580 N N 1.816 120.545 118.700 0.049 0.000 2.439 580 N HA 0.329 5.070 4.740 0.001 0.000 0.249 580 N C -0.108 175.352 175.510 -0.084 0.000 1.003 580 N CA -0.973 52.096 53.050 0.031 0.000 0.942 580 N CB 0.581 39.033 38.487 -0.059 0.000 1.115 580 N HN 0.265 nan 8.380 nan 0.000 0.505 581 F N 0.830 120.798 119.950 0.031 0.000 2.692 581 F HA 0.232 4.760 4.527 0.001 0.000 0.303 581 F C 1.369 177.080 175.800 -0.148 0.000 1.114 581 F CA -0.125 57.917 58.000 0.070 0.000 1.361 581 F CB 0.085 39.172 39.000 0.145 0.000 1.063 581 F HN 0.320 nan 8.300 nan 0.000 0.550 582 S N 0.659 116.185 115.700 -0.289 0.000 2.565 582 S HA 0.150 4.620 4.470 0.001 0.000 0.290 582 S C 1.102 175.079 174.600 -1.038 0.000 1.150 582 S CA -0.682 57.208 58.200 -0.517 0.000 1.058 582 S CB 0.814 63.724 63.200 -0.483 0.000 1.032 582 S HN 0.419 nan 8.310 nan 0.000 0.510 583 E N 2.767 122.340 120.200 -1.045 0.000 2.494 583 E HA 0.015 4.365 4.350 0.001 0.000 0.193 583 E C -0.875 175.201 176.600 -0.873 0.000 1.074 583 E CA 0.220 55.892 56.400 -1.215 0.000 0.867 583 E CB -0.194 28.960 29.700 -0.910 0.000 0.924 583 E HN 0.634 nan 8.360 nan 0.000 0.502 584 Y N 0.342 120.420 120.300 -0.368 0.000 2.598 584 Y HA 0.466 5.016 4.550 0.001 0.000 0.340 584 Y C -2.284 173.497 175.900 -0.199 0.000 1.038 584 Y CA -3.334 54.640 58.100 -0.209 0.000 1.100 584 Y CB 0.805 39.164 38.460 -0.168 0.000 1.281 584 Y HN -0.189 nan 8.280 nan 0.000 0.488 585 P HA 0.101 nan 4.420 nan 0.000 0.268 585 P C -0.879 176.416 177.300 -0.008 0.000 1.205 585 P CA 0.068 63.168 63.100 -0.000 0.000 0.771 585 P CB 0.544 32.253 31.700 0.014 0.000 0.858 586 Q N 1.211 120.996 119.800 -0.025 0.000 2.372 586 Q HA 0.472 4.813 4.340 0.001 0.000 0.273 586 Q C -0.702 175.285 176.000 -0.022 0.000 1.078 586 Q CA -0.322 55.480 55.803 -0.002 0.000 0.806 586 Q CB 2.215 30.965 28.738 0.019 0.000 1.332 586 Q HN 0.300 nan 8.270 nan 0.000 0.435 587 T N 0.529 115.074 114.554 -0.015 0.000 2.855 587 T HA 0.564 4.915 4.350 0.001 0.000 0.281 587 T C -0.324 174.336 174.700 -0.067 0.000 1.007 587 T CA -0.512 61.561 62.100 -0.044 0.000 1.009 587 T CB 1.467 70.320 68.868 -0.026 0.000 0.983 587 T HN 0.221 nan 8.240 nan 0.000 0.455 588 V N 3.865 123.707 119.914 -0.119 0.000 2.334 588 V HA 0.348 4.469 4.120 0.001 0.000 0.281 588 V C 0.935 176.995 176.094 -0.057 0.000 1.016 588 V CA -0.961 61.259 62.300 -0.134 0.000 0.832 588 V CB 1.095 32.709 31.823 -0.347 0.000 0.999 588 V HN 1.153 nan 8.190 nan 0.000 0.439 589 T N 2.619 117.172 114.554 -0.002 0.000 2.932 589 T HA 0.287 4.638 4.350 0.001 0.000 0.312 589 T C 1.486 176.230 174.700 0.074 0.000 1.071 589 T CA 0.234 62.355 62.100 0.036 0.000 1.128 589 T CB 1.368 70.267 68.868 0.052 0.000 0.984 589 T HN 0.802 nan 8.240 nan 0.000 0.549 590 A N 1.266 124.131 122.820 0.074 0.000 1.978 590 A HA -0.171 4.150 4.320 0.001 0.000 0.220 590 A C 2.284 179.931 177.584 0.105 0.000 1.170 590 A CA 1.808 53.893 52.037 0.080 0.000 0.636 590 A CB -1.276 17.764 19.000 0.067 0.000 0.810 590 A HN 1.093 nan 8.150 nan 0.000 0.448 591 H N 0.009 119.101 119.070 0.036 0.000 2.353 591 H HA -0.099 4.457 4.556 0.001 0.000 0.300 591 H C 1.911 177.272 175.328 0.055 0.000 1.090 591 H CA 2.047 58.117 56.048 0.037 0.000 1.327 591 H CB -0.282 29.491 29.762 0.018 0.000 1.383 591 H HN 0.415 nan 8.280 nan 0.000 0.508 592 T N 1.224 115.919 114.554 0.236 0.000 2.833 592 T HA -0.061 4.290 4.350 0.001 0.000 0.269 592 T C 2.022 176.867 174.700 0.242 0.000 1.054 592 T CA 0.999 63.220 62.100 0.202 0.000 1.135 592 T CB -0.091 68.875 68.868 0.163 0.000 0.869 592 T HN 0.254 nan 8.240 nan 0.000 0.466 593 L N 0.827 122.169 121.223 0.199 0.000 2.611 593 L HA 0.182 4.523 4.340 0.001 0.000 0.229 593 L C 2.265 179.207 176.870 0.120 0.000 1.137 593 L CA 0.070 55.032 54.840 0.204 0.000 0.901 593 L CB -0.377 41.773 42.059 0.151 0.000 1.098 593 L HN 0.216 nan 8.230 nan 0.000 0.456 594 Q N 0.662 120.496 119.800 0.056 0.000 2.248 594 Q HA -0.216 4.124 4.340 0.001 0.000 0.208 594 Q C 2.263 178.287 176.000 0.040 0.000 0.984 594 Q CA 1.709 57.519 55.803 0.012 0.000 0.875 594 Q CB -0.183 28.504 28.738 -0.085 0.000 0.910 594 Q HN 0.618 nan 8.270 nan 0.000 0.433 595 A N -0.280 122.583 122.820 0.072 0.000 2.169 595 A HA 0.039 4.360 4.320 0.001 0.000 0.212 595 A C 0.836 178.459 177.584 0.065 0.000 1.153 595 A CA 0.218 52.298 52.037 0.071 0.000 0.756 595 A CB 0.136 19.195 19.000 0.097 0.000 0.813 595 A HN 0.137 nan 8.150 nan 0.000 0.471 596 M N 0.948 120.587 119.600 0.065 0.000 2.247 596 M HA 0.284 4.765 4.480 0.001 0.000 0.326 596 M C -2.243 174.086 176.300 0.048 0.000 1.134 596 M CA -2.625 52.692 55.300 0.027 0.000 1.136 596 M CB -0.337 32.266 32.600 0.004 0.000 1.454 596 M HN 0.023 nan 8.290 nan 0.000 0.467 597 P HA 0.022 nan 4.420 nan 0.000 0.269 597 P C 0.586 177.921 177.300 0.059 0.000 1.215 597 P CA -0.036 63.102 63.100 0.063 0.000 0.780 597 P CB 0.075 31.757 31.700 -0.030 0.000 0.898 598 F N 0.098 120.055 119.950 0.012 0.000 2.202 598 F HA 0.007 4.534 4.527 0.001 0.000 0.301 598 F C 0.636 176.449 175.800 0.022 0.000 1.082 598 F CA 0.741 58.751 58.000 0.016 0.000 1.313 598 F CB -0.388 38.620 39.000 0.014 0.000 1.024 598 F HN 0.081 nan 8.300 nan 0.000 0.495 599 K N 0.383 120.286 120.400 -0.828 0.000 2.469 599 K HA 0.778 5.099 4.320 0.001 0.000 0.254 599 K C -1.411 174.968 176.600 -0.368 0.000 0.939 599 K CA -0.761 55.197 56.287 -0.548 0.000 0.812 599 K CB 2.386 34.483 32.500 -0.671 0.000 1.301 599 K HN 0.119 nan 8.250 nan 0.000 0.433 600 A N 1.442 124.157 122.820 -0.175 0.000 2.520 600 A HA 0.333 4.654 4.320 0.001 0.000 0.298 600 A C -1.677 175.906 177.584 -0.001 0.000 1.051 600 A CA -0.672 51.311 52.037 -0.090 0.000 0.690 600 A CB 1.139 20.093 19.000 -0.077 0.000 1.281 600 A HN 0.832 nan 8.150 nan 0.000 0.402 601 H N 1.468 120.504 119.070 -0.058 0.000 2.646 601 H HA 0.304 4.860 4.556 0.001 0.000 0.325 601 H C -1.251 174.090 175.328 0.021 0.000 1.075 601 H CA 0.233 56.272 56.048 -0.015 0.000 1.421 601 H CB 1.065 30.824 29.762 -0.005 0.000 1.461 601 H HN 0.698 nan 8.280 nan 0.000 0.525 602 D N 4.969 125.093 120.400 -0.459 0.000 2.359 602 D HA 0.081 4.721 4.640 0.001 0.000 0.230 602 D C 0.920 176.961 176.300 -0.432 0.000 1.118 602 D CA -0.471 53.348 54.000 -0.301 0.000 0.844 602 D CB 0.701 41.412 40.800 -0.149 0.000 1.059 602 D HN 0.584 nan 8.370 nan 0.000 0.493 603 L N 3.768 124.908 121.223 -0.138 0.000 2.275 603 L HA -0.099 4.242 4.340 0.001 0.000 0.215 603 L C 1.800 178.739 176.870 0.114 0.000 1.119 603 L CA 0.278 55.156 54.840 0.064 0.000 0.790 603 L CB -0.291 41.966 42.059 0.330 0.000 0.919 603 L HN 0.591 nan 8.230 nan 0.000 0.443 604 I N 0.186 120.739 120.570 -0.027 0.000 2.141 604 I HA -0.111 4.060 4.170 0.001 0.000 0.236 604 I C 2.490 178.595 176.117 -0.020 0.000 1.071 604 I CA 1.907 63.146 61.300 -0.102 0.000 1.345 604 I CB -1.648 36.168 38.000 -0.307 0.000 1.066 604 I HN 0.206 nan 8.210 nan 0.000 0.406 605 G N -0.954 107.800 108.800 -0.077 0.000 2.683 605 G HA2 0.194 4.154 3.960 0.001 0.000 0.213 605 G HA3 0.194 4.154 3.960 0.001 0.000 0.213 605 G C 1.385 176.249 174.900 -0.061 0.000 1.142 605 G CA 0.729 45.785 45.100 -0.074 0.000 0.793 605 G HN 0.648 nan 8.290 nan 0.000 0.534 606 G N -0.393 108.360 108.800 -0.079 0.000 2.179 606 G HA2 -0.270 3.690 3.960 0.001 0.000 0.260 606 G HA3 -0.270 3.690 3.960 0.001 0.000 0.260 606 G C 0.488 175.408 174.900 0.033 0.000 0.977 606 G CA 0.630 45.725 45.100 -0.009 0.000 0.641 606 G HN 0.622 nan 8.290 nan 0.000 0.533 607 K N 0.443 120.820 120.400 -0.037 0.000 2.090 607 K HA 0.568 4.888 4.320 0.001 0.000 0.249 607 K C 0.054 176.674 176.600 0.034 0.000 0.995 607 K CA -0.248 56.053 56.287 0.023 0.000 0.914 607 K CB 0.850 33.351 32.500 0.002 0.000 1.057 607 K HN 0.050 nan 8.250 nan 0.000 0.462 608 T N 1.480 116.082 114.554 0.081 0.000 2.806 608 T HA 0.263 4.614 4.350 0.001 0.000 0.290 608 T C -0.379 174.332 174.700 0.017 0.000 0.966 608 T CA -0.605 61.537 62.100 0.071 0.000 1.060 608 T CB 0.702 69.607 68.868 0.062 0.000 0.927 608 T HN 0.142 nan 8.240 nan 0.000 0.485 609 V N 2.855 122.766 119.914 -0.005 0.000 2.667 609 V HA 0.541 4.661 4.120 0.001 0.000 0.308 609 V C 0.352 176.437 176.094 -0.016 0.000 1.048 609 V CA -0.908 61.389 62.300 -0.005 0.000 0.928 609 V CB 2.009 33.834 31.823 0.002 0.000 1.004 609 V HN 0.870 nan 8.190 nan 0.000 0.444 610 S N 3.385 119.089 115.700 0.006 0.000 2.452 610 S HA 0.489 4.960 4.470 0.001 0.000 0.284 610 S C 0.421 175.039 174.600 0.029 0.000 1.171 610 S CA -0.586 57.626 58.200 0.021 0.000 1.064 610 S CB 0.296 63.523 63.200 0.046 0.000 0.967 610 S HN 0.612 nan 8.310 nan 0.000 0.484 611 L N 4.236 125.479 121.223 0.034 0.000 2.640 611 L HA 0.215 4.555 4.340 0.001 0.000 0.230 611 L C 0.910 177.824 176.870 0.073 0.000 1.123 611 L CA -0.111 54.759 54.840 0.051 0.000 0.900 611 L CB -0.396 41.688 42.059 0.042 0.000 1.146 611 L HN 0.674 nan 8.230 nan 0.000 0.484 612 N N 0.301 119.055 118.700 0.090 0.000 2.295 612 N HA 0.025 4.765 4.740 0.001 0.000 0.221 612 N C 0.017 175.568 175.510 0.068 0.000 1.129 612 N CA -0.316 52.789 53.050 0.092 0.000 0.836 612 N CB 0.214 38.776 38.487 0.125 0.000 1.040 612 N HN 0.492 nan 8.380 nan 0.000 0.494 613 Q N -2.213 117.621 119.800 0.057 0.000 2.575 613 Q HA 0.339 4.679 4.340 0.001 0.000 0.290 613 Q C -1.864 174.155 176.000 0.033 0.000 0.963 613 Q CA -1.028 54.801 55.803 0.044 0.000 0.783 613 Q CB 0.542 29.303 28.738 0.040 0.000 1.467 613 Q HN -0.148 nan 8.270 nan 0.000 0.402 614 D N 1.353 121.768 120.400 0.025 0.000 2.533 614 D HA 0.101 4.741 4.640 0.001 0.000 0.236 614 D C -0.734 175.561 176.300 -0.008 0.000 1.137 614 D CA 0.302 54.307 54.000 0.008 0.000 0.867 614 D CB 0.634 41.437 40.800 0.005 0.000 1.170 614 D HN 0.382 nan 8.370 nan 0.000 0.474 615 L N 2.928 124.129 121.223 -0.037 0.000 2.262 615 L HA 0.257 4.597 4.340 0.001 0.000 0.288 615 L C -0.380 176.444 176.870 -0.078 0.000 1.035 615 L CA -0.126 54.677 54.840 -0.061 0.000 0.820 615 L CB 1.231 43.226 42.059 -0.107 0.000 1.204 615 L HN 0.136 nan 8.230 nan 0.000 0.424 616 T N 6.567 121.092 114.554 -0.049 0.000 2.749 616 T HA 0.499 4.849 4.350 0.001 0.000 0.287 616 T C -0.055 174.619 174.700 -0.043 0.000 0.970 616 T CA -0.289 61.785 62.100 -0.044 0.000 0.980 616 T CB 0.510 69.364 68.868 -0.024 0.000 0.924 616 T HN 0.403 nan 8.240 nan 0.000 0.456 617 L N 3.600 124.792 121.223 -0.053 0.000 2.307 617 L HA 0.385 4.726 4.340 0.001 0.000 0.282 617 L C 0.775 177.621 176.870 -0.039 0.000 1.051 617 L CA -1.158 53.656 54.840 -0.044 0.000 0.804 617 L CB 0.970 43.000 42.059 -0.048 0.000 1.197 617 L HN 0.406 nan 8.230 nan 0.000 0.431 618 Q N 2.636 122.418 119.800 -0.029 0.000 2.492 618 Q HA 0.220 4.561 4.340 0.001 0.000 0.238 618 Q C -2.182 173.782 176.000 -0.059 0.000 1.045 618 Q CA -1.806 53.984 55.803 -0.023 0.000 0.934 618 Q CB 0.009 28.746 28.738 -0.000 0.000 1.276 618 Q HN 0.289 nan 8.270 nan 0.000 0.521 619 P HA -0.110 nan 4.420 nan 0.000 0.260 619 P C -0.830 176.377 177.300 -0.155 0.000 1.172 619 P CA 0.641 63.596 63.100 -0.242 0.000 0.760 619 P CB -0.064 31.533 31.700 -0.171 0.000 0.773 620 Y N -0.649 119.551 120.300 -0.167 0.000 4.538 620 Y HA -0.278 4.273 4.550 0.001 0.000 0.225 620 Y C 0.997 176.798 175.900 -0.165 0.000 1.074 620 Y CA 0.775 58.751 58.100 -0.208 0.000 1.942 620 Y CB -2.486 35.842 38.460 -0.219 0.000 1.618 620 Y HN 0.460 nan 8.280 nan 0.000 0.642 621 Q N 0.413 120.199 119.800 -0.023 0.000 2.340 621 Q HA 0.505 4.846 4.340 0.001 0.000 0.249 621 Q C -0.434 175.544 176.000 -0.036 0.000 0.957 621 Q CA -0.119 55.667 55.803 -0.029 0.000 0.882 621 Q CB 1.490 30.212 28.738 -0.026 0.000 1.235 621 Q HN 0.232 nan 8.270 nan 0.000 0.439 622 V N 5.163 125.037 119.914 -0.067 0.000 2.680 622 V HA 0.592 4.713 4.120 0.001 0.000 0.309 622 V C -1.105 174.927 176.094 -0.103 0.000 1.052 622 V CA -0.606 61.653 62.300 -0.068 0.000 0.908 622 V CB 1.935 33.674 31.823 -0.141 0.000 1.001 622 V HN 0.906 nan 8.190 nan 0.000 0.431 623 M N 6.348 125.955 119.600 0.012 0.000 2.395 623 M HA 0.486 4.967 4.480 0.001 0.000 0.307 623 M C -1.881 174.530 176.300 0.185 0.000 1.091 623 M CA -0.350 54.973 55.300 0.038 0.000 0.919 623 M CB 2.561 35.249 32.600 0.147 0.000 1.662 623 M HN 0.652 nan 8.290 nan 0.000 0.440 624 W N 5.090 126.354 121.300 -0.060 0.000 2.443 624 W HA 0.494 5.155 4.660 0.001 0.000 0.303 624 W C -1.376 175.070 176.519 -0.122 0.000 0.991 624 W CA -0.994 56.296 57.345 -0.091 0.000 1.522 624 W CB 0.309 29.800 29.460 0.051 0.000 1.315 624 W HN 0.453 nan 8.180 nan 0.000 0.419 625 L N 2.641 123.867 121.223 0.005 0.000 2.276 625 L HA 0.329 4.670 4.340 0.001 0.000 0.286 625 L C 0.827 177.639 176.870 -0.097 0.000 1.061 625 L CA -0.462 54.346 54.840 -0.054 0.000 0.807 625 L CB 0.923 42.931 42.059 -0.085 0.000 1.177 625 L HN 0.144 nan 8.230 nan 0.000 0.429 626 E N 4.217 124.393 120.200 -0.039 0.000 2.105 626 E HA 0.117 4.468 4.350 0.001 0.000 0.285 626 E C 0.693 177.247 176.600 -0.077 0.000 1.055 626 E CA -0.110 56.256 56.400 -0.057 0.000 0.843 626 E CB 0.961 30.675 29.700 0.024 0.000 1.067 626 E HN 0.603 nan 8.360 nan 0.000 0.398 627 I N -0.524 119.975 120.570 -0.118 0.000 3.956 627 I HA 0.478 4.648 4.170 0.001 0.000 0.333 627 I C 0.486 176.554 176.117 -0.083 0.000 1.302 627 I CA -0.303 60.931 61.300 -0.109 0.000 1.122 627 I CB 0.453 38.367 38.000 -0.143 0.000 1.013 627 I HN 0.279 nan 8.210 nan 0.000 0.405 628 A N 0.000 122.773 122.820 -0.078 0.000 2.254 628 A HA 0.000 4.321 4.320 0.001 0.000 0.244 628 A CA 0.000 52.003 52.037 -0.057 0.000 0.836 628 A CB 0.000 18.964 19.000 -0.060 0.000 0.831 628 A HN 0.000 nan 8.150 nan 0.000 0.486