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 1yv3_1_A DATA FIRST_RESID 2 DATA SEQUENCE NPIHDRTSDY HKYLKVKQGD SDLFKLTVSD KRYIWYNPDP KERDSYECGE DATA SEQUENCE IVSETSDSFT FKTVDXQDRQ VKKDDANQRN PIKFDGVEDM SELSYLNEPA DATA SEQUENCE VFHNLRVRYN QDLIYTYSGL FLVAVNPFKR IPIYTQEMVD IFKGRRRNEV DATA SEQUENCE APHIFAISDV AYRSMLDDRQ NQSLLITGES GAGKTENTKK VIQYLASVAG DATA SEQUENCE RXXXXXXXVL EQQILQANPI LEAFGNAKTT RNNNSSRFGK FIEIQFNSAG DATA SEQUENCE FISGASIQSY LLEKSRVVFQ SETERNYHIF YQLLAGATAE EKKALHLAGP DATA SEQUENCE ESFNYLNQSG CVDIKGVSDS EEFKITRQAM DIVGFSQEEQ MSIFKIIAGI DATA SEQUENCE LHLGNIKFEK GAGEGAVLKD KTALNAASTV FGVNPSVLEK ALMEPRILAG DATA SEQUENCE RDLVAQHLNV EKSSSSRDAL VKALYGRLFL WLVKKINNVL CQERKAYFIG DATA SEQUENCE VLDISGFEIF KVNSFEQLCI NYTNEKLQQF FNHHMFKLEQ EEYLKEKINW DATA SEQUENCE TFIDFGLDSQ ATIDLIDGRQ PPGILALLDE QSVFPNATDN TLITKLHSHF DATA SEQUENCE SKKNAKYEEP RFSKTEFGVT HYAGQVMYEI QDWLEKNKDP LQQDLELCFK DATA SEQUENCE DSSDNVVTKL FNDPNIASRA KKGANFITVA AQYKEQLASL MATLETTNPH DATA SEQUENCE FVRCIIPNNK QLPAKLEDKV VLDQLRCNGV LEGIRITRKG FPNRIIYXXF DATA SEQUENCE VXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXQYRFGI TKIFFR 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.472 175.510 -0.063 0.000 1.280 2 N CA 0.000 53.037 53.050 -0.021 0.000 0.885 2 N CB 0.000 38.513 38.487 0.043 0.000 1.341 3 P HA -0.096 nan 4.420 nan 0.000 0.221 3 P C 1.306 178.497 177.300 -0.181 0.000 1.145 3 P CA 0.845 63.893 63.100 -0.088 0.000 0.795 3 P CB 0.391 32.050 31.700 -0.068 0.000 0.775 4 I N -0.799 119.490 120.570 -0.467 0.000 2.361 4 I HA -0.221 3.948 4.170 -0.003 0.000 0.251 4 I C 1.815 177.772 176.117 -0.267 0.000 1.133 4 I CA 1.574 62.474 61.300 -0.668 0.000 1.413 4 I CB -0.709 36.783 38.000 -0.847 0.000 1.073 4 I HN 0.092 nan 8.210 nan 0.000 0.424 5 H N -1.600 117.487 119.070 0.029 0.000 2.586 5 H HA 0.126 4.680 4.556 -0.003 0.000 0.273 5 H C -0.050 175.258 175.328 -0.034 0.000 0.997 5 H CA -0.296 55.777 56.048 0.042 0.000 1.177 5 H CB 0.297 30.058 29.762 -0.002 0.000 1.471 5 H HN 0.059 nan 8.280 nan 0.000 0.538 6 D N 0.344 120.766 120.400 0.036 0.000 2.392 6 D HA 0.051 4.689 4.640 -0.003 0.000 0.228 6 D C 0.871 177.061 176.300 -0.183 0.000 1.074 6 D CA -0.293 53.680 54.000 -0.046 0.000 0.838 6 D CB 0.891 41.694 40.800 0.004 0.000 1.067 6 D HN -0.077 nan 8.370 nan 0.000 0.511 7 R N 1.423 121.727 120.500 -0.326 0.000 2.276 7 R HA 0.011 4.349 4.340 -0.003 0.000 0.203 7 R C 1.970 178.174 176.300 -0.160 0.000 1.017 7 R CA 1.251 57.060 56.100 -0.486 0.000 1.010 7 R CB -1.165 28.905 30.300 -0.384 0.000 0.900 7 R HN 0.752 nan 8.270 nan 0.000 0.469 8 T N -1.488 113.018 114.554 -0.080 0.000 3.081 8 T HA 0.016 4.364 4.350 -0.003 0.000 0.255 8 T C 1.166 175.878 174.700 0.021 0.000 1.113 8 T CA 0.451 62.536 62.100 -0.025 0.000 1.082 8 T CB -0.233 68.623 68.868 -0.020 0.000 0.939 8 T HN 0.406 nan 8.240 nan 0.000 0.506 9 S N 1.207 116.948 115.700 0.067 0.000 2.593 9 S HA 0.140 4.608 4.470 -0.003 0.000 0.269 9 S C 0.640 175.327 174.600 0.144 0.000 1.334 9 S CA -0.551 57.722 58.200 0.122 0.000 1.015 9 S CB 0.733 64.030 63.200 0.162 0.000 0.912 9 S HN 0.160 nan 8.310 nan 0.000 0.541 10 D N 0.409 120.912 120.400 0.171 0.000 2.149 10 D HA -0.130 4.508 4.640 -0.003 0.000 0.198 10 D C 1.435 177.896 176.300 0.269 0.000 0.990 10 D CA 1.568 55.708 54.000 0.232 0.000 0.839 10 D CB -0.483 40.511 40.800 0.323 0.000 0.948 10 D HN 0.801 nan 8.370 nan 0.000 0.460 11 Y N 1.275 121.661 120.300 0.144 0.000 2.097 11 Y HA -0.291 4.257 4.550 -0.003 0.000 0.282 11 Y C 2.486 178.413 175.900 0.045 0.000 1.152 11 Y CA 1.908 60.073 58.100 0.109 0.000 1.136 11 Y CB -0.389 38.102 38.460 0.052 0.000 0.975 11 Y HN 0.123 nan 8.280 nan 0.000 0.498 12 H N 0.206 119.349 119.070 0.121 0.000 2.353 12 H HA -0.155 4.399 4.556 -0.003 0.000 0.300 12 H C 2.284 177.528 175.328 -0.139 0.000 1.090 12 H CA 1.932 57.967 56.048 -0.022 0.000 1.327 12 H CB -0.015 29.783 29.762 0.060 0.000 1.383 12 H HN 0.384 nan 8.280 nan 0.000 0.508 13 K N 0.082 120.434 120.400 -0.080 0.000 2.097 13 K HA -0.163 4.156 4.320 -0.003 0.000 0.206 13 K C 1.085 177.412 176.600 -0.456 0.000 1.049 13 K CA 1.472 57.553 56.287 -0.343 0.000 0.933 13 K CB 0.103 32.238 32.500 -0.608 0.000 0.717 13 K HN 0.201 nan 8.250 nan 0.000 0.442 14 Y N -0.699 119.554 120.300 -0.078 0.000 2.442 14 Y HA 0.221 4.769 4.550 -0.003 0.000 0.250 14 Y C 1.285 177.081 175.900 -0.173 0.000 1.113 14 Y CA 0.009 58.041 58.100 -0.112 0.000 1.273 14 Y CB 0.665 39.075 38.460 -0.084 0.000 1.138 14 Y HN -0.057 nan 8.280 nan 0.000 0.522 15 L N -0.896 120.237 121.223 -0.150 0.000 2.781 15 L HA 0.224 4.562 4.340 -0.003 0.000 0.245 15 L C 0.073 176.760 176.870 -0.305 0.000 1.118 15 L CA 0.187 54.878 54.840 -0.248 0.000 0.918 15 L CB 0.447 42.270 42.059 -0.393 0.000 1.246 15 L HN -0.235 nan 8.230 nan 0.000 0.526 16 K N 0.621 120.825 120.400 -0.326 0.000 2.267 16 K HA 0.466 4.784 4.320 -0.003 0.000 0.246 16 K C -0.622 175.893 176.600 -0.142 0.000 0.954 16 K CA -0.758 55.363 56.287 -0.277 0.000 0.824 16 K CB 3.011 35.227 32.500 -0.472 0.000 1.167 16 K HN -0.347 nan 8.250 nan 0.000 0.431 17 V N 2.318 122.181 119.914 -0.086 0.000 2.572 17 V HA 0.023 4.141 4.120 -0.003 0.000 0.291 17 V C 0.895 176.980 176.094 -0.015 0.000 1.039 17 V CA -0.166 62.106 62.300 -0.046 0.000 1.055 17 V CB 0.529 32.338 31.823 -0.024 0.000 0.969 17 V HN 0.590 nan 8.190 nan 0.000 0.482 18 K N 3.501 123.890 120.400 -0.018 0.000 2.436 18 K HA 0.061 4.379 4.320 -0.003 0.000 0.275 18 K C 0.245 176.854 176.600 0.016 0.000 0.999 18 K CA -0.352 55.934 56.287 -0.002 0.000 0.980 18 K CB 0.428 32.916 32.500 -0.020 0.000 0.919 18 K HN 0.698 nan 8.250 nan 0.000 0.484 19 Q N 1.974 121.789 119.800 0.025 0.000 2.263 19 Q HA 0.101 4.439 4.340 -0.003 0.000 0.289 19 Q C -0.236 175.779 176.000 0.024 0.000 1.061 19 Q CA 0.574 56.394 55.803 0.028 0.000 0.927 19 Q CB 0.831 29.581 28.738 0.021 0.000 1.154 19 Q HN 0.670 nan 8.270 nan 0.000 0.378 20 G N 3.480 112.301 108.800 0.036 0.000 2.572 20 G HA2 0.321 4.279 3.960 -0.003 0.000 0.261 20 G HA3 0.321 4.279 3.960 -0.003 0.000 0.261 20 G C -0.662 174.265 174.900 0.046 0.000 1.197 20 G CA -0.217 44.908 45.100 0.042 0.000 0.870 20 G HN 0.868 nan 8.290 nan 0.000 0.548 21 D N -1.907 118.521 120.400 0.046 0.000 2.478 21 D HA 0.287 4.925 4.640 -0.003 0.000 0.263 21 D C 1.684 178.026 176.300 0.069 0.000 1.153 21 D CA 0.054 54.078 54.000 0.040 0.000 1.038 21 D CB 0.689 41.505 40.800 0.026 0.000 1.120 21 D HN 0.310 nan 8.370 nan 0.000 0.564 22 S N -1.732 113.997 115.700 0.047 0.000 2.399 22 S HA -0.183 4.285 4.470 -0.003 0.000 0.231 22 S C 1.816 176.490 174.600 0.122 0.000 1.022 22 S CA 1.652 59.893 58.200 0.068 0.000 0.983 22 S CB -1.582 61.626 63.200 0.013 0.000 0.803 22 S HN 0.690 nan 8.310 nan 0.000 0.480 23 D N 1.986 122.436 120.400 0.082 0.000 2.117 23 D HA 0.048 4.686 4.640 -0.003 0.000 0.197 23 D C 1.949 178.297 176.300 0.080 0.000 0.987 23 D CA 1.412 55.457 54.000 0.075 0.000 0.829 23 D CB -0.775 40.053 40.800 0.047 0.000 0.961 23 D HN 0.343 nan 8.370 nan 0.000 0.460 24 L N -0.800 120.471 121.223 0.080 0.000 2.046 24 L HA 0.032 4.370 4.340 -0.003 0.000 0.208 24 L C 2.246 179.174 176.870 0.096 0.000 1.077 24 L CA 1.782 56.663 54.840 0.069 0.000 0.747 24 L CB -0.720 41.374 42.059 0.058 0.000 0.896 24 L HN 0.432 nan 8.230 nan 0.000 0.432 25 F N 0.198 120.147 119.950 -0.002 0.000 2.134 25 F HA -0.248 4.278 4.527 -0.003 0.000 0.299 25 F C 2.309 178.110 175.800 0.001 0.000 1.097 25 F CA 1.816 59.815 58.000 -0.003 0.000 1.264 25 F CB -0.159 38.839 39.000 -0.004 0.000 1.001 25 F HN 0.011 nan 8.300 nan 0.000 0.479 26 K N 0.357 120.870 120.400 0.189 0.000 2.032 26 K HA -0.172 4.146 4.320 -0.003 0.000 0.209 26 K C 2.083 178.651 176.600 -0.054 0.000 1.048 26 K CA 1.907 58.233 56.287 0.066 0.000 0.927 26 K CB -0.446 32.119 32.500 0.109 0.000 0.712 26 K HN 0.347 nan 8.250 nan 0.000 0.441 27 L N 0.562 121.770 121.223 -0.024 0.000 2.131 27 L HA -0.167 4.171 4.340 -0.003 0.000 0.210 27 L C 2.172 178.991 176.870 -0.086 0.000 1.092 27 L CA 1.182 56.000 54.840 -0.037 0.000 0.759 27 L CB -0.616 41.430 42.059 -0.022 0.000 0.903 27 L HN 0.265 nan 8.230 nan 0.000 0.435 28 T N -0.680 113.783 114.554 -0.152 0.000 2.951 28 T HA -0.089 4.260 4.350 -0.003 0.000 0.268 28 T C 1.664 176.202 174.700 -0.269 0.000 1.073 28 T CA 1.388 63.371 62.100 -0.194 0.000 1.134 28 T CB -0.055 68.693 68.868 -0.199 0.000 0.884 28 T HN 0.365 nan 8.240 nan 0.000 0.479 29 V N -0.923 118.759 119.914 -0.387 0.000 3.647 29 V HA 0.329 4.447 4.120 -0.003 0.000 0.279 29 V C 1.006 177.005 176.094 -0.160 0.000 1.314 29 V CA -0.552 61.544 62.300 -0.339 0.000 1.125 29 V CB -0.461 31.034 31.823 -0.547 0.000 0.907 29 V HN 0.255 nan 8.190 nan 0.000 0.434 30 S N 1.509 117.147 115.700 -0.104 0.000 2.571 30 S HA 0.108 4.577 4.470 -0.003 0.000 0.298 30 S C 1.347 175.934 174.600 -0.022 0.000 1.280 30 S CA 0.977 59.157 58.200 -0.033 0.000 1.052 30 S CB 0.217 63.431 63.200 0.022 0.000 0.799 30 S HN 0.863 nan 8.310 nan 0.000 0.501 31 D N 3.946 124.334 120.400 -0.020 0.000 2.347 31 D HA 0.115 4.754 4.640 -0.003 0.000 0.215 31 D C 0.726 177.001 176.300 -0.041 0.000 0.976 31 D CA 0.575 54.561 54.000 -0.023 0.000 0.884 31 D CB -0.244 40.542 40.800 -0.023 0.000 0.915 31 D HN 0.720 nan 8.370 nan 0.000 0.526 32 K N -0.120 120.253 120.400 -0.045 0.000 2.380 32 K HA 0.469 4.787 4.320 -0.003 0.000 0.267 32 K C 0.106 176.574 176.600 -0.219 0.000 0.990 32 K CA 0.217 56.404 56.287 -0.167 0.000 0.946 32 K CB 0.819 33.213 32.500 -0.177 0.000 0.937 32 K HN 0.238 nan 8.250 nan 0.000 0.491 33 R N 1.334 121.560 120.500 -0.457 0.000 2.750 33 R HA 0.423 4.761 4.340 -0.003 0.000 0.281 33 R C -1.207 174.656 176.300 -0.728 0.000 0.972 33 R CA -0.800 55.072 56.100 -0.381 0.000 0.912 33 R CB 1.242 31.378 30.300 -0.272 0.000 1.187 33 R HN 0.465 nan 8.270 nan 0.000 0.464 34 Y N 0.049 120.188 120.300 -0.269 0.000 2.576 34 Y HA 0.643 5.191 4.550 -0.003 0.000 0.346 34 Y C -0.460 175.150 175.900 -0.483 0.000 1.018 34 Y CA -0.938 56.943 58.100 -0.364 0.000 1.050 34 Y CB 2.115 40.336 38.460 -0.398 0.000 1.280 34 Y HN 0.291 nan 8.280 nan 0.000 0.474 35 I N 0.646 120.994 120.570 -0.370 0.000 2.730 35 I HA 0.521 4.689 4.170 -0.003 0.000 0.298 35 I C -1.788 174.095 176.117 -0.390 0.000 1.089 35 I CA -1.389 59.649 61.300 -0.437 0.000 1.041 35 I CB 1.213 38.894 38.000 -0.532 0.000 1.235 35 I HN 0.742 nan 8.210 nan 0.000 0.423 36 W N 7.239 128.464 121.300 -0.126 0.000 2.331 36 W HA 0.617 5.275 4.660 -0.003 0.000 0.306 36 W C -0.551 176.026 176.519 0.097 0.000 1.162 36 W CA -0.268 57.041 57.345 -0.061 0.000 1.232 36 W CB 0.913 30.230 29.460 -0.238 0.000 1.235 36 W HN 0.734 nan 8.180 nan 0.000 0.479 37 Y N 0.208 120.702 120.300 0.324 0.000 2.576 37 Y HA 0.538 5.086 4.550 -0.003 0.000 0.346 37 Y C -0.988 175.070 175.900 0.263 0.000 1.018 37 Y CA -2.230 56.011 58.100 0.236 0.000 1.050 37 Y CB 0.943 39.412 38.460 0.014 0.000 1.280 37 Y HN 0.384 nan 8.280 nan 0.000 0.474 38 N N 4.147 122.911 118.700 0.107 0.000 2.420 38 N HA 0.273 5.011 4.740 -0.003 0.000 0.249 38 N C -2.256 173.327 175.510 0.123 0.000 1.033 38 N CA -1.504 51.483 53.050 -0.105 0.000 0.944 38 N CB 1.272 39.677 38.487 -0.137 0.000 1.113 38 N HN 0.500 nan 8.380 nan 0.000 0.502 39 P HA -0.181 nan 4.420 nan 0.000 0.216 39 P C -0.195 177.185 177.300 0.133 0.000 1.150 39 P CA 1.479 64.706 63.100 0.212 0.000 0.843 39 P CB 0.232 31.993 31.700 0.100 0.000 0.787 40 D N -1.485 118.941 120.400 0.043 0.000 2.440 40 D HA 0.119 4.757 4.640 -0.003 0.000 0.239 40 D C -1.762 174.537 176.300 -0.002 0.000 1.084 40 D CA -2.564 51.449 54.000 0.022 0.000 0.843 40 D CB 1.337 42.135 40.800 -0.003 0.000 1.097 40 D HN -0.011 nan 8.370 nan 0.000 0.531 41 P HA -0.086 nan 4.420 nan 0.000 0.228 41 P C 0.841 178.131 177.300 -0.017 0.000 1.151 41 P CA 0.737 63.842 63.100 0.009 0.000 0.770 41 P CB 0.153 31.874 31.700 0.034 0.000 0.786 42 K N -0.300 120.087 120.400 -0.022 0.000 2.400 42 K HA 0.190 4.508 4.320 -0.003 0.000 0.194 42 K C 1.352 177.921 176.600 -0.053 0.000 1.033 42 K CA 1.248 57.517 56.287 -0.030 0.000 1.021 42 K CB -0.848 31.639 32.500 -0.021 0.000 0.808 42 K HN 0.405 nan 8.250 nan 0.000 0.505 43 E N 1.646 121.801 120.200 -0.075 0.000 2.546 43 E HA 0.292 4.640 4.350 -0.003 0.000 0.227 43 E C 0.657 177.147 176.600 -0.185 0.000 1.009 43 E CA -0.689 55.645 56.400 -0.110 0.000 0.813 43 E CB 0.005 29.646 29.700 -0.098 0.000 1.269 43 E HN 0.381 nan 8.360 nan 0.000 0.432 44 R N 0.314 120.706 120.500 -0.179 0.000 2.280 44 R HA -0.024 4.314 4.340 -0.003 0.000 0.207 44 R C -0.086 175.956 176.300 -0.430 0.000 1.043 44 R CA 0.681 56.632 56.100 -0.249 0.000 1.006 44 R CB 0.445 30.673 30.300 -0.120 0.000 0.885 44 R HN 0.424 nan 8.270 nan 0.000 0.467 45 D N 0.190 120.398 120.400 -0.320 0.000 2.369 45 D HA 0.070 4.708 4.640 -0.003 0.000 0.211 45 D C 0.253 176.384 176.300 -0.281 0.000 1.077 45 D CA 0.372 54.212 54.000 -0.267 0.000 0.842 45 D CB 0.589 41.286 40.800 -0.171 0.000 0.947 45 D HN 0.137 nan 8.370 nan 0.000 0.509 46 S N 0.667 116.151 115.700 -0.361 0.000 2.448 46 S HA 0.510 4.978 4.470 -0.003 0.000 0.320 46 S C -0.632 173.785 174.600 -0.304 0.000 1.071 46 S CA -0.535 57.539 58.200 -0.211 0.000 1.113 46 S CB 0.297 63.415 63.200 -0.137 0.000 0.972 46 S HN -0.105 nan 8.310 nan 0.000 0.465 47 Y N 1.282 121.530 120.300 -0.087 0.000 2.468 47 Y HA 0.617 5.165 4.550 -0.003 0.000 0.342 47 Y C 0.486 176.341 175.900 -0.075 0.000 1.021 47 Y CA -0.617 57.424 58.100 -0.098 0.000 1.079 47 Y CB 1.621 40.046 38.460 -0.058 0.000 1.226 47 Y HN 0.559 nan 8.280 nan 0.000 0.460 48 E N 0.347 120.498 120.200 -0.081 0.000 2.378 48 E HA 0.337 4.685 4.350 -0.003 0.000 0.265 48 E C -1.309 175.364 176.600 0.122 0.000 0.932 48 E CA -0.846 55.549 56.400 -0.008 0.000 0.795 48 E CB 2.644 32.234 29.700 -0.184 0.000 1.296 48 E HN 0.611 nan 8.360 nan 0.000 0.438 49 C N 0.835 120.228 119.300 0.155 0.000 2.307 49 C HA 0.781 5.239 4.460 -0.003 0.000 0.340 49 C C 0.340 175.454 174.990 0.208 0.000 1.275 49 C CA 0.004 58.973 59.018 -0.082 0.000 1.811 49 C CB -0.794 26.716 27.740 -0.384 0.000 2.372 49 C HN 0.651 nan 8.230 nan 0.000 0.531 50 G N 4.175 113.102 108.800 0.212 0.000 2.495 50 G HA2 0.466 4.424 3.960 -0.003 0.000 0.318 50 G HA3 0.466 4.424 3.960 -0.003 0.000 0.318 50 G C -1.183 173.792 174.900 0.125 0.000 1.257 50 G CA -0.237 45.007 45.100 0.240 0.000 0.962 50 G HN 0.896 nan 8.290 nan 0.000 0.483 51 E N 1.936 122.197 120.200 0.102 0.000 2.324 51 E HA 0.130 4.478 4.350 -0.003 0.000 0.271 51 E C 0.121 176.617 176.600 -0.174 0.000 1.028 51 E CA -0.352 55.914 56.400 -0.224 0.000 0.890 51 E CB 0.571 30.142 29.700 -0.214 0.000 1.004 51 E HN 0.313 nan 8.360 nan 0.000 0.431 52 I N 5.703 126.081 120.570 -0.320 0.000 2.581 52 I HA -0.081 4.087 4.170 -0.003 0.000 0.285 52 I C 1.297 177.315 176.117 -0.164 0.000 1.129 52 I CA -0.080 61.088 61.300 -0.221 0.000 1.397 52 I CB 0.668 38.419 38.000 -0.414 0.000 1.399 52 I HN 0.514 nan 8.210 nan 0.000 0.537 53 V N 2.089 121.966 119.914 -0.062 0.000 3.621 53 V HA 0.248 4.366 4.120 -0.003 0.000 0.263 53 V C 0.596 176.678 176.094 -0.019 0.000 1.272 53 V CA 0.480 62.747 62.300 -0.055 0.000 1.080 53 V CB -0.153 31.643 31.823 -0.046 0.000 0.816 53 V HN 0.753 nan 8.190 nan 0.000 0.451 54 S N 0.264 115.978 115.700 0.024 0.000 2.615 54 S HA 0.723 5.191 4.470 -0.003 0.000 0.269 54 S C -1.168 173.516 174.600 0.141 0.000 1.161 54 S CA -0.253 57.979 58.200 0.054 0.000 0.817 54 S CB 2.394 65.609 63.200 0.026 0.000 1.131 54 S HN 0.824 nan 8.310 nan 0.000 0.467 55 E N -0.249 120.027 120.200 0.128 0.000 2.383 55 E HA 0.674 5.022 4.350 -0.003 0.000 0.275 55 E C -0.705 175.917 176.600 0.035 0.000 0.918 55 E CA -1.017 55.466 56.400 0.138 0.000 0.764 55 E CB 1.801 31.640 29.700 0.232 0.000 1.252 55 E HN 0.818 nan 8.360 nan 0.000 0.449 56 T N -1.474 113.067 114.554 -0.021 0.000 2.889 56 T HA 0.275 4.623 4.350 -0.003 0.000 0.278 56 T C 1.292 175.947 174.700 -0.076 0.000 0.995 56 T CA -0.045 62.031 62.100 -0.040 0.000 0.966 56 T CB 0.990 69.833 68.868 -0.042 0.000 1.237 56 T HN 0.587 nan 8.240 nan 0.000 0.591 57 S N 0.062 115.722 115.700 -0.065 0.000 2.442 57 S HA -0.115 4.353 4.470 -0.003 0.000 0.236 57 S C 1.089 175.618 174.600 -0.119 0.000 1.007 57 S CA 1.314 59.468 58.200 -0.077 0.000 0.965 57 S CB -0.677 62.493 63.200 -0.050 0.000 0.773 57 S HN 0.930 nan 8.310 nan 0.000 0.504 58 D N -0.298 120.024 120.400 -0.130 0.000 2.520 58 D HA 0.396 5.035 4.640 -0.003 0.000 0.223 58 D C 0.302 176.484 176.300 -0.197 0.000 1.186 58 D CA 0.404 54.315 54.000 -0.149 0.000 0.821 58 D CB -0.142 40.604 40.800 -0.090 0.000 1.072 58 D HN 0.516 nan 8.370 nan 0.000 0.518 59 S N -0.514 115.045 115.700 -0.234 0.000 2.618 59 S HA 0.688 5.156 4.470 -0.003 0.000 0.277 59 S C -1.326 173.126 174.600 -0.246 0.000 1.138 59 S CA -0.767 57.314 58.200 -0.199 0.000 0.844 59 S CB 1.315 64.478 63.200 -0.061 0.000 1.127 59 S HN -0.019 nan 8.310 nan 0.000 0.474 60 F N 1.176 121.154 119.950 0.046 0.000 2.546 60 F HA 0.698 5.223 4.527 -0.003 0.000 0.320 60 F C 0.417 176.274 175.800 0.095 0.000 1.076 60 F CA -0.632 57.407 58.000 0.064 0.000 0.928 60 F CB 2.505 41.554 39.000 0.080 0.000 1.189 60 F HN 0.401 nan 8.300 nan 0.000 0.465 61 T N 4.277 118.992 114.554 0.269 0.000 2.797 61 T HA 0.669 5.018 4.350 -0.003 0.000 0.279 61 T C -1.073 173.704 174.700 0.129 0.000 0.991 61 T CA -0.365 61.795 62.100 0.100 0.000 0.979 61 T CB 0.610 69.482 68.868 0.006 0.000 0.943 61 T HN 0.374 nan 8.240 nan 0.000 0.444 62 F N -0.093 119.819 119.950 -0.063 0.000 2.613 62 F HA 0.763 5.288 4.527 -0.003 0.000 0.314 62 F C -0.591 175.122 175.800 -0.145 0.000 1.075 62 F CA -1.557 56.369 58.000 -0.123 0.000 0.945 62 F CB 1.265 40.174 39.000 -0.151 0.000 1.310 62 F HN 0.167 nan 8.300 nan 0.000 0.467 63 K N 1.715 122.141 120.400 0.043 0.000 2.205 63 K HA 0.422 4.740 4.320 -0.003 0.000 0.279 63 K C -0.005 176.622 176.600 0.044 0.000 1.027 63 K CA -0.514 55.758 56.287 -0.024 0.000 0.932 63 K CB 1.427 33.938 32.500 0.018 0.000 1.032 63 K HN 0.879 nan 8.250 nan 0.000 0.466 64 T N -1.823 112.693 114.554 -0.064 0.000 2.847 64 T HA 0.204 4.552 4.350 -0.003 0.000 0.279 64 T C 1.742 176.536 174.700 0.156 0.000 0.984 64 T CA -0.463 61.643 62.100 0.010 0.000 0.988 64 T CB 0.749 69.596 68.868 -0.035 0.000 1.040 64 T HN 0.358 nan 8.240 nan 0.000 0.528 65 V N 0.501 120.588 119.914 0.288 0.000 2.392 65 V HA -0.019 4.100 4.120 -0.003 0.000 0.249 65 V C 1.167 177.339 176.094 0.131 0.000 1.059 65 V CA 2.238 64.663 62.300 0.208 0.000 1.051 65 V CB -1.468 30.486 31.823 0.218 0.000 0.658 65 V HN 1.086 nan 8.190 nan 0.000 0.455 69 D N 1.611 121.907 120.400 -0.174 0.000 2.253 69 D HA 0.678 5.316 4.640 -0.003 0.000 0.249 69 D C 0.152 176.228 176.300 -0.373 0.000 1.049 69 D CA -0.245 53.593 54.000 -0.269 0.000 0.929 69 D CB 0.974 41.662 40.800 -0.186 0.000 1.176 69 D HN 0.424 nan 8.370 nan 0.000 0.437 70 R N 0.544 120.653 120.500 -0.652 0.000 2.799 70 R HA 0.487 4.826 4.340 -0.003 0.000 0.270 70 R C -0.968 174.953 176.300 -0.632 0.000 1.010 70 R CA -0.869 54.818 56.100 -0.689 0.000 0.916 70 R CB 2.242 31.940 30.300 -1.002 0.000 1.228 70 R HN 0.383 nan 8.270 nan 0.000 0.469 71 Q N 1.296 120.921 119.800 -0.293 0.000 2.372 71 Q HA 0.615 4.953 4.340 -0.003 0.000 0.273 71 Q C -1.946 174.108 176.000 0.091 0.000 1.078 71 Q CA -0.700 55.066 55.803 -0.061 0.000 0.806 71 Q CB 2.732 31.442 28.738 -0.048 0.000 1.332 71 Q HN 0.386 nan 8.270 nan 0.000 0.435 72 V N 2.831 122.872 119.914 0.213 0.000 2.971 72 V HA 0.516 4.634 4.120 -0.003 0.000 0.309 72 V C -1.462 174.702 176.094 0.118 0.000 1.130 72 V CA -0.760 61.667 62.300 0.213 0.000 0.964 72 V CB 2.396 34.426 31.823 0.346 0.000 1.029 72 V HN 0.790 nan 8.190 nan 0.000 0.427 73 K N 3.350 123.786 120.400 0.060 0.000 2.382 73 K HA 0.290 4.608 4.320 -0.003 0.000 0.275 73 K C 1.023 177.599 176.600 -0.039 0.000 1.009 73 K CA 0.316 56.595 56.287 -0.013 0.000 0.970 73 K CB 0.524 33.020 32.500 -0.007 0.000 0.934 73 K HN 0.608 nan 8.250 nan 0.000 0.479 74 K N 1.184 121.483 120.400 -0.169 0.000 2.147 74 K HA -0.146 4.173 4.320 -0.003 0.000 0.205 74 K C 0.623 177.181 176.600 -0.070 0.000 1.049 74 K CA 1.418 57.560 56.287 -0.242 0.000 0.936 74 K CB 0.118 32.369 32.500 -0.416 0.000 0.722 74 K HN 0.517 nan 8.250 nan 0.000 0.446 75 D N 0.925 121.295 120.400 -0.051 0.000 2.264 75 D HA -0.098 4.540 4.640 -0.003 0.000 0.208 75 D C 0.814 177.124 176.300 0.017 0.000 0.966 75 D CA 1.035 55.026 54.000 -0.015 0.000 0.864 75 D CB 0.001 40.790 40.800 -0.018 0.000 0.933 75 D HN 0.164 nan 8.370 nan 0.000 0.499 76 D N -0.167 120.253 120.400 0.034 0.000 2.349 76 D HA 0.155 4.793 4.640 -0.003 0.000 0.214 76 D C 0.397 176.752 176.300 0.092 0.000 1.063 76 D CA 0.008 54.046 54.000 0.063 0.000 0.847 76 D CB 0.213 41.057 40.800 0.072 0.000 0.933 76 D HN 0.012 nan 8.370 nan 0.000 0.513 77 A N 1.033 123.910 122.820 0.095 0.000 2.366 77 A HA 0.281 4.599 4.320 -0.003 0.000 0.272 77 A C 0.299 177.922 177.584 0.065 0.000 1.135 77 A CA -0.455 51.654 52.037 0.120 0.000 0.804 77 A CB 0.331 19.481 19.000 0.250 0.000 1.064 77 A HN -0.056 nan 8.150 nan 0.000 0.499 78 N N 3.231 121.969 118.700 0.063 0.000 2.767 78 N HA 0.105 4.843 4.740 -0.003 0.000 0.238 78 N C -0.548 174.957 175.510 -0.008 0.000 1.083 78 N CA 0.028 53.110 53.050 0.052 0.000 0.964 78 N CB 0.981 39.531 38.487 0.105 0.000 1.252 78 N HN 0.707 nan 8.380 nan 0.000 0.512 79 Q N 0.841 120.527 119.800 -0.191 0.000 2.392 79 Q HA 0.104 4.442 4.340 -0.003 0.000 0.262 79 Q C 0.436 176.348 176.000 -0.147 0.000 1.003 79 Q CA 0.113 55.684 55.803 -0.387 0.000 0.888 79 Q CB 1.672 29.832 28.738 -0.964 0.000 1.260 79 Q HN 0.351 nan 8.270 nan 0.000 0.435 80 R N 2.401 122.768 120.500 -0.222 0.000 2.390 80 R HA 0.098 4.436 4.340 -0.003 0.000 0.291 80 R C -0.316 176.121 176.300 0.229 0.000 1.070 80 R CA -0.420 55.584 56.100 -0.160 0.000 1.014 80 R CB 0.601 30.474 30.300 -0.713 0.000 1.007 80 R HN 0.583 nan 8.270 nan 0.000 0.466 81 N N 4.365 123.267 118.700 0.337 0.000 2.479 81 N HA 0.092 4.831 4.740 -0.003 0.000 0.257 81 N C -2.315 173.353 175.510 0.264 0.000 1.232 81 N CA -0.900 52.324 53.050 0.289 0.000 0.920 81 N CB 0.631 39.207 38.487 0.148 0.000 1.105 81 N HN 0.485 nan 8.380 nan 0.000 0.444 82 P HA -0.034 nan 4.420 nan 0.000 0.264 82 P C 1.016 178.447 177.300 0.217 0.000 1.179 82 P CA 0.192 63.429 63.100 0.229 0.000 0.763 82 P CB 0.301 32.129 31.700 0.213 0.000 0.806 83 I N 1.868 122.493 120.570 0.091 0.000 3.001 83 I HA -0.167 4.001 4.170 -0.003 0.000 0.268 83 I C 1.622 177.766 176.117 0.044 0.000 1.267 83 I CA 0.814 62.162 61.300 0.080 0.000 1.472 83 I CB -0.774 37.236 38.000 0.016 0.000 1.089 83 I HN 0.245 nan 8.210 nan 0.000 0.468 84 K N 1.075 121.443 120.400 -0.053 0.000 2.280 84 K HA -0.119 4.200 4.320 -0.003 0.000 0.202 84 K C 1.277 177.751 176.600 -0.210 0.000 1.047 84 K CA 1.534 57.717 56.287 -0.174 0.000 0.942 84 K CB -0.625 31.686 32.500 -0.316 0.000 0.739 84 K HN 0.347 nan 8.250 nan 0.000 0.457 85 F N 2.011 121.978 119.950 0.028 0.000 2.710 85 F HA 0.101 4.627 4.527 -0.003 0.000 0.298 85 F C 0.028 175.861 175.800 0.055 0.000 1.137 85 F CA -0.212 57.810 58.000 0.037 0.000 1.444 85 F CB -0.072 38.951 39.000 0.039 0.000 1.111 85 F HN -0.090 nan 8.300 nan 0.000 0.580 86 D N 0.450 120.981 120.400 0.219 0.000 2.382 86 D HA 0.345 4.983 4.640 -0.003 0.000 0.259 86 D C 1.318 177.659 176.300 0.067 0.000 1.224 86 D CA 1.087 55.182 54.000 0.158 0.000 0.894 86 D CB 0.558 41.462 40.800 0.172 0.000 1.127 86 D HN 0.371 nan 8.370 nan 0.000 0.487 87 G N 1.538 110.357 108.800 0.031 0.000 2.176 87 G HA2 -0.250 3.708 3.960 -0.003 0.000 0.232 87 G HA3 -0.250 3.708 3.960 -0.003 0.000 0.232 87 G C 0.466 175.384 174.900 0.029 0.000 0.986 87 G CA -0.023 45.078 45.100 0.001 0.000 0.643 87 G HN 0.603 nan 8.290 nan 0.000 0.522 88 V N 0.977 120.939 119.914 0.080 0.000 2.814 88 V HA 0.198 4.316 4.120 -0.003 0.000 0.307 88 V C 1.649 177.787 176.094 0.073 0.000 1.089 88 V CA 1.635 63.997 62.300 0.103 0.000 1.212 88 V CB 0.900 32.840 31.823 0.194 0.000 0.912 88 V HN 0.522 nan 8.190 nan 0.000 0.497 89 E N 2.898 123.147 120.200 0.082 0.000 2.208 89 E HA -0.029 4.319 4.350 -0.003 0.000 0.193 89 E C 0.021 176.708 176.600 0.144 0.000 0.988 89 E CA 0.730 57.182 56.400 0.087 0.000 0.828 89 E CB 0.224 29.995 29.700 0.118 0.000 0.763 89 E HN 0.739 nan 8.360 nan 0.000 0.478 90 D N -0.487 120.004 120.400 0.152 0.000 2.542 90 D HA 0.155 4.793 4.640 -0.003 0.000 0.252 90 D C 0.349 176.699 176.300 0.084 0.000 1.222 90 D CA -0.243 53.847 54.000 0.150 0.000 0.895 90 D CB 1.081 41.965 40.800 0.139 0.000 1.207 90 D HN -0.120 nan 8.370 nan 0.000 0.558 91 M N 1.527 121.155 119.600 0.046 0.000 2.630 91 M HA -0.082 4.396 4.480 -0.003 0.000 0.254 91 M C 1.801 178.100 176.300 -0.001 0.000 1.092 91 M CA 0.426 55.738 55.300 0.020 0.000 1.087 91 M CB -0.004 32.600 32.600 0.008 0.000 1.453 91 M HN 0.386 nan 8.290 nan 0.000 0.509 92 S N 0.147 115.847 115.700 -0.000 0.000 2.507 92 S HA -0.104 4.364 4.470 -0.003 0.000 0.235 92 S C 1.321 175.917 174.600 -0.006 0.000 0.988 92 S CA 0.842 59.039 58.200 -0.004 0.000 0.944 92 S CB -0.386 62.809 63.200 -0.008 0.000 0.762 92 S HN 0.559 nan 8.310 nan 0.000 0.526 93 E N 0.598 120.806 120.200 0.014 0.000 2.435 93 E HA 0.200 4.548 4.350 -0.003 0.000 0.195 93 E C -0.014 176.512 176.600 -0.123 0.000 1.029 93 E CA -0.177 56.247 56.400 0.039 0.000 0.865 93 E CB -0.099 29.694 29.700 0.156 0.000 0.833 93 E HN 0.570 nan 8.360 nan 0.000 0.510 94 L N 1.308 122.383 121.223 -0.247 0.000 2.514 94 L HA -0.045 4.293 4.340 -0.003 0.000 0.280 94 L C 1.484 177.990 176.870 -0.607 0.000 1.223 94 L CA -0.208 54.273 54.840 -0.598 0.000 0.864 94 L CB 0.797 42.680 42.059 -0.292 0.000 1.118 94 L HN 0.035 nan 8.230 nan 0.000 0.494 95 S N 1.226 116.360 115.700 -0.944 0.000 2.368 95 S HA -0.073 4.395 4.470 -0.003 0.000 0.224 95 S C -0.076 174.262 174.600 -0.436 0.000 1.029 95 S CA 1.141 58.956 58.200 -0.643 0.000 0.988 95 S CB -0.074 62.595 63.200 -0.884 0.000 0.838 95 S HN 0.355 nan 8.310 nan 0.000 0.462 96 Y N 0.593 120.798 120.300 -0.158 0.000 2.334 96 Y HA 0.523 5.071 4.550 -0.003 0.000 0.336 96 Y C -0.261 175.612 175.900 -0.045 0.000 0.960 96 Y CA -1.365 56.702 58.100 -0.054 0.000 1.164 96 Y CB 0.924 39.380 38.460 -0.006 0.000 1.155 96 Y HN -0.088 nan 8.280 nan 0.000 0.478 97 L N 6.276 127.580 121.223 0.135 0.000 2.297 97 L HA 0.679 5.018 4.340 -0.003 0.000 0.277 97 L C -1.040 175.884 176.870 0.090 0.000 1.040 97 L CA -0.320 54.570 54.840 0.083 0.000 0.867 97 L CB -1.011 41.088 42.059 0.067 0.000 1.244 97 L HN 0.983 nan 8.230 nan 0.000 0.433 98 N N 0.705 119.449 118.700 0.073 0.000 2.853 98 N HA 0.397 5.135 4.740 -0.003 0.000 0.258 98 N C 0.371 175.873 175.510 -0.014 0.000 1.444 98 N CA -0.519 52.555 53.050 0.041 0.000 0.837 98 N CB 0.881 39.395 38.487 0.044 0.000 1.489 98 N HN 0.301 nan 8.380 nan 0.000 0.529 99 E N -0.644 119.531 120.200 -0.042 0.000 2.023 99 E HA -0.109 4.239 4.350 -0.003 0.000 0.196 99 E C -0.928 175.544 176.600 -0.213 0.000 1.003 99 E CA 1.706 58.061 56.400 -0.075 0.000 0.809 99 E CB -0.844 28.842 29.700 -0.023 0.000 0.755 99 E HN 0.599 nan 8.360 nan 0.000 0.449 100 P HA -0.150 nan 4.420 nan 0.000 0.218 100 P C 1.014 177.873 177.300 -0.736 0.000 1.149 100 P CA 1.614 64.169 63.100 -0.908 0.000 0.817 100 P CB 0.082 30.780 31.700 -1.670 0.000 0.785 101 A N -0.059 122.531 122.820 -0.383 0.000 1.897 101 A HA -0.068 4.251 4.320 -0.003 0.000 0.215 101 A C 2.462 180.042 177.584 -0.006 0.000 1.181 101 A CA 1.489 53.494 52.037 -0.053 0.000 0.620 101 A CB -1.536 17.555 19.000 0.152 0.000 0.821 101 A HN 0.050 nan 8.150 nan 0.000 0.443 102 V N -1.114 118.791 119.914 -0.016 0.000 2.358 102 V HA -0.208 3.910 4.120 -0.003 0.000 0.246 102 V C 2.280 178.387 176.094 0.023 0.000 1.047 102 V CA 2.033 64.345 62.300 0.019 0.000 1.035 102 V CB -0.923 30.923 31.823 0.040 0.000 0.658 102 V HN 0.636 nan 8.190 nan 0.000 0.452 103 F N 1.065 120.920 119.950 -0.157 0.000 2.171 103 F HA -0.199 4.326 4.527 -0.003 0.000 0.300 103 F C 2.404 178.107 175.800 -0.161 0.000 1.090 103 F CA 2.215 60.115 58.000 -0.167 0.000 1.293 103 F CB -0.640 38.234 39.000 -0.210 0.000 1.013 103 F HN 0.349 nan 8.300 nan 0.000 0.486 104 H N -0.241 118.587 119.070 -0.403 0.000 2.353 104 H HA -0.153 4.402 4.556 -0.003 0.000 0.300 104 H C 2.147 177.325 175.328 -0.250 0.000 1.090 104 H CA 2.208 57.996 56.048 -0.434 0.000 1.327 104 H CB -0.581 29.002 29.762 -0.298 0.000 1.383 104 H HN 0.318 nan 8.280 nan 0.000 0.508 105 N N -0.250 118.353 118.700 -0.161 0.000 2.120 105 N HA -0.102 4.636 4.740 -0.003 0.000 0.188 105 N C 1.843 177.234 175.510 -0.198 0.000 1.024 105 N CA 1.307 54.271 53.050 -0.142 0.000 0.852 105 N CB -0.199 38.281 38.487 -0.011 0.000 1.003 105 N HN 0.408 nan 8.380 nan 0.000 0.424 106 L N 0.016 121.119 121.223 -0.201 0.000 2.083 106 L HA -0.101 4.237 4.340 -0.003 0.000 0.209 106 L C 2.615 179.331 176.870 -0.257 0.000 1.083 106 L CA 0.962 55.692 54.840 -0.182 0.000 0.752 106 L CB -0.411 41.570 42.059 -0.131 0.000 0.899 106 L HN 0.267 nan 8.230 nan 0.000 0.433 107 R N 0.127 120.341 120.500 -0.476 0.000 2.075 107 R HA -0.121 4.217 4.340 -0.003 0.000 0.232 107 R C 2.191 178.322 176.300 -0.281 0.000 1.126 107 R CA 1.319 57.137 56.100 -0.470 0.000 0.963 107 R CB -0.137 29.716 30.300 -0.746 0.000 0.858 107 R HN 0.139 nan 8.270 nan 0.000 0.435 108 V N 1.387 121.081 119.914 -0.367 0.000 2.343 108 V HA -0.219 3.899 4.120 -0.003 0.000 0.247 108 V C 2.458 178.470 176.094 -0.137 0.000 1.051 108 V CA 1.971 64.119 62.300 -0.254 0.000 1.036 108 V CB -0.505 31.147 31.823 -0.286 0.000 0.654 108 V HN 0.397 nan 8.190 nan 0.000 0.451 109 R N -1.311 119.118 120.500 -0.119 0.000 2.075 109 R HA -0.165 4.173 4.340 -0.003 0.000 0.232 109 R C 2.344 178.617 176.300 -0.044 0.000 1.126 109 R CA 1.862 57.917 56.100 -0.074 0.000 0.963 109 R CB -0.518 29.741 30.300 -0.068 0.000 0.858 109 R HN 0.559 nan 8.270 nan 0.000 0.435 110 Y N 2.284 122.487 120.300 -0.161 0.000 2.224 110 Y HA -0.161 4.388 4.550 -0.003 0.000 0.289 110 Y C 1.749 177.583 175.900 -0.109 0.000 1.146 110 Y CA 1.382 59.398 58.100 -0.140 0.000 1.182 110 Y CB -0.161 38.215 38.460 -0.140 0.000 0.983 110 Y HN 0.021 nan 8.280 nan 0.000 0.524 111 N N 0.258 118.964 118.700 0.009 0.000 2.348 111 N HA -0.166 4.572 4.740 -0.003 0.000 0.185 111 N C 0.878 176.332 175.510 -0.093 0.000 1.019 111 N CA 1.358 54.380 53.050 -0.047 0.000 0.880 111 N CB -0.252 38.218 38.487 -0.029 0.000 0.965 111 N HN 0.582 nan 8.380 nan 0.000 0.437 112 Q N 0.116 119.854 119.800 -0.105 0.000 2.188 112 Q HA 0.071 4.409 4.340 -0.003 0.000 0.212 112 Q C -0.772 175.151 176.000 -0.130 0.000 0.846 112 Q CA -0.219 55.524 55.803 -0.100 0.000 0.989 112 Q CB 0.581 29.271 28.738 -0.080 0.000 1.114 112 Q HN 0.108 nan 8.270 nan 0.000 0.488 113 D N 0.211 120.482 120.400 -0.215 0.000 2.945 113 D HA -0.183 4.455 4.640 -0.003 0.000 0.225 113 D C -0.822 175.351 176.300 -0.212 0.000 1.158 113 D CA 0.898 54.742 54.000 -0.259 0.000 0.805 113 D CB -1.221 39.477 40.800 -0.170 0.000 1.098 113 D HN 0.354 nan 8.370 nan 0.000 0.426 114 L N 1.329 122.445 121.223 -0.178 0.000 2.288 114 L HA 0.340 4.678 4.340 -0.003 0.000 0.283 114 L C 2.073 178.843 176.870 -0.166 0.000 1.072 114 L CA -0.517 54.230 54.840 -0.154 0.000 0.862 114 L CB 0.497 42.490 42.059 -0.110 0.000 1.245 114 L HN 0.082 nan 8.230 nan 0.000 0.432 115 I N -1.347 119.049 120.570 -0.288 0.000 3.419 115 I HA 0.073 4.242 4.170 -0.003 0.000 0.286 115 I C -0.139 175.746 176.117 -0.388 0.000 1.268 115 I CA 0.292 61.392 61.300 -0.334 0.000 1.414 115 I CB 0.044 37.735 38.000 -0.516 0.000 1.074 115 I HN 0.224 nan 8.210 nan 0.000 0.457 116 Y N 1.875 122.065 120.300 -0.183 0.000 2.341 116 Y HA 0.627 5.175 4.550 -0.003 0.000 0.337 116 Y C -0.061 175.684 175.900 -0.258 0.000 1.014 116 Y CA -0.970 56.988 58.100 -0.237 0.000 1.111 116 Y CB 1.735 40.000 38.460 -0.326 0.000 1.194 116 Y HN -0.087 nan 8.280 nan 0.000 0.462 117 T N 2.774 117.263 114.554 -0.108 0.000 2.952 117 T HA 0.363 4.711 4.350 -0.003 0.000 0.305 117 T C -1.283 173.283 174.700 -0.224 0.000 1.064 117 T CA -0.934 61.064 62.100 -0.169 0.000 1.008 117 T CB 0.642 69.469 68.868 -0.068 0.000 1.078 117 T HN 0.172 nan 8.240 nan 0.000 0.459 118 Y N 1.606 121.903 120.300 -0.005 0.000 2.336 118 Y HA 0.455 5.003 4.550 -0.003 0.000 0.331 118 Y C 1.229 177.035 175.900 -0.156 0.000 1.211 118 Y CA -0.614 57.443 58.100 -0.072 0.000 1.346 118 Y CB 0.963 39.394 38.460 -0.050 0.000 1.271 118 Y HN 0.625 nan 8.280 nan 0.000 0.538 119 S N 2.050 117.653 115.700 -0.162 0.000 2.112 119 S HA 0.555 5.023 4.470 -0.003 0.000 0.151 119 S C 0.383 174.622 174.600 -0.601 0.000 1.723 119 S CA 0.045 58.017 58.200 -0.380 0.000 1.263 119 S CB -0.706 62.257 63.200 -0.395 0.000 1.194 119 S HN 1.329 nan 8.310 nan 0.000 0.419 120 G N 3.415 112.066 108.800 -0.247 0.000 2.543 120 G HA2 -0.292 3.666 3.960 -0.003 0.000 0.286 120 G HA3 -0.292 3.666 3.960 -0.003 0.000 0.286 120 G C 0.583 175.381 174.900 -0.171 0.000 1.153 120 G CA 0.329 45.324 45.100 -0.174 0.000 0.968 120 G HN 0.868 nan 8.290 nan 0.000 0.544 121 L N 1.237 122.414 121.223 -0.077 0.000 2.492 121 L HA 0.354 4.692 4.340 -0.003 0.000 0.223 121 L C 1.167 178.166 176.870 0.215 0.000 1.132 121 L CA 0.616 55.496 54.840 0.066 0.000 0.850 121 L CB -0.424 41.726 42.059 0.152 0.000 0.966 121 L HN 0.429 nan 8.230 nan 0.000 0.454 122 F N -1.838 118.242 119.950 0.217 0.000 2.598 122 F HA 0.662 5.187 4.527 -0.003 0.000 0.327 122 F C -0.687 175.319 175.800 0.343 0.000 1.057 122 F CA -1.970 56.212 58.000 0.304 0.000 0.957 122 F CB 0.799 40.017 39.000 0.362 0.000 1.278 122 F HN -0.381 nan 8.300 nan 0.000 0.484 123 L N 2.342 123.855 121.223 0.483 0.000 2.307 123 L HA 0.721 5.059 4.340 -0.003 0.000 0.282 123 L C -1.014 176.024 176.870 0.280 0.000 1.051 123 L CA -0.610 54.409 54.840 0.300 0.000 0.804 123 L CB 1.479 43.672 42.059 0.222 0.000 1.197 123 L HN 0.593 nan 8.230 nan 0.000 0.431 124 V N 4.575 124.585 119.914 0.160 0.000 2.483 124 V HA 0.833 4.951 4.120 -0.003 0.000 0.295 124 V C 0.059 176.221 176.094 0.113 0.000 1.035 124 V CA -0.350 62.035 62.300 0.142 0.000 0.896 124 V CB 1.259 33.142 31.823 0.099 0.000 0.986 124 V HN 0.963 nan 8.190 nan 0.000 0.447 125 A N 4.527 127.402 122.820 0.093 0.000 2.375 125 A HA 0.772 5.090 4.320 -0.003 0.000 0.291 125 A C -0.937 176.606 177.584 -0.068 0.000 1.160 125 A CA -0.463 51.585 52.037 0.019 0.000 0.747 125 A CB 1.352 20.434 19.000 0.137 0.000 1.170 125 A HN 0.626 nan 8.150 nan 0.000 0.458 126 V N 3.349 123.194 119.914 -0.114 0.000 2.370 126 V HA 0.222 4.340 4.120 -0.003 0.000 0.279 126 V C 0.432 176.490 176.094 -0.060 0.000 1.029 126 V CA -0.985 61.263 62.300 -0.088 0.000 0.870 126 V CB 1.299 33.052 31.823 -0.116 0.000 0.984 126 V HN 0.895 nan 8.190 nan 0.000 0.451 127 N N 7.887 126.502 118.700 -0.142 0.000 2.440 127 N HA 0.090 4.828 4.740 -0.003 0.000 0.265 127 N C -1.231 174.214 175.510 -0.108 0.000 1.239 127 N CA -1.479 51.401 53.050 -0.283 0.000 0.909 127 N CB 1.543 39.656 38.487 -0.623 0.000 1.066 127 N HN 0.350 nan 8.380 nan 0.000 0.474 128 P HA 0.008 nan 4.420 nan 0.000 0.227 128 P C -0.089 177.263 177.300 0.087 0.000 1.161 128 P CA 0.231 63.304 63.100 -0.046 0.000 0.788 128 P CB -0.022 31.578 31.700 -0.167 0.000 0.822 129 F N 0.277 120.250 119.950 0.037 0.000 3.079 129 F HA -0.265 4.260 4.527 -0.003 0.000 0.274 129 F C 0.718 176.517 175.800 -0.001 0.000 0.940 129 F CA 1.202 59.216 58.000 0.024 0.000 0.932 129 F CB -2.183 36.843 39.000 0.044 0.000 0.891 129 F HN 0.231 nan 8.300 nan 0.000 0.722 130 K N -3.002 117.465 120.400 0.112 0.000 2.642 130 K HA 0.855 5.174 4.320 -0.003 0.000 0.290 130 K C -0.325 176.282 176.600 0.011 0.000 1.006 130 K CA -0.841 55.480 56.287 0.055 0.000 0.869 130 K CB 1.069 33.585 32.500 0.027 0.000 1.499 130 K HN 0.097 nan 8.250 nan 0.000 0.403 131 R N 1.407 121.912 120.500 0.009 0.000 2.389 131 R HA 0.573 4.911 4.340 -0.003 0.000 0.295 131 R C -0.204 176.071 176.300 -0.041 0.000 1.075 131 R CA -0.034 56.070 56.100 0.005 0.000 1.005 131 R CB -0.444 29.862 30.300 0.010 0.000 0.987 131 R HN 0.547 nan 8.270 nan 0.000 0.452 132 I N 4.028 124.567 120.570 -0.051 0.000 2.498 132 I HA 0.376 4.544 4.170 -0.003 0.000 0.290 132 I C -1.839 174.138 176.117 -0.233 0.000 1.032 132 I CA -2.330 58.869 61.300 -0.169 0.000 1.073 132 I CB 3.154 41.038 38.000 -0.193 0.000 1.251 132 I HN 0.572 nan 8.210 nan 0.000 0.426 133 P HA 0.198 nan 4.420 nan 0.000 0.220 133 P C 0.312 177.407 177.300 -0.342 0.000 1.806 133 P CA 0.190 63.069 63.100 -0.368 0.000 0.976 133 P CB -0.481 30.899 31.700 -0.532 0.000 1.952 134 I N -4.423 115.908 120.570 -0.398 0.000 4.009 134 I HA 0.304 4.472 4.170 -0.003 0.000 0.331 134 I C -0.312 175.597 176.117 -0.346 0.000 1.462 134 I CA -0.515 60.562 61.300 -0.370 0.000 1.117 134 I CB 0.005 37.721 38.000 -0.473 0.000 1.091 134 I HN -0.202 nan 8.210 nan 0.000 0.410 135 Y N 1.595 121.985 120.300 0.151 0.000 2.706 135 Y HA 0.302 4.850 4.550 -0.003 0.000 0.255 135 Y C 1.384 177.477 175.900 0.322 0.000 1.163 135 Y CA -0.853 57.418 58.100 0.285 0.000 1.174 135 Y CB -0.324 38.241 38.460 0.176 0.000 1.200 135 Y HN 0.176 nan 8.280 nan 0.000 0.544 136 T N -3.193 111.560 114.554 0.332 0.000 2.754 136 T HA 0.043 4.391 4.350 -0.003 0.000 0.286 136 T C 1.288 176.125 174.700 0.229 0.000 0.997 136 T CA -0.357 61.882 62.100 0.232 0.000 0.982 136 T CB 1.047 70.009 68.868 0.157 0.000 1.027 136 T HN 0.128 nan 8.240 nan 0.000 0.529 137 Q N 0.218 120.102 119.800 0.140 0.000 2.170 137 Q HA -0.097 4.241 4.340 -0.003 0.000 0.203 137 Q C 1.940 177.996 176.000 0.094 0.000 0.976 137 Q CA 1.801 57.655 55.803 0.085 0.000 0.858 137 Q CB -0.526 28.238 28.738 0.045 0.000 0.907 137 Q HN 0.853 nan 8.270 nan 0.000 0.433 138 E N -0.930 119.341 120.200 0.117 0.000 2.106 138 E HA -0.136 4.212 4.350 -0.003 0.000 0.192 138 E C 1.754 178.460 176.600 0.176 0.000 0.984 138 E CA 1.308 57.779 56.400 0.118 0.000 0.806 138 E CB -0.123 29.645 29.700 0.113 0.000 0.750 138 E HN 0.335 nan 8.360 nan 0.000 0.458 139 M N 0.176 119.932 119.600 0.260 0.000 2.132 139 M HA -0.086 4.392 4.480 -0.003 0.000 0.263 139 M C 2.302 178.888 176.300 0.476 0.000 1.065 139 M CA 0.952 56.496 55.300 0.407 0.000 1.122 139 M CB -0.668 32.201 32.600 0.447 0.000 1.365 139 M HN 0.052 nan 8.290 nan 0.000 0.411 140 V N 1.200 121.298 119.914 0.307 0.000 2.278 140 V HA -0.308 3.810 4.120 -0.003 0.000 0.251 140 V C 1.923 178.095 176.094 0.130 0.000 1.062 140 V CA 2.107 64.439 62.300 0.054 0.000 1.038 140 V CB -0.849 30.855 31.823 -0.199 0.000 0.646 140 V HN 0.376 nan 8.190 nan 0.000 0.447 141 D N -0.480 119.972 120.400 0.087 0.000 2.219 141 D HA -0.047 4.591 4.640 -0.003 0.000 0.205 141 D C 2.033 178.358 176.300 0.042 0.000 0.970 141 D CA 1.025 55.047 54.000 0.037 0.000 0.851 141 D CB -0.110 40.700 40.800 0.017 0.000 0.943 141 D HN 0.428 nan 8.370 nan 0.000 0.488 142 I N -0.225 120.382 120.570 0.061 0.000 2.315 142 I HA -0.216 3.952 4.170 -0.003 0.000 0.248 142 I C 1.766 177.777 176.117 -0.177 0.000 1.117 142 I CA 0.774 62.011 61.300 -0.105 0.000 1.404 142 I CB -0.135 37.749 38.000 -0.193 0.000 1.071 142 I HN -0.115 nan 8.210 nan 0.000 0.419 143 F N 0.959 120.958 119.950 0.082 0.000 2.512 143 F HA 0.027 4.552 4.527 -0.003 0.000 0.296 143 F C 1.465 177.353 175.800 0.147 0.000 1.110 143 F CA 0.382 58.446 58.000 0.106 0.000 1.446 143 F CB -0.143 38.917 39.000 0.100 0.000 1.092 143 F HN -0.158 nan 8.300 nan 0.000 0.554 144 K N 0.534 121.091 120.400 0.261 0.000 2.453 144 K HA 0.189 4.507 4.320 -0.003 0.000 0.280 144 K C 1.179 177.845 176.600 0.111 0.000 1.045 144 K CA 0.925 57.318 56.287 0.177 0.000 1.059 144 K CB -0.085 32.429 32.500 0.023 0.000 0.901 144 K HN 0.398 nan 8.250 nan 0.000 0.475 145 G N 3.512 112.393 108.800 0.136 0.000 2.184 145 G HA2 -0.239 3.719 3.960 -0.003 0.000 0.264 145 G HA3 -0.239 3.719 3.960 -0.003 0.000 0.264 145 G C -0.211 174.722 174.900 0.055 0.000 0.975 145 G CA -0.044 45.105 45.100 0.081 0.000 0.642 145 G HN 0.556 nan 8.290 nan 0.000 0.536 146 R N 0.709 121.249 120.500 0.067 0.000 2.357 146 R HA 0.502 4.840 4.340 -0.003 0.000 0.296 146 R C 0.978 177.309 176.300 0.052 0.000 1.052 146 R CA -0.701 55.417 56.100 0.029 0.000 0.988 146 R CB 0.420 30.705 30.300 -0.024 0.000 1.025 146 R HN 0.453 nan 8.270 nan 0.000 0.469 147 R N 1.193 121.708 120.500 0.025 0.000 2.734 147 R HA 0.058 4.396 4.340 -0.003 0.000 0.266 147 R C 1.588 177.910 176.300 0.037 0.000 1.044 147 R CA -0.118 55.994 56.100 0.020 0.000 1.128 147 R CB 0.601 30.902 30.300 0.002 0.000 1.010 147 R HN 0.548 nan 8.270 nan 0.000 0.461 148 R N 1.635 122.145 120.500 0.017 0.000 2.103 148 R HA -0.215 4.124 4.340 -0.003 0.000 0.242 148 R C 1.474 177.793 176.300 0.031 0.000 1.142 148 R CA 2.295 58.401 56.100 0.011 0.000 0.960 148 R CB -0.174 30.048 30.300 -0.130 0.000 0.858 148 R HN 0.686 nan 8.270 nan 0.000 0.439 149 N N 0.127 118.826 118.700 -0.001 0.000 2.515 149 N HA -0.122 4.616 4.740 -0.003 0.000 0.185 149 N C 0.674 176.214 175.510 0.049 0.000 1.109 149 N CA 0.997 54.061 53.050 0.023 0.000 0.903 149 N CB -0.040 38.447 38.487 0.001 0.000 0.969 149 N HN 0.414 nan 8.380 nan 0.000 0.450 150 E N -0.268 119.956 120.200 0.041 0.000 2.371 150 E HA 0.051 4.399 4.350 -0.003 0.000 0.194 150 E C 0.126 176.730 176.600 0.006 0.000 1.012 150 E CA 0.342 56.755 56.400 0.021 0.000 0.860 150 E CB 0.485 30.180 29.700 -0.008 0.000 0.811 150 E HN 0.388 nan 8.360 nan 0.000 0.502 151 V N -2.946 117.006 119.914 0.063 0.000 3.159 151 V HA 0.725 4.844 4.120 -0.003 0.000 0.308 151 V C -0.253 175.990 176.094 0.248 0.000 1.190 151 V CA -1.363 60.983 62.300 0.076 0.000 1.037 151 V CB 1.379 33.115 31.823 -0.144 0.000 1.060 151 V HN -0.040 nan 8.190 nan 0.000 0.437 152 A N 1.411 124.411 122.820 0.301 0.000 2.386 152 A HA 0.699 5.017 4.320 -0.003 0.000 0.246 152 A C -2.384 175.383 177.584 0.306 0.000 1.089 152 A CA -1.122 51.047 52.037 0.221 0.000 0.790 152 A CB -0.756 18.266 19.000 0.036 0.000 1.042 152 A HN 0.819 nan 8.150 nan 0.000 0.497 153 P HA 0.196 nan 4.420 nan 0.000 0.265 153 P C -0.431 176.799 177.300 -0.116 0.000 1.193 153 P CA 0.864 63.814 63.100 -0.250 0.000 0.765 153 P CB 0.286 31.619 31.700 -0.611 0.000 0.823 154 H N 2.037 120.839 119.070 -0.447 0.000 3.094 154 H HA 0.102 4.656 4.556 -0.003 0.000 0.335 154 H C 0.428 175.177 175.328 -0.966 0.000 1.254 154 H CA -0.554 54.962 56.048 -0.886 0.000 1.240 154 H CB 1.245 30.451 29.762 -0.926 0.000 1.936 154 H HN 0.184 nan 8.280 nan 0.000 0.536 155 I N 3.145 122.997 120.570 -1.197 0.000 2.315 155 I HA -0.232 3.936 4.170 -0.003 0.000 0.251 155 I C 1.513 177.506 176.117 -0.205 0.000 1.125 155 I CA 1.396 62.382 61.300 -0.524 0.000 1.392 155 I CB -0.487 37.275 38.000 -0.396 0.000 1.065 155 I HN 0.436 nan 8.210 nan 0.000 0.424 156 F N 0.827 120.567 119.950 -0.350 0.000 2.171 156 F HA -0.089 4.436 4.527 -0.003 0.000 0.300 156 F C 2.568 177.811 175.800 -0.928 0.000 1.090 156 F CA 0.825 58.231 58.000 -0.990 0.000 1.293 156 F CB -1.814 36.384 39.000 -1.337 0.000 1.013 156 F HN 0.174 nan 8.300 nan 0.000 0.486 157 A N -0.203 122.390 122.820 -0.377 0.000 1.897 157 A HA -0.090 4.229 4.320 -0.003 0.000 0.215 157 A C 2.561 180.124 177.584 -0.034 0.000 1.181 157 A CA 1.539 53.563 52.037 -0.022 0.000 0.620 157 A CB -1.106 18.041 19.000 0.244 0.000 0.821 157 A HN 0.161 nan 8.150 nan 0.000 0.443 158 I N -0.279 120.262 120.570 -0.049 0.000 2.353 158 I HA -0.145 4.023 4.170 -0.003 0.000 0.248 158 I C 2.840 178.872 176.117 -0.141 0.000 1.119 158 I CA 1.555 62.830 61.300 -0.042 0.000 1.417 158 I CB -1.078 36.952 38.000 0.050 0.000 1.078 158 I HN 0.528 nan 8.210 nan 0.000 0.421 159 S N -0.525 115.080 115.700 -0.159 0.000 2.370 159 S HA -0.274 4.194 4.470 -0.003 0.000 0.226 159 S C 1.943 176.522 174.600 -0.035 0.000 1.033 159 S CA 1.743 59.876 58.200 -0.111 0.000 1.011 159 S CB -0.527 62.608 63.200 -0.108 0.000 0.852 159 S HN 0.671 nan 8.310 nan 0.000 0.457 160 D N 0.897 121.245 120.400 -0.086 0.000 2.144 160 D HA -0.074 4.564 4.640 -0.003 0.000 0.200 160 D C 1.953 178.301 176.300 0.080 0.000 0.978 160 D CA 0.841 54.934 54.000 0.155 0.000 0.833 160 D CB 0.036 40.949 40.800 0.188 0.000 0.961 160 D HN 0.193 nan 8.370 nan 0.000 0.470 161 V N 1.572 121.470 119.914 -0.027 0.000 2.332 161 V HA -0.257 3.861 4.120 -0.003 0.000 0.248 161 V C 2.722 178.724 176.094 -0.155 0.000 1.055 161 V CA 1.863 64.120 62.300 -0.072 0.000 1.038 161 V CB -0.802 30.975 31.823 -0.076 0.000 0.651 161 V HN 0.235 nan 8.190 nan 0.000 0.450 162 A N -1.024 121.605 122.820 -0.319 0.000 1.902 162 A HA -0.274 4.044 4.320 -0.003 0.000 0.217 162 A C 2.171 179.676 177.584 -0.131 0.000 1.181 162 A CA 2.100 53.911 52.037 -0.376 0.000 0.623 162 A CB -0.758 17.970 19.000 -0.453 0.000 0.818 162 A HN 0.644 nan 8.150 nan 0.000 0.443 163 Y N 0.476 120.656 120.300 -0.200 0.000 2.200 163 Y HA -0.152 4.396 4.550 -0.003 0.000 0.290 163 Y C 2.343 178.092 175.900 -0.251 0.000 1.137 163 Y CA 1.826 59.777 58.100 -0.248 0.000 1.163 163 Y CB -0.093 38.273 38.460 -0.157 0.000 0.988 163 Y HN 0.167 nan 8.280 nan 0.000 0.518 164 R N -0.359 120.013 120.500 -0.213 0.000 2.115 164 R HA -0.026 4.312 4.340 -0.003 0.000 0.226 164 R C 2.410 178.551 176.300 -0.264 0.000 1.100 164 R CA 1.123 57.058 56.100 -0.275 0.000 0.980 164 R CB -1.123 29.103 30.300 -0.123 0.000 0.875 164 R HN 0.281 nan 8.270 nan 0.000 0.445 165 S N 1.326 116.914 115.700 -0.187 0.000 2.383 165 S HA -0.077 4.392 4.470 -0.003 0.000 0.227 165 S C 1.847 176.303 174.600 -0.239 0.000 1.026 165 S CA 1.089 59.198 58.200 -0.152 0.000 0.981 165 S CB -0.126 63.055 63.200 -0.032 0.000 0.818 165 S HN 0.284 nan 8.310 nan 0.000 0.472 166 M N 1.106 120.516 119.600 -0.318 0.000 2.080 166 M HA -0.124 4.354 4.480 -0.003 0.000 0.260 166 M C 1.736 177.662 176.300 -0.623 0.000 1.068 166 M CA 1.572 56.600 55.300 -0.452 0.000 1.109 166 M CB -0.306 31.995 32.600 -0.498 0.000 1.342 166 M HN 0.278 nan 8.290 nan 0.000 0.405 167 L N -0.187 120.661 121.223 -0.625 0.000 2.005 167 L HA -0.236 4.102 4.340 -0.003 0.000 0.207 167 L C 2.068 178.708 176.870 -0.384 0.000 1.072 167 L CA 1.260 55.764 54.840 -0.561 0.000 0.744 167 L CB -1.050 40.668 42.059 -0.568 0.000 0.895 167 L HN 0.278 nan 8.230 nan 0.000 0.433 168 D N -0.151 120.067 120.400 -0.303 0.000 2.178 168 D HA -0.136 4.502 4.640 -0.003 0.000 0.202 168 D C 1.332 177.525 176.300 -0.179 0.000 0.974 168 D CA 1.126 55.003 54.000 -0.205 0.000 0.841 168 D CB -0.151 40.553 40.800 -0.161 0.000 0.953 168 D HN 0.374 nan 8.370 nan 0.000 0.478 169 D N -0.184 120.094 120.400 -0.202 0.000 2.369 169 D HA 0.085 4.723 4.640 -0.003 0.000 0.211 169 D C 0.163 176.368 176.300 -0.158 0.000 1.077 169 D CA -0.151 53.758 54.000 -0.151 0.000 0.842 169 D CB 0.345 41.072 40.800 -0.123 0.000 0.947 169 D HN 0.075 nan 8.370 nan 0.000 0.509 170 R N 0.482 120.820 120.500 -0.270 0.000 3.322 170 R HA -0.235 4.103 4.340 -0.003 0.000 0.253 170 R C -0.148 176.096 176.300 -0.093 0.000 0.987 170 R CA 0.447 56.378 56.100 -0.283 0.000 0.666 170 R CB -1.868 28.425 30.300 -0.011 0.000 1.072 170 R HN 0.212 nan 8.270 nan 0.000 0.447 171 Q N 0.430 120.112 119.800 -0.195 0.000 2.331 171 Q HA 0.341 4.679 4.340 -0.003 0.000 0.272 171 Q C -0.911 175.008 176.000 -0.135 0.000 1.062 171 Q CA -0.868 54.886 55.803 -0.082 0.000 0.806 171 Q CB 1.250 29.940 28.738 -0.080 0.000 1.312 171 Q HN 0.141 nan 8.270 nan 0.000 0.431 172 N N 2.735 121.356 118.700 -0.132 0.000 2.479 172 N HA 0.133 4.871 4.740 -0.003 0.000 0.257 172 N C -0.788 174.560 175.510 -0.270 0.000 1.232 172 N CA 0.175 53.006 53.050 -0.365 0.000 0.920 172 N CB 0.696 38.726 38.487 -0.761 0.000 1.105 172 N HN 0.544 nan 8.380 nan 0.000 0.444 173 Q N 0.035 119.687 119.800 -0.247 0.000 2.351 173 Q HA 0.552 4.891 4.340 -0.003 0.000 0.273 173 Q C -0.474 175.554 176.000 0.047 0.000 1.077 173 Q CA -0.789 54.990 55.803 -0.040 0.000 0.843 173 Q CB 1.951 30.728 28.738 0.065 0.000 1.367 173 Q HN 0.699 nan 8.270 nan 0.000 0.449 174 S N 0.226 116.003 115.700 0.129 0.000 2.548 174 S HA 0.747 5.215 4.470 -0.003 0.000 0.286 174 S C -0.956 173.731 174.600 0.144 0.000 1.098 174 S CA -0.781 57.527 58.200 0.181 0.000 0.930 174 S CB 1.217 64.553 63.200 0.228 0.000 1.070 174 S HN 0.362 nan 8.310 nan 0.000 0.480 175 L N 2.059 123.355 121.223 0.121 0.000 2.316 175 L HA 0.532 4.870 4.340 -0.003 0.000 0.280 175 L C -1.064 175.845 176.870 0.064 0.000 1.006 175 L CA -0.287 54.602 54.840 0.083 0.000 0.836 175 L CB 1.344 43.449 42.059 0.077 0.000 1.221 175 L HN 0.697 nan 8.230 nan 0.000 0.418 176 L N 5.698 126.918 121.223 -0.005 0.000 2.276 176 L HA 0.520 4.858 4.340 -0.003 0.000 0.286 176 L C -0.510 176.442 176.870 0.136 0.000 1.024 176 L CA -0.295 54.572 54.840 0.045 0.000 0.826 176 L CB 0.983 43.018 42.059 -0.039 0.000 1.211 176 L HN 0.465 nan 8.230 nan 0.000 0.422 177 I N 3.037 123.683 120.570 0.126 0.000 2.330 177 I HA 0.232 4.400 4.170 -0.003 0.000 0.286 177 I C 0.725 176.908 176.117 0.111 0.000 1.025 177 I CA -0.309 61.065 61.300 0.123 0.000 1.197 177 I CB 1.514 39.571 38.000 0.095 0.000 1.358 177 I HN 0.573 nan 8.210 nan 0.000 0.467 178 T N 2.296 116.916 114.554 0.110 0.000 2.902 178 T HA 0.873 5.221 4.350 -0.003 0.000 0.280 178 T C 0.128 174.867 174.700 0.065 0.000 0.992 178 T CA -0.583 61.564 62.100 0.078 0.000 1.015 178 T CB 2.061 70.949 68.868 0.034 0.000 1.044 178 T HN 0.928 nan 8.240 nan 0.000 0.520 179 G N 0.745 109.592 108.800 0.078 0.000 2.368 179 G HA2 0.382 4.340 3.960 -0.003 0.000 0.303 179 G HA3 0.382 4.340 3.960 -0.003 0.000 0.303 179 G C -0.929 174.038 174.900 0.111 0.000 1.590 179 G CA -0.512 44.633 45.100 0.075 0.000 0.938 179 G HN 1.082 nan 8.290 nan 0.000 0.675 180 E N -0.109 120.154 120.200 0.105 0.000 2.410 180 E HA 0.483 4.831 4.350 -0.003 0.000 0.255 180 E C 0.633 177.294 176.600 0.102 0.000 1.194 180 E CA 0.031 56.517 56.400 0.143 0.000 0.955 180 E CB 0.775 30.550 29.700 0.125 0.000 0.988 180 E HN 0.597 nan 8.360 nan 0.000 0.461 181 S N 0.222 115.975 115.700 0.088 0.000 2.575 181 S HA 0.258 4.727 4.470 -0.003 0.000 0.295 181 S C 1.069 175.727 174.600 0.096 0.000 1.267 181 S CA 0.811 59.054 58.200 0.072 0.000 1.074 181 S CB -0.714 62.510 63.200 0.041 0.000 0.829 181 S HN 1.020 nan 8.310 nan 0.000 0.497 182 G N 3.284 112.148 108.800 0.106 0.000 2.176 182 G HA2 -0.248 3.710 3.960 -0.003 0.000 0.253 182 G HA3 -0.248 3.710 3.960 -0.003 0.000 0.253 182 G C 0.916 175.865 174.900 0.082 0.000 0.979 182 G CA 0.400 45.591 45.100 0.152 0.000 0.641 182 G HN 1.406 nan 8.290 nan 0.000 0.530 183 A N -0.283 122.559 122.820 0.036 0.000 2.014 183 A HA 0.510 4.828 4.320 -0.003 0.000 0.218 183 A C 2.507 180.035 177.584 -0.092 0.000 1.163 183 A CA 2.385 54.406 52.037 -0.026 0.000 0.652 183 A CB -0.316 18.688 19.000 0.006 0.000 0.808 183 A HN 2.469 nan 8.150 nan 0.000 0.449 184 G N -1.352 107.411 108.800 -0.061 0.000 2.155 184 G HA2 -0.142 3.816 3.960 -0.003 0.000 0.130 184 G HA3 -0.142 3.816 3.960 -0.003 0.000 0.130 184 G C 0.725 175.613 174.900 -0.019 0.000 1.027 184 G CA 0.399 45.455 45.100 -0.072 0.000 0.705 184 G HN 0.404 nan 8.290 nan 0.000 0.496 185 K N -0.091 120.313 120.400 0.008 0.000 2.032 185 K HA -0.058 4.260 4.320 -0.003 0.000 0.209 185 K C 2.480 179.092 176.600 0.020 0.000 1.048 185 K CA 1.887 58.190 56.287 0.026 0.000 0.927 185 K CB -0.257 32.265 32.500 0.038 0.000 0.712 185 K HN 0.268 nan 8.250 nan 0.000 0.441 186 T N 1.364 115.926 114.554 0.013 0.000 2.777 186 T HA -0.079 4.269 4.350 -0.003 0.000 0.266 186 T C 1.635 176.337 174.700 0.005 0.000 1.040 186 T CA 1.044 63.153 62.100 0.015 0.000 1.141 186 T CB -0.047 68.836 68.868 0.026 0.000 0.868 186 T HN 0.184 nan 8.240 nan 0.000 0.444 187 E N 1.568 121.758 120.200 -0.016 0.000 2.072 187 E HA -0.053 4.295 4.350 -0.003 0.000 0.191 187 E C 2.215 178.771 176.600 -0.074 0.000 0.985 187 E CA 0.746 57.111 56.400 -0.058 0.000 0.801 187 E CB -0.422 29.225 29.700 -0.088 0.000 0.750 187 E HN 0.475 nan 8.360 nan 0.000 0.452 188 N N 0.369 119.050 118.700 -0.032 0.000 2.188 188 N HA -0.087 4.651 4.740 -0.003 0.000 0.184 188 N C 1.803 177.324 175.510 0.019 0.000 1.018 188 N CA 1.225 54.276 53.050 0.001 0.000 0.858 188 N CB -0.199 38.321 38.487 0.055 0.000 0.989 188 N HN 0.129 nan 8.380 nan 0.000 0.426 189 T N 1.728 116.296 114.554 0.024 0.000 2.684 189 T HA -0.110 4.239 4.350 -0.003 0.000 0.267 189 T C 1.873 176.594 174.700 0.034 0.000 1.036 189 T CA 1.188 63.309 62.100 0.033 0.000 1.148 189 T CB -0.035 68.851 68.868 0.031 0.000 0.863 189 T HN 0.289 nan 8.240 nan 0.000 0.436 190 K N 0.515 120.927 120.400 0.019 0.000 2.147 190 K HA -0.046 4.273 4.320 -0.003 0.000 0.205 190 K C 2.369 178.995 176.600 0.043 0.000 1.049 190 K CA 0.780 57.081 56.287 0.022 0.000 0.936 190 K CB 0.028 32.530 32.500 0.004 0.000 0.722 190 K HN 0.132 nan 8.250 nan 0.000 0.446 191 K N 0.634 121.054 120.400 0.034 0.000 2.097 191 K HA -0.052 4.266 4.320 -0.003 0.000 0.205 191 K C 2.135 178.913 176.600 0.297 0.000 1.050 191 K CA 0.747 57.131 56.287 0.162 0.000 0.938 191 K CB -0.461 32.064 32.500 0.042 0.000 0.718 191 K HN -0.023 nan 8.250 nan 0.000 0.442 192 V N 2.048 122.070 119.914 0.181 0.000 2.295 192 V HA -0.226 3.892 4.120 -0.003 0.000 0.246 192 V C 2.309 178.497 176.094 0.157 0.000 1.049 192 V CA 1.349 63.755 62.300 0.176 0.000 1.024 192 V CB -0.375 31.509 31.823 0.102 0.000 0.648 192 V HN 0.122 nan 8.190 nan 0.000 0.447 193 I N 0.025 120.653 120.570 0.097 0.000 2.252 193 I HA -0.246 3.922 4.170 -0.003 0.000 0.245 193 I C 2.527 178.667 176.117 0.039 0.000 1.102 193 I CA 1.563 62.894 61.300 0.052 0.000 1.385 193 I CB -1.441 36.573 38.000 0.023 0.000 1.064 193 I HN 0.486 nan 8.210 nan 0.000 0.414 194 Q N 0.242 120.082 119.800 0.068 0.000 2.061 194 Q HA -0.287 4.051 4.340 -0.003 0.000 0.204 194 Q C 2.494 178.471 176.000 -0.038 0.000 0.984 194 Q CA 2.024 57.851 55.803 0.040 0.000 0.846 194 Q CB -0.391 28.412 28.738 0.109 0.000 0.902 194 Q HN 0.513 nan 8.270 nan 0.000 0.421 195 Y N 0.826 121.039 120.300 -0.144 0.000 2.114 195 Y HA -0.201 4.347 4.550 -0.003 0.000 0.284 195 Y C 1.994 177.754 175.900 -0.234 0.000 1.143 195 Y CA 1.748 59.644 58.100 -0.339 0.000 1.135 195 Y CB -0.259 37.976 38.460 -0.374 0.000 0.980 195 Y HN 0.098 nan 8.280 nan 0.000 0.499 196 L N -0.513 120.672 121.223 -0.063 0.000 2.056 196 L HA -0.200 4.138 4.340 -0.003 0.000 0.207 196 L C 2.740 179.508 176.870 -0.169 0.000 1.078 196 L CA 1.138 55.912 54.840 -0.109 0.000 0.749 196 L CB -0.983 41.142 42.059 0.111 0.000 0.901 196 L HN 0.326 nan 8.230 nan 0.000 0.433 197 A N -1.116 121.629 122.820 -0.125 0.000 1.972 197 A HA -0.209 4.109 4.320 -0.003 0.000 0.219 197 A C 2.532 180.027 177.584 -0.147 0.000 1.169 197 A CA 2.039 54.007 52.037 -0.115 0.000 0.635 197 A CB -0.487 18.462 19.000 -0.085 0.000 0.810 197 A HN 0.372 nan 8.150 nan 0.000 0.446 198 S N -0.545 115.016 115.700 -0.232 0.000 2.348 198 S HA -0.109 4.359 4.470 -0.003 0.000 0.219 198 S C 2.034 176.451 174.600 -0.305 0.000 1.033 198 S CA 1.726 59.773 58.200 -0.256 0.000 0.974 198 S CB -0.630 62.383 63.200 -0.312 0.000 0.868 198 S HN 0.934 nan 8.310 nan 0.000 0.459 199 V N -0.233 119.377 119.914 -0.507 0.000 2.809 199 V HA 0.393 4.511 4.120 -0.003 0.000 0.256 199 V C 1.740 177.640 176.094 -0.322 0.000 1.080 199 V CA 1.429 63.442 62.300 -0.478 0.000 1.102 199 V CB -0.724 30.670 31.823 -0.714 0.000 0.705 199 V HN 0.484 nan 8.190 nan 0.000 0.475 200 A N 0.310 122.970 122.820 -0.267 0.000 2.465 200 A HA 0.694 5.013 4.320 -0.003 0.000 0.255 200 A C 1.193 178.885 177.584 0.180 0.000 1.274 200 A CA 0.375 52.389 52.037 -0.038 0.000 0.920 200 A CB -0.651 18.413 19.000 0.107 0.000 1.033 200 A HN 0.719 nan 8.150 nan 0.000 0.516 201 G N -0.387 108.465 108.800 0.087 0.000 2.537 201 G HA2 0.529 4.487 3.960 -0.003 0.000 0.273 201 G HA3 0.529 4.487 3.960 -0.003 0.000 0.273 201 G C -0.011 174.970 174.900 0.135 0.000 1.189 201 G CA -0.497 44.655 45.100 0.086 0.000 0.881 201 G HN 0.403 nan 8.290 nan 0.000 0.535 211 L N 1.097 122.284 121.223 -0.060 0.000 2.013 211 L HA -0.183 4.155 4.340 -0.003 0.000 0.212 211 L C 2.330 179.160 176.870 -0.067 0.000 1.073 211 L CA 3.549 58.347 54.840 -0.069 0.000 0.753 211 L CB -0.446 41.569 42.059 -0.073 0.000 0.890 211 L HN 0.688 nan 8.230 nan 0.000 0.432 212 E N -0.976 119.188 120.200 -0.060 0.000 2.077 212 E HA -0.224 4.124 4.350 -0.003 0.000 0.193 212 E C 2.232 178.804 176.600 -0.046 0.000 0.989 212 E CA 1.536 57.901 56.400 -0.057 0.000 0.800 212 E CB -0.410 29.259 29.700 -0.052 0.000 0.746 212 E HN 0.481 nan 8.360 nan 0.000 0.452 213 Q N 0.040 119.817 119.800 -0.039 0.000 2.124 213 Q HA -0.187 4.151 4.340 -0.003 0.000 0.202 213 Q C 2.232 178.214 176.000 -0.030 0.000 0.977 213 Q CA 1.717 57.503 55.803 -0.029 0.000 0.850 213 Q CB -0.342 28.381 28.738 -0.024 0.000 0.901 213 Q HN 0.526 nan 8.270 nan 0.000 0.429 214 Q N -0.484 119.290 119.800 -0.043 0.000 2.167 214 Q HA -0.013 4.325 4.340 -0.003 0.000 0.202 214 Q C 2.158 178.129 176.000 -0.048 0.000 0.970 214 Q CA 1.303 57.077 55.803 -0.048 0.000 0.855 214 Q CB -0.242 28.453 28.738 -0.071 0.000 0.911 214 Q HN 0.523 nan 8.270 nan 0.000 0.438 215 I N 0.145 120.682 120.570 -0.055 0.000 2.226 215 I HA -0.274 3.894 4.170 -0.003 0.000 0.245 215 I C 1.737 177.837 176.117 -0.029 0.000 1.100 215 I CA 0.817 62.085 61.300 -0.055 0.000 1.374 215 I CB -0.152 37.806 38.000 -0.069 0.000 1.057 215 I HN 0.211 nan 8.210 nan 0.000 0.413 216 L N -0.019 121.193 121.223 -0.019 0.000 2.109 216 L HA -0.126 4.212 4.340 -0.003 0.000 0.207 216 L C 2.432 179.311 176.870 0.016 0.000 1.086 216 L CA 1.631 56.472 54.840 0.000 0.000 0.760 216 L CB -1.121 40.938 42.059 0.001 0.000 0.910 216 L HN 0.263 nan 8.230 nan 0.000 0.437 217 Q N -0.731 119.076 119.800 0.012 0.000 2.436 217 Q HA 0.049 4.387 4.340 -0.003 0.000 0.209 217 Q C 2.248 178.272 176.000 0.041 0.000 0.965 217 Q CA 0.916 56.735 55.803 0.027 0.000 0.910 217 Q CB -0.279 28.472 28.738 0.021 0.000 0.980 217 Q HN 0.476 nan 8.270 nan 0.000 0.491 218 A N 1.089 123.924 122.820 0.024 0.000 1.986 218 A HA -0.256 4.062 4.320 -0.003 0.000 0.220 218 A C 1.940 179.563 177.584 0.066 0.000 1.171 218 A CA 1.863 53.916 52.037 0.027 0.000 0.640 218 A CB -0.563 18.434 19.000 -0.006 0.000 0.811 218 A HN 0.379 nan 8.150 nan 0.000 0.451 219 N N -0.444 118.302 118.700 0.077 0.000 2.135 219 N HA -0.050 4.688 4.740 -0.003 0.000 0.186 219 N C -1.125 174.475 175.510 0.151 0.000 1.027 219 N CA 1.531 54.651 53.050 0.118 0.000 0.849 219 N CB -0.523 38.023 38.487 0.099 0.000 1.002 219 N HN 0.296 nan 8.380 nan 0.000 0.425 220 P HA -0.090 nan 4.420 nan 0.000 0.218 220 P C 0.909 178.326 177.300 0.196 0.000 1.148 220 P CA 1.021 64.209 63.100 0.148 0.000 0.822 220 P CB 0.081 31.844 31.700 0.105 0.000 0.784 221 I N -1.451 119.227 120.570 0.179 0.000 2.193 221 I HA -0.195 3.973 4.170 -0.003 0.000 0.240 221 I C 2.317 178.619 176.117 0.307 0.000 1.084 221 I CA 1.235 62.673 61.300 0.230 0.000 1.365 221 I CB -0.706 37.352 38.000 0.096 0.000 1.064 221 I HN -0.143 nan 8.210 nan 0.000 0.410 222 L N 0.334 121.686 121.223 0.216 0.000 2.046 222 L HA -0.199 4.139 4.340 -0.003 0.000 0.208 222 L C 2.503 179.659 176.870 0.476 0.000 1.077 222 L CA 1.485 56.488 54.840 0.271 0.000 0.747 222 L CB -0.643 41.592 42.059 0.294 0.000 0.896 222 L HN 0.269 nan 8.230 nan 0.000 0.432 223 E N 0.229 120.680 120.200 0.419 0.000 2.106 223 E HA -0.184 4.164 4.350 -0.003 0.000 0.192 223 E C 2.345 179.207 176.600 0.436 0.000 0.984 223 E CA 1.029 57.691 56.400 0.437 0.000 0.806 223 E CB -0.161 29.746 29.700 0.346 0.000 0.750 223 E HN 0.498 nan 8.360 nan 0.000 0.458 224 A N 0.683 123.716 122.820 0.355 0.000 1.933 224 A HA -0.158 4.160 4.320 -0.003 0.000 0.218 224 A C 1.761 179.391 177.584 0.077 0.000 1.175 224 A CA 1.257 53.424 52.037 0.216 0.000 0.628 224 A CB -0.543 18.486 19.000 0.049 0.000 0.814 224 A HN 0.179 nan 8.150 nan 0.000 0.444 225 F N -1.079 119.023 119.950 0.254 0.000 2.619 225 F HA 0.234 4.760 4.527 -0.003 0.000 0.293 225 F C 2.275 178.122 175.800 0.078 0.000 1.119 225 F CA 0.827 58.942 58.000 0.191 0.000 1.445 225 F CB 0.109 39.180 39.000 0.117 0.000 1.119 225 F HN 0.289 nan 8.300 nan 0.000 0.573 226 G N -1.361 107.669 108.800 0.383 0.000 3.228 226 G HA2 0.108 4.066 3.960 -0.003 0.000 0.245 226 G HA3 0.108 4.066 3.960 -0.003 0.000 0.245 226 G C -0.055 175.217 174.900 0.620 0.000 1.051 226 G CA -0.088 45.172 45.100 0.266 0.000 0.809 226 G HN 0.056 nan 8.290 nan 0.000 0.531 227 N N 0.260 119.244 118.700 0.473 0.000 2.384 227 N HA 0.797 5.536 4.740 -0.003 0.000 0.301 227 N C -0.492 174.841 175.510 -0.295 0.000 1.133 227 N CA -0.078 53.086 53.050 0.190 0.000 0.853 227 N CB 2.173 40.803 38.487 0.239 0.000 1.241 227 N HN 0.228 nan 8.380 nan 0.000 0.502 228 A N 0.141 122.763 122.820 -0.330 0.000 2.610 228 A HA 0.474 4.792 4.320 -0.003 0.000 0.291 228 A C -1.132 176.391 177.584 -0.102 0.000 1.086 228 A CA -0.789 50.999 52.037 -0.415 0.000 0.677 228 A CB 1.105 19.829 19.000 -0.460 0.000 1.278 228 A HN 0.534 nan 8.150 nan 0.000 0.414 229 K N 1.361 121.751 120.400 -0.016 0.000 2.378 229 K HA 0.377 4.695 4.320 -0.003 0.000 0.288 229 K C 0.318 176.877 176.600 -0.069 0.000 1.057 229 K CA 0.663 56.951 56.287 0.001 0.000 0.971 229 K CB 0.184 32.670 32.500 -0.023 0.000 0.975 229 K HN 0.895 nan 8.250 nan 0.000 0.475 230 T N -0.153 114.388 114.554 -0.023 0.000 2.889 230 T HA 0.131 4.479 4.350 -0.003 0.000 0.278 230 T C 1.392 176.098 174.700 0.009 0.000 0.995 230 T CA -0.239 61.835 62.100 -0.043 0.000 0.966 230 T CB 1.197 70.105 68.868 0.066 0.000 1.237 230 T HN 0.589 nan 8.240 nan 0.000 0.591 231 T N -1.799 112.776 114.554 0.034 0.000 3.072 231 T HA 0.071 4.419 4.350 -0.003 0.000 0.266 231 T C 1.633 176.407 174.700 0.123 0.000 1.127 231 T CA 0.415 62.560 62.100 0.074 0.000 1.107 231 T CB -0.264 68.669 68.868 0.108 0.000 0.910 231 T HN 0.632 nan 8.240 nan 0.000 0.513 232 R N 0.375 120.988 120.500 0.188 0.000 2.254 232 R HA 0.332 4.670 4.340 -0.003 0.000 0.193 232 R C -0.019 176.356 176.300 0.125 0.000 0.929 232 R CA 0.022 56.207 56.100 0.141 0.000 1.038 232 R CB 0.378 30.764 30.300 0.143 0.000 1.009 232 R HN 0.251 nan 8.270 nan 0.000 0.512 233 N N -0.423 118.351 118.700 0.122 0.000 2.493 233 N HA 0.091 4.830 4.740 -0.003 0.000 0.279 233 N C -0.984 174.590 175.510 0.107 0.000 1.082 233 N CA -0.319 52.810 53.050 0.131 0.000 0.963 233 N CB 1.083 39.658 38.487 0.147 0.000 1.627 233 N HN -0.116 nan 8.380 nan 0.000 0.499 234 N N 1.441 120.201 118.700 0.100 0.000 2.453 234 N HA -0.087 4.651 4.740 -0.003 0.000 0.183 234 N C -0.116 175.494 175.510 0.167 0.000 1.041 234 N CA 0.552 53.656 53.050 0.090 0.000 0.900 234 N CB 0.091 38.609 38.487 0.052 0.000 0.961 234 N HN 0.383 nan 8.380 nan 0.000 0.443 235 N N 0.070 118.879 118.700 0.182 0.000 2.553 235 N HA 0.073 4.811 4.740 -0.003 0.000 0.298 235 N C -1.319 174.306 175.510 0.192 0.000 1.596 235 N CA -0.151 53.053 53.050 0.257 0.000 0.910 235 N CB 0.400 39.017 38.487 0.216 0.000 1.336 235 N HN -0.155 nan 8.380 nan 0.000 0.497 236 S N -0.068 115.715 115.700 0.139 0.000 2.525 236 S HA 0.123 4.591 4.470 -0.003 0.000 0.285 236 S C 0.030 174.690 174.600 0.099 0.000 1.283 236 S CA -0.100 58.163 58.200 0.105 0.000 1.072 236 S CB 0.029 63.285 63.200 0.092 0.000 0.867 236 S HN 0.345 nan 8.310 nan 0.000 0.492 237 S N 5.310 121.052 115.700 0.070 0.000 2.465 237 S HA 0.216 4.684 4.470 -0.003 0.000 0.280 237 S C 0.755 175.385 174.600 0.049 0.000 1.232 237 S CA -0.625 57.583 58.200 0.013 0.000 1.066 237 S CB 0.359 63.467 63.200 -0.155 0.000 0.929 237 S HN 0.573 nan 8.310 nan 0.000 0.494 238 R N 2.102 122.717 120.500 0.192 0.000 2.466 238 R HA 0.250 4.588 4.340 -0.003 0.000 0.279 238 R C -0.453 176.023 176.300 0.295 0.000 0.976 238 R CA -0.078 56.160 56.100 0.230 0.000 1.081 238 R CB -0.784 29.702 30.300 0.310 0.000 1.215 238 R HN 0.651 nan 8.270 nan 0.000 0.546 239 F N -3.073 116.935 119.950 0.096 0.000 2.619 239 F HA 0.785 5.310 4.527 -0.003 0.000 0.308 239 F C -0.021 175.887 175.800 0.179 0.000 1.097 239 F CA -1.933 56.132 58.000 0.107 0.000 0.953 239 F CB 0.776 39.794 39.000 0.029 0.000 1.287 239 F HN -0.097 nan 8.300 nan 0.000 0.446 240 G N 1.663 110.544 108.800 0.134 0.000 2.451 240 G HA2 0.620 4.578 3.960 -0.003 0.000 0.303 240 G HA3 0.620 4.578 3.960 -0.003 0.000 0.303 240 G C -1.590 173.497 174.900 0.311 0.000 1.166 240 G CA -0.973 44.222 45.100 0.159 0.000 0.884 240 G HN 1.050 nan 8.290 nan 0.000 0.514 241 K N -0.623 119.917 120.400 0.233 0.000 2.532 241 K HA 0.624 4.942 4.320 -0.003 0.000 0.265 241 K C -2.205 174.567 176.600 0.287 0.000 0.948 241 K CA -1.006 55.388 56.287 0.178 0.000 0.842 241 K CB 2.268 34.894 32.500 0.210 0.000 1.392 241 K HN 0.329 nan 8.250 nan 0.000 0.436 242 F N 3.308 123.264 119.950 0.009 0.000 2.499 242 F HA 0.459 4.984 4.527 -0.003 0.000 0.333 242 F C -1.196 174.599 175.800 -0.009 0.000 1.138 242 F CA -1.316 56.715 58.000 0.053 0.000 0.945 242 F CB 1.070 40.133 39.000 0.105 0.000 1.181 242 F HN 0.413 nan 8.300 nan 0.000 0.435 243 I N 5.540 125.887 120.570 -0.373 0.000 2.312 243 I HA 0.235 4.403 4.170 -0.003 0.000 0.290 243 I C -0.187 175.651 176.117 -0.464 0.000 1.008 243 I CA -0.449 60.678 61.300 -0.288 0.000 1.226 243 I CB 1.245 39.153 38.000 -0.153 0.000 1.371 243 I HN 0.577 nan 8.210 nan 0.000 0.468 244 E N 6.319 126.303 120.200 -0.359 0.000 2.089 244 E HA 0.328 4.677 4.350 -0.003 0.000 0.284 244 E C -0.478 176.047 176.600 -0.125 0.000 1.023 244 E CA -0.598 55.645 56.400 -0.263 0.000 0.819 244 E CB 1.579 31.086 29.700 -0.322 0.000 1.076 244 E HN 0.334 nan 8.360 nan 0.000 0.396 245 I N 3.527 124.071 120.570 -0.044 0.000 2.352 245 I HA 0.084 4.252 4.170 -0.003 0.000 0.290 245 I C 0.380 176.378 176.117 -0.197 0.000 1.036 245 I CA -0.073 61.138 61.300 -0.147 0.000 1.336 245 I CB 0.701 38.629 38.000 -0.120 0.000 1.407 245 I HN 0.422 nan 8.210 nan 0.000 0.497 246 Q N 5.444 125.049 119.800 -0.325 0.000 2.245 246 Q HA 0.632 4.970 4.340 -0.003 0.000 0.256 246 Q C -1.440 174.333 176.000 -0.378 0.000 0.942 246 Q CA -0.397 55.327 55.803 -0.132 0.000 0.896 246 Q CB 2.254 30.961 28.738 -0.052 0.000 1.272 246 Q HN 0.379 nan 8.270 nan 0.000 0.442 247 F N 1.139 121.202 119.950 0.188 0.000 2.576 247 F HA 0.327 4.852 4.527 -0.003 0.000 0.313 247 F C 0.310 176.221 175.800 0.185 0.000 1.078 247 F CA -1.224 56.899 58.000 0.205 0.000 0.921 247 F CB 1.233 40.388 39.000 0.258 0.000 1.232 247 F HN 0.566 nan 8.300 nan 0.000 0.459 248 N N -0.378 118.532 118.700 0.350 0.000 2.364 248 N HA 0.138 4.876 4.740 -0.003 0.000 0.264 248 N C 0.583 176.262 175.510 0.281 0.000 1.263 248 N CA -0.370 52.822 53.050 0.236 0.000 0.959 248 N CB 0.103 38.709 38.487 0.199 0.000 1.204 248 N HN 0.459 nan 8.380 nan 0.000 0.550 249 S N -1.213 114.597 115.700 0.184 0.000 2.419 249 S HA -0.090 4.378 4.470 -0.003 0.000 0.235 249 S C 1.602 176.327 174.600 0.209 0.000 1.019 249 S CA 1.059 59.392 58.200 0.222 0.000 0.982 249 S CB -0.635 62.634 63.200 0.115 0.000 0.789 249 S HN 0.770 nan 8.310 nan 0.000 0.490 250 A N 0.283 123.215 122.820 0.187 0.000 2.208 250 A HA 0.501 4.819 4.320 -0.003 0.000 0.209 250 A C 1.733 179.286 177.584 -0.050 0.000 1.161 250 A CA 0.844 52.949 52.037 0.113 0.000 0.782 250 A CB -0.583 18.575 19.000 0.263 0.000 0.816 250 A HN 0.886 nan 8.150 nan 0.000 0.477 251 G N -2.228 106.607 108.800 0.059 0.000 2.176 251 G HA2 -0.213 3.745 3.960 -0.003 0.000 0.232 251 G HA3 -0.213 3.745 3.960 -0.003 0.000 0.232 251 G C -0.048 174.934 174.900 0.137 0.000 0.986 251 G CA 0.022 45.111 45.100 -0.017 0.000 0.643 251 G HN 0.294 nan 8.290 nan 0.000 0.522 252 F N 0.683 120.821 119.950 0.314 0.000 2.375 252 F HA 0.598 5.123 4.527 -0.003 0.000 0.333 252 F C 1.410 177.383 175.800 0.288 0.000 1.104 252 F CA -0.773 57.390 58.000 0.272 0.000 1.149 252 F CB 0.949 40.029 39.000 0.133 0.000 1.190 252 F HN -0.014 nan 8.300 nan 0.000 0.533 253 I N 1.740 122.522 120.570 0.353 0.000 2.668 253 I HA 0.001 4.170 4.170 -0.003 0.000 0.285 253 I C 0.937 177.058 176.117 0.008 0.000 1.168 253 I CA 0.444 61.733 61.300 -0.019 0.000 1.424 253 I CB 0.102 38.036 38.000 -0.111 0.000 1.377 253 I HN 0.832 nan 8.210 nan 0.000 0.560 254 S N 2.562 118.224 115.700 -0.064 0.000 2.559 254 S HA 0.593 5.061 4.470 -0.003 0.000 0.226 254 S C 0.687 175.243 174.600 -0.073 0.000 1.030 254 S CA 0.272 58.456 58.200 -0.026 0.000 0.956 254 S CB 0.653 63.869 63.200 0.027 0.000 0.900 254 S HN 1.438 nan 8.310 nan 0.000 0.510 255 G N 0.227 108.951 108.800 -0.128 0.000 2.335 255 G HA2 0.634 4.592 3.960 -0.003 0.000 0.291 255 G HA3 0.634 4.592 3.960 -0.003 0.000 0.291 255 G C -1.827 172.977 174.900 -0.160 0.000 1.261 255 G CA -0.101 44.924 45.100 -0.126 0.000 0.871 255 G HN 1.151 nan 8.290 nan 0.000 0.491 256 A N -1.331 121.406 122.820 -0.137 0.000 2.605 256 A HA 0.928 5.246 4.320 -0.003 0.000 0.294 256 A C -0.824 176.681 177.584 -0.132 0.000 1.062 256 A CA 0.416 52.369 52.037 -0.141 0.000 0.682 256 A CB 1.394 20.311 19.000 -0.138 0.000 1.278 256 A HN 2.054 nan 8.150 nan 0.000 0.410 257 S N 0.495 116.112 115.700 -0.138 0.000 2.575 257 S HA 0.684 5.152 4.470 -0.003 0.000 0.278 257 S C -1.275 173.245 174.600 -0.133 0.000 1.139 257 S CA -0.410 57.708 58.200 -0.137 0.000 0.954 257 S CB 0.500 63.618 63.200 -0.136 0.000 1.054 257 S HN 0.608 nan 8.310 nan 0.000 0.483 258 I N 4.038 124.534 120.570 -0.123 0.000 2.307 258 I HA 0.341 4.509 4.170 -0.003 0.000 0.289 258 I C -0.129 175.921 176.117 -0.112 0.000 1.021 258 I CA -0.545 60.694 61.300 -0.101 0.000 1.224 258 I CB 1.567 39.514 38.000 -0.089 0.000 1.376 258 I HN 0.515 nan 8.210 nan 0.000 0.470 259 Q N 6.106 125.846 119.800 -0.100 0.000 2.337 259 Q HA 0.281 4.619 4.340 -0.003 0.000 0.255 259 Q C -0.317 175.477 176.000 -0.344 0.000 0.997 259 Q CA -0.358 55.324 55.803 -0.202 0.000 0.925 259 Q CB 0.996 29.635 28.738 -0.165 0.000 1.212 259 Q HN 0.715 nan 8.270 nan 0.000 0.436 260 S N 3.422 118.964 115.700 -0.263 0.000 2.578 260 S HA 0.632 5.101 4.470 -0.003 0.000 0.283 260 S C -0.658 173.782 174.600 -0.267 0.000 1.195 260 S CA -0.551 57.580 58.200 -0.116 0.000 1.050 260 S CB 0.670 63.941 63.200 0.118 0.000 1.012 260 S HN 0.490 nan 8.310 nan 0.000 0.511 261 Y N 0.500 120.971 120.300 0.286 0.000 2.654 261 Y HA 0.495 5.043 4.550 -0.003 0.000 0.327 261 Y C 0.489 176.518 175.900 0.215 0.000 1.122 261 Y CA -1.691 56.517 58.100 0.180 0.000 1.227 261 Y CB 0.420 38.950 38.460 0.117 0.000 1.370 261 Y HN 0.592 nan 8.280 nan 0.000 0.528 262 L N 2.288 123.718 121.223 0.345 0.000 2.615 262 L HA -0.087 4.252 4.340 -0.003 0.000 0.284 262 L C -0.242 176.757 176.870 0.216 0.000 1.237 262 L CA 0.171 55.153 54.840 0.238 0.000 0.905 262 L CB -0.207 41.982 42.059 0.218 0.000 1.149 262 L HN 0.345 nan 8.230 nan 0.000 0.499 263 L N 4.145 125.444 121.223 0.128 0.000 2.350 263 L HA 0.133 4.471 4.340 -0.003 0.000 0.275 263 L C 0.736 177.668 176.870 0.103 0.000 1.099 263 L CA 0.217 55.086 54.840 0.048 0.000 0.808 263 L CB 0.989 42.920 42.059 -0.214 0.000 1.149 263 L HN 0.538 nan 8.230 nan 0.000 0.442 264 E N 3.866 124.162 120.200 0.161 0.000 2.053 264 E HA -0.044 4.304 4.350 -0.003 0.000 0.297 264 E C 0.446 177.169 176.600 0.206 0.000 1.173 264 E CA 0.084 56.585 56.400 0.169 0.000 1.219 264 E CB 0.152 29.952 29.700 0.166 0.000 1.103 264 E HN 0.630 nan 8.360 nan 0.000 0.476 265 K N 0.357 120.845 120.400 0.145 0.000 2.209 265 K HA -0.144 4.174 4.320 -0.003 0.000 0.204 265 K C 2.138 178.794 176.600 0.094 0.000 1.048 265 K CA 1.345 57.712 56.287 0.134 0.000 0.940 265 K CB 0.012 32.573 32.500 0.101 0.000 0.729 265 K HN 0.360 nan 8.250 nan 0.000 0.451 266 S N 1.335 117.086 115.700 0.084 0.000 2.420 266 S HA -0.232 4.236 4.470 -0.003 0.000 0.237 266 S C 1.979 176.602 174.600 0.037 0.000 1.023 266 S CA 1.233 59.469 58.200 0.059 0.000 0.991 266 S CB -0.315 62.931 63.200 0.078 0.000 0.792 266 S HN 0.315 nan 8.310 nan 0.000 0.488 267 R N 0.948 121.463 120.500 0.024 0.000 2.189 267 R HA -0.001 4.337 4.340 -0.003 0.000 0.223 267 R C 1.792 177.978 176.300 -0.190 0.000 1.092 267 R CA 1.112 57.147 56.100 -0.107 0.000 0.989 267 R CB -0.523 29.603 30.300 -0.290 0.000 0.876 267 R HN 0.402 nan 8.270 nan 0.000 0.457 268 V N 0.661 120.487 119.914 -0.147 0.000 2.392 268 V HA -0.224 3.894 4.120 -0.003 0.000 0.249 268 V C 2.159 177.849 176.094 -0.673 0.000 1.059 268 V CA 1.885 63.968 62.300 -0.363 0.000 1.051 268 V CB -0.072 31.552 31.823 -0.331 0.000 0.658 268 V HN 0.504 nan 8.190 nan 0.000 0.455 269 V N -4.692 114.906 119.914 -0.527 0.000 3.644 269 V HA 0.420 4.538 4.120 -0.003 0.000 0.267 269 V C 0.186 176.207 176.094 -0.122 0.000 1.277 269 V CA 0.065 61.976 62.300 -0.649 0.000 1.096 269 V CB 0.248 31.866 31.823 -0.341 0.000 0.828 269 V HN 0.310 nan 8.190 nan 0.000 0.446 270 F N 1.346 121.176 119.950 -0.201 0.000 2.615 270 F HA 0.800 5.326 4.527 -0.003 0.000 0.312 270 F C -1.597 174.129 175.800 -0.124 0.000 1.119 270 F CA -0.702 57.238 58.000 -0.100 0.000 0.979 270 F CB 2.085 41.052 39.000 -0.055 0.000 1.266 270 F HN 0.062 nan 8.300 nan 0.000 0.444 271 Q N 3.242 122.368 119.800 -1.125 0.000 2.305 271 Q HA 0.487 4.825 4.340 -0.003 0.000 0.271 271 Q C -0.616 174.723 176.000 -1.103 0.000 1.046 271 Q CA -0.886 54.372 55.803 -0.908 0.000 0.798 271 Q CB 2.191 30.655 28.738 -0.456 0.000 1.286 271 Q HN 0.634 nan 8.270 nan 0.000 0.435 272 S N 1.181 116.407 115.700 -0.791 0.000 2.569 272 S HA -0.030 4.438 4.470 -0.003 0.000 0.274 272 S C 0.077 174.507 174.600 -0.283 0.000 1.353 272 S CA -0.363 57.594 58.200 -0.404 0.000 1.023 272 S CB 0.320 63.378 63.200 -0.237 0.000 0.876 272 S HN 0.597 nan 8.310 nan 0.000 0.540 273 E N 0.744 120.847 120.200 -0.163 0.000 2.608 273 E HA -0.057 4.291 4.350 -0.003 0.000 0.259 273 E C 1.008 177.538 176.600 -0.115 0.000 0.951 273 E CA 1.111 57.443 56.400 -0.114 0.000 0.945 273 E CB 0.107 29.771 29.700 -0.059 0.000 0.916 273 E HN 0.944 nan 8.360 nan 0.000 0.477 274 T N -0.040 114.450 114.554 -0.106 0.000 7.013 274 T HA -0.276 4.072 4.350 -0.003 0.000 0.288 274 T C 0.132 174.760 174.700 -0.120 0.000 2.146 274 T CA 1.554 63.596 62.100 -0.097 0.000 3.498 274 T CB -1.473 67.351 68.868 -0.073 0.000 1.517 274 T HN 0.615 nan 8.240 nan 0.000 1.113 275 E N 1.003 121.106 120.200 -0.161 0.000 2.351 275 E HA 0.629 4.977 4.350 -0.003 0.000 0.255 275 E C 0.483 176.981 176.600 -0.169 0.000 1.188 275 E CA -0.905 55.388 56.400 -0.179 0.000 0.940 275 E CB 0.713 30.263 29.700 -0.249 0.000 1.094 275 E HN 0.409 nan 8.360 nan 0.000 0.474 276 R N 0.748 121.150 120.500 -0.163 0.000 2.892 276 R HA 0.281 4.619 4.340 -0.003 0.000 0.265 276 R C 0.154 176.402 176.300 -0.086 0.000 1.025 276 R CA -0.917 55.118 56.100 -0.109 0.000 0.982 276 R CB 1.129 31.295 30.300 -0.223 0.000 1.185 276 R HN 0.441 nan 8.270 nan 0.000 0.484 277 N N 0.396 119.149 118.700 0.088 0.000 2.255 277 N HA -0.017 4.721 4.740 -0.003 0.000 0.253 277 N C -0.591 174.970 175.510 0.084 0.000 1.313 277 N CA 0.362 53.389 53.050 -0.039 0.000 0.912 277 N CB 0.209 38.609 38.487 -0.144 0.000 1.145 277 N HN 0.234 nan 8.380 nan 0.000 0.511 278 Y N 1.050 121.476 120.300 0.210 0.000 2.683 278 Y HA -0.057 4.491 4.550 -0.003 0.000 0.340 278 Y C 2.001 178.090 175.900 0.315 0.000 1.245 278 Y CA 0.219 58.417 58.100 0.163 0.000 1.485 278 Y CB 0.242 38.801 38.460 0.164 0.000 1.328 278 Y HN 0.508 nan 8.280 nan 0.000 0.603 279 H N 1.736 121.040 119.070 0.391 0.000 2.387 279 H HA -0.189 4.365 4.556 -0.003 0.000 0.299 279 H C 2.215 177.670 175.328 0.211 0.000 1.099 279 H CA 1.954 58.197 56.048 0.324 0.000 1.315 279 H CB -0.254 29.622 29.762 0.189 0.000 1.380 279 H HN 0.733 nan 8.280 nan 0.000 0.513 280 I N 0.805 121.421 120.570 0.076 0.000 2.248 280 I HA -0.281 3.888 4.170 -0.003 0.000 0.248 280 I C 1.855 177.804 176.117 -0.280 0.000 1.107 280 I CA 1.045 62.192 61.300 -0.255 0.000 1.373 280 I CB -0.528 36.980 38.000 -0.819 0.000 1.055 280 I HN -0.067 nan 8.210 nan 0.000 0.418 281 F N -0.357 119.512 119.950 -0.135 0.000 2.095 281 F HA -0.258 4.267 4.527 -0.003 0.000 0.298 281 F C 2.208 177.751 175.800 -0.429 0.000 1.104 281 F CA 1.978 59.768 58.000 -0.350 0.000 1.232 281 F CB -1.226 37.450 39.000 -0.540 0.000 0.987 281 F HN 0.114 nan 8.300 nan 0.000 0.475 282 Y N -0.455 119.910 120.300 0.109 0.000 2.337 282 Y HA -0.137 4.411 4.550 -0.003 0.000 0.293 282 Y C 2.428 178.276 175.900 -0.087 0.000 1.123 282 Y CA 0.842 58.956 58.100 0.024 0.000 1.201 282 Y CB -0.918 37.578 38.460 0.061 0.000 1.011 282 Y HN 0.090 nan 8.280 nan 0.000 0.545 283 Q N -0.237 119.572 119.800 0.014 0.000 2.050 283 Q HA -0.195 4.143 4.340 -0.003 0.000 0.202 283 Q C 2.218 177.789 176.000 -0.716 0.000 0.980 283 Q CA 1.641 57.366 55.803 -0.131 0.000 0.840 283 Q CB -0.388 28.399 28.738 0.082 0.000 0.898 283 Q HN 0.431 nan 8.270 nan 0.000 0.424 284 L N 0.645 121.360 121.223 -0.848 0.000 1.994 284 L HA -0.164 4.174 4.340 -0.003 0.000 0.208 284 L C 1.981 178.444 176.870 -0.677 0.000 1.071 284 L CA 1.640 55.779 54.840 -1.168 0.000 0.745 284 L CB -0.422 41.224 42.059 -0.689 0.000 0.892 284 L HN 0.190 nan 8.230 nan 0.000 0.431 285 L N -0.759 120.247 121.223 -0.361 0.000 2.141 285 L HA -0.138 4.200 4.340 -0.003 0.000 0.209 285 L C 2.527 179.309 176.870 -0.146 0.000 1.094 285 L CA 1.037 55.764 54.840 -0.189 0.000 0.763 285 L CB -0.843 41.172 42.059 -0.074 0.000 0.908 285 L HN 0.404 nan 8.230 nan 0.000 0.437 286 A N -0.321 122.406 122.820 -0.156 0.000 1.975 286 A HA 0.078 4.396 4.320 -0.003 0.000 0.215 286 A C 2.221 179.750 177.584 -0.092 0.000 1.170 286 A CA 1.244 53.233 52.037 -0.080 0.000 0.656 286 A CB -0.515 18.471 19.000 -0.023 0.000 0.821 286 A HN 0.398 nan 8.150 nan 0.000 0.449 287 G N -1.068 107.608 108.800 -0.206 0.000 2.921 287 G HA2 0.434 4.392 3.960 -0.003 0.000 0.213 287 G HA3 0.434 4.392 3.960 -0.003 0.000 0.213 287 G C 0.662 175.575 174.900 0.022 0.000 1.143 287 G CA 0.643 45.728 45.100 -0.024 0.000 0.764 287 G HN 0.702 nan 8.290 nan 0.000 0.542 288 A N 1.259 123.974 122.820 -0.174 0.000 2.407 288 A HA 0.533 4.852 4.320 -0.003 0.000 0.248 288 A C 1.143 178.732 177.584 0.008 0.000 1.082 288 A CA 0.306 52.301 52.037 -0.068 0.000 0.785 288 A CB -0.116 18.789 19.000 -0.160 0.000 1.020 288 A HN 0.540 nan 8.150 nan 0.000 0.489 289 T N -0.295 114.286 114.554 0.044 0.000 2.791 289 T HA 0.327 4.676 4.350 -0.003 0.000 0.323 289 T C 1.469 176.177 174.700 0.013 0.000 1.082 289 T CA 0.066 62.186 62.100 0.035 0.000 1.084 289 T CB 0.405 69.299 68.868 0.043 0.000 0.992 289 T HN 1.277 nan 8.240 nan 0.000 0.547 290 A N 1.115 123.942 122.820 0.012 0.000 1.883 290 A HA 0.140 4.458 4.320 -0.003 0.000 0.217 290 A C 2.436 180.018 177.584 -0.003 0.000 1.186 290 A CA 1.854 53.893 52.037 0.003 0.000 0.624 290 A CB -1.525 nan 19.000 nan 0.000 0.822 290 A HN 1.162 nan 8.150 nan 0.000 0.444 291 E N -1.359 118.840 120.200 -0.002 0.000 2.501 291 E HA 0.384 4.732 4.350 -0.003 0.000 0.201 291 E C 1.497 178.092 176.600 -0.008 0.000 1.016 291 E CA 1.292 57.684 56.400 -0.013 0.000 0.920 291 E CB -1.204 nan 29.700 nan 0.000 1.023 291 E HN 0.850 nan 8.360 nan 0.000 0.474 292 E N 1.880 122.085 120.200 0.008 0.000 2.058 292 E HA -0.253 4.095 4.350 -0.003 0.000 0.194 292 E C 2.066 178.667 176.600 0.002 0.000 0.997 292 E CA 1.615 58.028 56.400 0.021 0.000 0.801 292 E CB -0.702 nan 29.700 nan 0.000 0.746 292 E HN 0.550 nan 8.360 nan 0.000 0.450 293 K N -0.368 120.026 120.400 -0.010 0.000 2.148 293 K HA -0.069 4.249 4.320 -0.003 0.000 0.204 293 K C 2.894 179.480 176.600 -0.023 0.000 1.050 293 K CA 1.548 57.830 56.287 -0.008 0.000 0.942 293 K CB -0.157 32.340 32.500 -0.006 0.000 0.724 293 K HN 0.392 nan 8.250 nan 0.000 0.446 294 K N 1.055 121.422 120.400 -0.054 0.000 2.031 294 K HA 0.037 4.355 4.320 -0.003 0.000 0.205 294 K C 2.155 178.617 176.600 -0.230 0.000 1.049 294 K CA 1.345 57.557 56.287 -0.125 0.000 0.939 294 K CB -1.053 nan 32.500 nan 0.000 0.717 294 K HN 0.244 nan 8.250 nan 0.000 0.438 295 A N 0.511 123.253 122.820 -0.131 0.000 2.024 295 A HA 0.088 4.406 4.320 -0.003 0.000 0.220 295 A C 2.178 179.709 177.584 -0.089 0.000 1.164 295 A CA 1.508 53.475 52.037 -0.117 0.000 0.643 295 A CB -0.253 18.733 19.000 -0.023 0.000 0.806 295 A HN 0.426 nan 8.150 nan 0.000 0.451 296 L N -2.570 118.642 121.223 -0.018 0.000 2.640 296 L HA 0.186 4.524 4.340 -0.003 0.000 0.230 296 L C 0.126 177.194 176.870 0.329 0.000 1.123 296 L CA -0.131 54.797 54.840 0.147 0.000 0.900 296 L CB -0.295 41.832 42.059 0.114 0.000 1.146 296 L HN 0.582 nan 8.230 nan 0.000 0.484 297 H N -0.931 118.226 119.070 0.144 0.000 2.770 297 H HA -0.142 4.412 4.556 -0.003 0.000 0.309 297 H C -0.372 175.140 175.328 0.306 0.000 1.206 297 H CA 0.241 56.394 56.048 0.176 0.000 1.147 297 H CB -2.050 27.758 29.762 0.078 0.000 1.422 297 H HN 0.212 nan 8.280 nan 0.000 0.420 298 L N -0.595 120.792 121.223 0.274 0.000 2.343 298 L HA 0.754 5.092 4.340 -0.003 0.000 0.275 298 L C 0.993 177.995 176.870 0.220 0.000 1.056 298 L CA -0.115 54.904 54.840 0.298 0.000 0.804 298 L CB 1.603 43.742 42.059 0.132 0.000 1.203 298 L HN 0.337 nan 8.230 nan 0.000 0.440 299 A N 1.146 124.120 122.820 0.257 0.000 3.509 299 A HA 0.888 5.206 4.320 -0.003 0.000 0.188 299 A C 0.031 177.703 177.584 0.147 0.000 1.116 299 A CA -0.022 52.071 52.037 0.093 0.000 0.859 299 A CB 0.184 19.142 19.000 -0.071 0.000 1.471 299 A HN 0.683 nan 8.150 nan 0.000 0.606 300 G N -1.348 107.488 108.800 0.059 0.000 2.547 300 G HA2 0.489 4.447 3.960 -0.003 0.000 0.291 300 G HA3 0.489 4.447 3.960 -0.003 0.000 0.291 300 G C -1.684 173.306 174.900 0.150 0.000 1.211 300 G CA -0.841 44.311 45.100 0.087 0.000 0.950 300 G HN 0.356 nan 8.290 nan 0.000 0.504 301 P HA -0.004 nan 4.420 nan 0.000 0.218 301 P C 1.619 179.004 177.300 0.142 0.000 1.149 301 P CA 1.848 65.074 63.100 0.211 0.000 0.817 301 P CB 0.046 31.870 31.700 0.206 0.000 0.785 302 E N 0.349 120.583 120.200 0.056 0.000 2.333 302 E HA -0.117 4.231 4.350 -0.003 0.000 0.198 302 E C 1.986 178.539 176.600 -0.079 0.000 1.007 302 E CA 1.389 57.789 56.400 0.001 0.000 0.845 302 E CB -1.490 28.203 29.700 -0.011 0.000 0.766 302 E HN 0.253 nan 8.360 nan 0.000 0.507 303 S N -0.897 114.688 115.700 -0.191 0.000 2.562 303 S HA 0.291 4.759 4.470 -0.003 0.000 0.221 303 S C -0.359 173.857 174.600 -0.639 0.000 0.975 303 S CA -0.164 57.771 58.200 -0.442 0.000 0.918 303 S CB -0.100 62.706 63.200 -0.657 0.000 0.772 303 S HN 0.452 nan 8.310 nan 0.000 0.531 304 F N 1.871 121.775 119.950 -0.076 0.000 2.449 304 F HA 0.456 4.981 4.527 -0.003 0.000 0.342 304 F C 0.986 176.717 175.800 -0.115 0.000 1.127 304 F CA -1.432 56.496 58.000 -0.120 0.000 0.975 304 F CB 0.856 39.768 39.000 -0.147 0.000 1.146 304 F HN -0.183 nan 8.300 nan 0.000 0.444 305 N N 1.371 120.075 118.700 0.007 0.000 2.192 305 N HA -0.236 4.503 4.740 -0.003 0.000 0.188 305 N C 1.375 176.936 175.510 0.085 0.000 1.013 305 N CA 1.467 54.503 53.050 -0.022 0.000 0.863 305 N CB -0.206 38.215 38.487 -0.110 0.000 0.990 305 N HN 0.515 nan 8.380 nan 0.000 0.430 306 Y N 0.203 120.477 120.300 -0.043 0.000 2.529 306 Y HA 0.199 4.747 4.550 -0.003 0.000 0.290 306 Y C 1.701 177.466 175.900 -0.224 0.000 1.177 306 Y CA 0.122 58.122 58.100 -0.167 0.000 1.305 306 Y CB -0.088 38.199 38.460 -0.288 0.000 1.047 306 Y HN 0.026 nan 8.280 nan 0.000 0.522 307 L N -0.444 120.795 121.223 0.027 0.000 2.966 307 L HA 0.157 4.495 4.340 -0.003 0.000 0.262 307 L C 0.770 177.688 176.870 0.081 0.000 1.165 307 L CA 0.222 55.073 54.840 0.019 0.000 0.978 307 L CB 0.153 42.194 42.059 -0.032 0.000 1.337 307 L HN 0.072 nan 8.230 nan 0.000 0.563 308 N N -0.537 118.196 118.700 0.054 0.000 2.235 308 N HA -0.041 4.697 4.740 -0.003 0.000 0.231 308 N C 1.063 176.579 175.510 0.010 0.000 1.177 308 N CA -0.216 52.855 53.050 0.035 0.000 0.874 308 N CB 0.174 38.674 38.487 0.021 0.000 1.097 308 N HN 0.465 nan 8.380 nan 0.000 0.518 309 Q N -0.716 119.080 119.800 -0.005 0.000 2.396 309 Q HA 0.120 4.458 4.340 -0.003 0.000 0.220 309 Q C 1.153 177.115 176.000 -0.063 0.000 0.900 309 Q CA 0.883 56.671 55.803 -0.025 0.000 0.925 309 Q CB -0.156 28.572 28.738 -0.017 0.000 1.065 309 Q HN 0.271 nan 8.270 nan 0.000 0.535 310 S N 0.038 115.684 115.700 -0.090 0.000 2.461 310 S HA 0.230 4.698 4.470 -0.003 0.000 0.228 310 S C 1.636 176.190 174.600 -0.077 0.000 1.005 310 S CA 0.656 58.784 58.200 -0.120 0.000 0.942 310 S CB 0.008 63.119 63.200 -0.148 0.000 0.776 310 S HN 0.750 nan 8.310 nan 0.000 0.514 311 G N 0.044 108.816 108.800 -0.048 0.000 2.176 311 G HA2 -0.263 3.696 3.960 -0.003 0.000 0.253 311 G HA3 -0.263 3.696 3.960 -0.003 0.000 0.253 311 G C 0.118 174.994 174.900 -0.040 0.000 0.979 311 G CA -0.010 45.069 45.100 -0.036 0.000 0.641 311 G HN 1.132 nan 8.290 nan 0.000 0.530 312 C N 1.143 120.411 119.300 -0.053 0.000 2.346 312 C HA 0.714 5.173 4.460 -0.003 0.000 0.326 312 C C 1.590 176.524 174.990 -0.094 0.000 1.224 312 C CA 0.140 59.112 59.018 -0.077 0.000 1.408 312 C CB 0.748 28.426 27.740 -0.104 0.000 2.089 312 C HN 1.225 nan 8.230 nan 0.000 0.456 313 V N 1.365 121.228 119.914 -0.084 0.000 3.605 313 V HA 0.449 4.567 4.120 -0.003 0.000 0.284 313 V C 0.071 176.027 176.094 -0.230 0.000 1.386 313 V CA 0.634 62.872 62.300 -0.102 0.000 1.053 313 V CB -0.101 31.783 31.823 0.101 0.000 0.857 313 V HN 0.778 nan 8.190 nan 0.000 0.436 314 D N 0.617 120.911 120.400 -0.177 0.000 2.527 314 D HA 0.640 5.278 4.640 -0.003 0.000 0.233 314 D C -0.925 175.289 176.300 -0.144 0.000 1.063 314 D CA -0.236 53.678 54.000 -0.144 0.000 0.880 314 D CB 3.011 43.767 40.800 -0.074 0.000 1.457 314 D HN 0.190 nan 8.370 nan 0.000 0.475 315 I N 0.962 121.457 120.570 -0.125 0.000 2.433 315 I HA 0.273 4.441 4.170 -0.003 0.000 0.292 315 I C 0.770 176.847 176.117 -0.066 0.000 1.001 315 I CA -0.926 60.317 61.300 -0.095 0.000 1.119 315 I CB 1.475 39.419 38.000 -0.094 0.000 1.289 315 I HN 0.253 nan 8.210 nan 0.000 0.438 316 K N 4.090 124.457 120.400 -0.054 0.000 2.472 316 K HA 0.396 4.714 4.320 -0.003 0.000 0.280 316 K C 1.061 177.642 176.600 -0.033 0.000 1.028 316 K CA 0.451 56.713 56.287 -0.041 0.000 1.045 316 K CB -0.477 31.999 32.500 -0.039 0.000 0.902 316 K HN 1.183 nan 8.250 nan 0.000 0.478 317 G N -0.023 108.761 108.800 -0.026 0.000 2.157 317 G HA2 -0.150 3.808 3.960 -0.003 0.000 0.248 317 G HA3 -0.150 3.808 3.960 -0.003 0.000 0.248 317 G C 0.056 174.943 174.900 -0.021 0.000 0.979 317 G CA 0.161 45.251 45.100 -0.018 0.000 0.650 317 G HN 1.395 nan 8.290 nan 0.000 0.529 318 V N 0.737 120.630 119.914 -0.035 0.000 2.540 318 V HA 0.741 4.859 4.120 -0.003 0.000 0.302 318 V C 0.339 176.413 176.094 -0.033 0.000 1.035 318 V CA -0.050 62.224 62.300 -0.043 0.000 0.873 318 V CB 1.878 33.651 31.823 -0.082 0.000 0.992 318 V HN 0.588 nan 8.190 nan 0.000 0.428 319 S N 2.797 118.486 115.700 -0.017 0.000 2.423 319 S HA 0.213 4.681 4.470 -0.003 0.000 0.317 319 S C 0.769 175.374 174.600 0.009 0.000 1.065 319 S CA -0.657 57.542 58.200 -0.002 0.000 1.111 319 S CB 0.481 63.686 63.200 0.009 0.000 0.968 319 S HN 0.748 nan 8.310 nan 0.000 0.474 320 D N 3.195 123.603 120.400 0.014 0.000 2.178 320 D HA -0.115 4.523 4.640 -0.003 0.000 0.201 320 D C 2.100 178.440 176.300 0.067 0.000 0.980 320 D CA 1.555 55.579 54.000 0.040 0.000 0.842 320 D CB -0.087 40.752 40.800 0.065 0.000 0.948 320 D HN 0.741 nan 8.370 nan 0.000 0.472 321 S N 0.669 116.401 115.700 0.053 0.000 2.368 321 S HA -0.149 4.319 4.470 -0.003 0.000 0.225 321 S C 2.057 176.721 174.600 0.107 0.000 1.030 321 S CA 0.970 59.219 58.200 0.081 0.000 0.999 321 S CB -0.367 62.863 63.200 0.051 0.000 0.844 321 S HN 0.088 nan 8.310 nan 0.000 0.459 322 E N 1.043 121.283 120.200 0.067 0.000 2.106 322 E HA -0.058 4.290 4.350 -0.003 0.000 0.192 322 E C 2.286 178.925 176.600 0.064 0.000 0.984 322 E CA 1.148 57.581 56.400 0.055 0.000 0.806 322 E CB -0.507 29.212 29.700 0.032 0.000 0.750 322 E HN 0.648 nan 8.360 nan 0.000 0.458 323 E N -0.289 119.954 120.200 0.072 0.000 2.110 323 E HA -0.101 4.247 4.350 -0.003 0.000 0.193 323 E C 1.852 178.529 176.600 0.128 0.000 0.988 323 E CA 0.729 57.175 56.400 0.076 0.000 0.804 323 E CB -0.485 29.246 29.700 0.052 0.000 0.745 323 E HN 0.396 nan 8.360 nan 0.000 0.458 324 F N 2.275 122.215 119.950 -0.017 0.000 2.134 324 F HA -0.239 4.286 4.527 -0.003 0.000 0.299 324 F C 2.554 178.346 175.800 -0.014 0.000 1.097 324 F CA 1.634 59.611 58.000 -0.038 0.000 1.264 324 F CB -0.411 38.536 39.000 -0.089 0.000 1.001 324 F HN -0.116 nan 8.300 nan 0.000 0.479 325 K N 0.599 120.990 120.400 -0.015 0.000 2.097 325 K HA -0.107 4.211 4.320 -0.003 0.000 0.206 325 K C 2.246 178.799 176.600 -0.078 0.000 1.049 325 K CA 1.584 57.813 56.287 -0.097 0.000 0.933 325 K CB -0.908 31.584 32.500 -0.013 0.000 0.717 325 K HN 0.544 nan 8.250 nan 0.000 0.442 326 I N 0.551 121.108 120.570 -0.021 0.000 2.315 326 I HA -0.202 3.966 4.170 -0.003 0.000 0.248 326 I C 2.510 178.626 176.117 -0.001 0.000 1.117 326 I CA 1.777 63.077 61.300 -0.000 0.000 1.404 326 I CB -0.416 37.599 38.000 0.026 0.000 1.071 326 I HN 0.328 nan 8.210 nan 0.000 0.419 327 T N 0.454 115.004 114.554 -0.006 0.000 2.708 327 T HA -0.145 4.204 4.350 -0.003 0.000 0.266 327 T C 2.028 176.716 174.700 -0.021 0.000 1.037 327 T CA 1.172 63.287 62.100 0.026 0.000 1.146 327 T CB -0.192 68.725 68.868 0.083 0.000 0.865 327 T HN 0.290 nan 8.240 nan 0.000 0.435 328 R N 0.971 121.373 120.500 -0.164 0.000 2.096 328 R HA -0.054 4.285 4.340 -0.003 0.000 0.235 328 R C 2.677 178.949 176.300 -0.046 0.000 1.127 328 R CA 1.172 57.191 56.100 -0.135 0.000 0.968 328 R CB -0.288 29.842 30.300 -0.284 0.000 0.861 328 R HN 0.579 nan 8.270 nan 0.000 0.440 329 Q N 0.149 119.923 119.800 -0.044 0.000 2.124 329 Q HA -0.091 4.247 4.340 -0.003 0.000 0.202 329 Q C 2.205 178.215 176.000 0.017 0.000 0.977 329 Q CA 1.490 57.288 55.803 -0.009 0.000 0.850 329 Q CB -0.156 28.577 28.738 -0.008 0.000 0.901 329 Q HN 0.334 nan 8.270 nan 0.000 0.429 330 A N 1.101 123.937 122.820 0.026 0.000 1.902 330 A HA -0.177 4.141 4.320 -0.003 0.000 0.217 330 A C 2.108 179.744 177.584 0.087 0.000 1.181 330 A CA 1.362 53.430 52.037 0.051 0.000 0.623 330 A CB -0.523 18.515 19.000 0.062 0.000 0.818 330 A HN 0.277 nan 8.150 nan 0.000 0.443 331 M N -0.422 119.231 119.600 0.088 0.000 2.149 331 M HA -0.178 4.300 4.480 -0.003 0.000 0.261 331 M C 1.483 177.907 176.300 0.207 0.000 1.064 331 M CA 1.623 57.029 55.300 0.176 0.000 1.102 331 M CB -0.661 31.942 32.600 0.006 0.000 1.369 331 M HN 0.342 nan 8.290 nan 0.000 0.408 332 D N 0.790 121.251 120.400 0.100 0.000 2.097 332 D HA -0.110 4.528 4.640 -0.003 0.000 0.195 332 D C 1.904 178.229 176.300 0.043 0.000 0.989 332 D CA 1.405 55.445 54.000 0.067 0.000 0.827 332 D CB -0.313 40.508 40.800 0.034 0.000 0.966 332 D HN 0.380 nan 8.370 nan 0.000 0.456 333 I N 0.456 121.046 120.570 0.034 0.000 2.252 333 I HA -0.203 3.965 4.170 -0.003 0.000 0.245 333 I C 2.412 178.520 176.117 -0.015 0.000 1.102 333 I CA 0.534 61.838 61.300 0.006 0.000 1.385 333 I CB -0.056 37.948 38.000 0.006 0.000 1.064 333 I HN -0.130 nan 8.210 nan 0.000 0.414 334 V N 0.460 120.378 119.914 0.006 0.000 2.515 334 V HA -0.056 4.062 4.120 -0.003 0.000 0.250 334 V C 1.640 177.636 176.094 -0.164 0.000 1.058 334 V CA 1.699 63.961 62.300 -0.064 0.000 1.064 334 V CB -0.665 31.156 31.823 -0.004 0.000 0.675 334 V HN 0.756 nan 8.190 nan 0.000 0.461 335 G N -1.152 107.589 108.800 -0.099 0.000 2.148 335 G HA2 -0.181 3.777 3.960 -0.003 0.000 0.157 335 G HA3 -0.181 3.777 3.960 -0.003 0.000 0.157 335 G C -0.124 174.672 174.900 -0.175 0.000 1.012 335 G CA -0.563 44.451 45.100 -0.142 0.000 0.677 335 G HN 0.315 nan 8.290 nan 0.000 0.506 336 F N 2.924 122.824 119.950 -0.083 0.000 2.538 336 F HA 0.446 4.971 4.527 -0.003 0.000 0.371 336 F C 1.615 177.399 175.800 -0.027 0.000 1.087 336 F CA 0.557 58.518 58.000 -0.065 0.000 1.250 336 F CB 0.893 39.851 39.000 -0.070 0.000 1.110 336 F HN 0.282 nan 8.300 nan 0.000 0.570 337 S N 2.217 118.012 115.700 0.158 0.000 2.596 337 S HA 0.035 4.503 4.470 -0.003 0.000 0.260 337 S C 1.019 175.685 174.600 0.111 0.000 1.336 337 S CA -0.701 57.561 58.200 0.103 0.000 0.993 337 S CB 1.097 64.343 63.200 0.076 0.000 0.923 337 S HN 0.704 nan 8.310 nan 0.000 0.567 338 Q N 0.980 120.828 119.800 0.079 0.000 2.096 338 Q HA -0.023 4.315 4.340 -0.003 0.000 0.204 338 Q C 2.693 178.737 176.000 0.074 0.000 0.982 338 Q CA 2.554 58.402 55.803 0.075 0.000 0.850 338 Q CB -1.112 27.663 28.738 0.061 0.000 0.901 338 Q HN 0.992 nan 8.270 nan 0.000 0.422 339 E N 0.549 120.789 120.200 0.068 0.000 2.106 339 E HA -0.219 4.129 4.350 -0.003 0.000 0.192 339 E C 1.734 178.369 176.600 0.058 0.000 0.984 339 E CA 1.451 57.887 56.400 0.059 0.000 0.806 339 E CB -0.666 29.066 29.700 0.053 0.000 0.750 339 E HN 0.669 nan 8.360 nan 0.000 0.458 340 E N -0.108 120.150 120.200 0.096 0.000 2.077 340 E HA -0.205 4.143 4.350 -0.003 0.000 0.193 340 E C 2.516 179.123 176.600 0.013 0.000 0.989 340 E CA 1.315 57.798 56.400 0.138 0.000 0.800 340 E CB -0.090 29.815 29.700 0.341 0.000 0.746 340 E HN 0.628 nan 8.360 nan 0.000 0.452 341 Q N -0.237 119.552 119.800 -0.018 0.000 2.079 341 Q HA -0.125 4.213 4.340 -0.003 0.000 0.200 341 Q C 2.246 178.111 176.000 -0.224 0.000 0.974 341 Q CA 0.925 56.604 55.803 -0.207 0.000 0.840 341 Q CB -0.046 28.672 28.738 -0.032 0.000 0.898 341 Q HN 0.268 nan 8.270 nan 0.000 0.430 342 M N 0.161 119.770 119.600 0.014 0.000 2.159 342 M HA -0.140 4.338 4.480 -0.003 0.000 0.263 342 M C 2.107 178.429 176.300 0.037 0.000 1.063 342 M CA 1.413 56.776 55.300 0.104 0.000 1.110 342 M CB -0.438 32.227 32.600 0.109 0.000 1.374 342 M HN 0.112 nan 8.290 nan 0.000 0.411 343 S N 0.734 116.419 115.700 -0.025 0.000 2.368 343 S HA -0.070 4.398 4.470 -0.003 0.000 0.224 343 S C 1.868 176.410 174.600 -0.096 0.000 1.029 343 S CA 0.995 59.169 58.200 -0.043 0.000 0.988 343 S CB -0.263 62.895 63.200 -0.070 0.000 0.838 343 S HN 0.424 nan 8.310 nan 0.000 0.462 344 I N 0.579 121.010 120.570 -0.232 0.000 2.163 344 I HA -0.223 3.945 4.170 -0.003 0.000 0.243 344 I C 1.814 177.827 176.117 -0.174 0.000 1.085 344 I CA 1.587 62.703 61.300 -0.308 0.000 1.347 344 I CB -0.446 37.221 38.000 -0.555 0.000 1.044 344 I HN 0.263 nan 8.210 nan 0.000 0.408 345 F N 0.759 120.768 119.950 0.099 0.000 2.325 345 F HA -0.121 4.404 4.527 -0.003 0.000 0.299 345 F C 2.461 178.291 175.800 0.051 0.000 1.090 345 F CA 0.704 58.763 58.000 0.099 0.000 1.392 345 F CB -0.345 38.739 39.000 0.141 0.000 1.053 345 F HN -0.106 nan 8.300 nan 0.000 0.521 346 K N 0.690 121.189 120.400 0.165 0.000 2.097 346 K HA -0.153 4.165 4.320 -0.003 0.000 0.206 346 K C 1.888 178.502 176.600 0.025 0.000 1.049 346 K CA 1.357 57.690 56.287 0.076 0.000 0.933 346 K CB -0.260 32.275 32.500 0.059 0.000 0.717 346 K HN 0.292 nan 8.250 nan 0.000 0.442 347 I N 0.839 121.485 120.570 0.126 0.000 2.252 347 I HA -0.257 3.912 4.170 -0.003 0.000 0.245 347 I C 1.998 178.275 176.117 0.266 0.000 1.102 347 I CA 0.722 62.193 61.300 0.285 0.000 1.385 347 I CB -0.150 38.004 38.000 0.257 0.000 1.064 347 I HN 0.109 nan 8.210 nan 0.000 0.414 348 I N 1.065 121.760 120.570 0.208 0.000 2.179 348 I HA -0.262 3.907 4.170 -0.003 0.000 0.242 348 I C 2.827 179.029 176.117 0.142 0.000 1.088 348 I CA 1.749 63.164 61.300 0.191 0.000 1.357 348 I CB -1.566 36.486 38.000 0.085 0.000 1.051 348 I HN 0.178 nan 8.210 nan 0.000 0.409 349 A N 0.886 123.723 122.820 0.028 0.000 1.930 349 A HA -0.063 4.255 4.320 -0.003 0.000 0.217 349 A C 2.508 179.990 177.584 -0.170 0.000 1.175 349 A CA 1.712 53.676 52.037 -0.122 0.000 0.627 349 A CB -1.296 17.690 19.000 -0.024 0.000 0.815 349 A HN 0.427 nan 8.150 nan 0.000 0.443 350 G N -0.013 108.662 108.800 -0.207 0.000 2.422 350 G HA2 -0.196 3.762 3.960 -0.003 0.000 0.218 350 G HA3 -0.196 3.762 3.960 -0.003 0.000 0.218 350 G C 1.526 176.487 174.900 0.101 0.000 1.146 350 G CA 1.100 45.904 45.100 -0.494 0.000 0.769 350 G HN 0.469 nan 8.290 nan 0.000 0.547 351 I N 0.306 121.074 120.570 0.330 0.000 2.179 351 I HA -0.145 4.023 4.170 -0.003 0.000 0.242 351 I C 2.721 178.997 176.117 0.266 0.000 1.088 351 I CA 0.765 62.338 61.300 0.455 0.000 1.357 351 I CB -0.157 38.171 38.000 0.547 0.000 1.051 351 I HN 0.140 nan 8.210 nan 0.000 0.409 352 L N -0.407 120.828 121.223 0.019 0.000 2.083 352 L HA -0.254 4.084 4.340 -0.003 0.000 0.209 352 L C 2.706 179.465 176.870 -0.185 0.000 1.083 352 L CA 1.171 55.839 54.840 -0.288 0.000 0.752 352 L CB -1.003 40.491 42.059 -0.942 0.000 0.899 352 L HN 0.364 nan 8.230 nan 0.000 0.433 353 H N 0.036 119.120 119.070 0.023 0.000 2.353 353 H HA -0.102 4.452 4.556 -0.003 0.000 0.300 353 H C 2.422 177.776 175.328 0.044 0.000 1.090 353 H CA 1.310 57.407 56.048 0.082 0.000 1.327 353 H CB -0.323 29.462 29.762 0.039 0.000 1.383 353 H HN 0.297 nan 8.280 nan 0.000 0.508 354 L N -0.102 121.258 121.223 0.229 0.000 2.081 354 L HA -0.132 4.206 4.340 -0.003 0.000 0.212 354 L C 2.720 179.590 176.870 0.001 0.000 1.080 354 L CA 1.221 56.182 54.840 0.202 0.000 0.754 354 L CB -0.706 41.565 42.059 0.353 0.000 0.893 354 L HN 0.309 nan 8.230 nan 0.000 0.433 355 G N -0.702 107.926 108.800 -0.286 0.000 2.471 355 G HA2 -0.220 3.738 3.960 -0.003 0.000 0.219 355 G HA3 -0.220 3.738 3.960 -0.003 0.000 0.219 355 G C 1.283 175.894 174.900 -0.482 0.000 1.125 355 G CA 0.444 44.944 45.100 -0.999 0.000 0.775 355 G HN 0.323 nan 8.290 nan 0.000 0.548 356 N N 0.114 118.689 118.700 -0.209 0.000 2.412 356 N HA 0.122 4.860 4.740 -0.003 0.000 0.184 356 N C 0.710 176.142 175.510 -0.130 0.000 1.101 356 N CA -0.161 52.820 53.050 -0.115 0.000 0.881 356 N CB 0.129 38.615 38.487 -0.001 0.000 0.969 356 N HN 0.290 nan 8.380 nan 0.000 0.459 357 I N 1.156 121.629 120.570 -0.161 0.000 2.683 357 I HA -0.078 4.091 4.170 -0.003 0.000 0.286 357 I C 0.819 176.705 176.117 -0.384 0.000 1.175 357 I CA 0.424 61.545 61.300 -0.299 0.000 1.429 357 I CB 0.389 38.155 38.000 -0.389 0.000 1.371 357 I HN -0.138 nan 8.210 nan 0.000 0.569 358 K N 7.563 127.738 120.400 -0.376 0.000 2.507 358 K HA 0.391 4.709 4.320 -0.003 0.000 0.253 358 K C -1.146 175.301 176.600 -0.255 0.000 0.969 358 K CA -0.589 55.557 56.287 -0.235 0.000 0.908 358 K CB 0.701 33.136 32.500 -0.109 0.000 1.127 358 K HN 0.217 nan 8.250 nan 0.000 0.437 359 F N 2.228 122.195 119.950 0.030 0.000 2.418 359 F HA 0.265 4.790 4.527 -0.003 0.000 0.341 359 F C 0.690 176.507 175.800 0.029 0.000 1.120 359 F CA -0.012 58.009 58.000 0.036 0.000 1.232 359 F CB 1.037 40.065 39.000 0.047 0.000 1.175 359 F HN 0.509 nan 8.300 nan 0.000 0.569 360 E N 0.618 120.943 120.200 0.208 0.000 2.369 360 E HA 0.242 4.590 4.350 -0.003 0.000 0.270 360 E C -0.983 175.677 176.600 0.101 0.000 0.909 360 E CA -1.203 55.268 56.400 0.119 0.000 0.775 360 E CB 1.681 31.423 29.700 0.069 0.000 1.270 360 E HN 0.308 nan 8.360 nan 0.000 0.445 361 K N 1.111 121.546 120.400 0.058 0.000 2.416 361 K HA 0.169 4.487 4.320 -0.003 0.000 0.283 361 K C 0.077 176.689 176.600 0.021 0.000 1.037 361 K CA 0.086 56.389 56.287 0.026 0.000 0.995 361 K CB 0.498 33.004 32.500 0.010 0.000 0.938 361 K HN 0.675 nan 8.250 nan 0.000 0.475 362 G N 2.276 111.077 108.800 0.002 0.000 2.494 362 G HA2 0.261 4.220 3.960 -0.003 0.000 0.270 362 G HA3 0.261 4.220 3.960 -0.003 0.000 0.270 362 G C 0.899 175.791 174.900 -0.014 0.000 1.423 362 G CA 0.271 45.373 45.100 0.004 0.000 1.055 362 G HN 0.713 nan 8.290 nan 0.000 0.536 363 A N -1.040 121.775 122.820 -0.009 0.000 1.940 363 A HA 0.197 4.515 4.320 -0.003 0.000 0.219 363 A C 1.765 179.332 177.584 -0.029 0.000 1.176 363 A CA 2.276 54.306 52.037 -0.012 0.000 0.631 363 A CB -0.959 18.040 19.000 -0.001 0.000 0.814 363 A HN 1.068 nan 8.150 nan 0.000 0.446 364 G N -2.952 105.813 108.800 -0.058 0.000 2.945 364 G HA2 0.436 4.394 3.960 -0.003 0.000 0.156 364 G HA3 0.436 4.394 3.960 -0.003 0.000 0.156 364 G C 0.890 175.730 174.900 -0.099 0.000 1.375 364 G CA 0.821 45.876 45.100 -0.075 0.000 1.039 364 G HN 0.417 nan 8.290 nan 0.000 0.586 365 E N -0.759 119.369 120.200 -0.120 0.000 2.216 365 E HA 0.274 4.622 4.350 -0.003 0.000 0.192 365 E C 1.482 177.972 176.600 -0.184 0.000 0.988 365 E CA 0.572 56.903 56.400 -0.115 0.000 0.834 365 E CB -0.641 29.010 29.700 -0.082 0.000 0.772 365 E HN 0.850 nan 8.360 nan 0.000 0.479 366 G N -0.026 108.543 108.800 -0.385 0.000 2.442 366 G HA2 0.492 4.450 3.960 -0.003 0.000 0.249 366 G HA3 0.492 4.450 3.960 -0.003 0.000 0.249 366 G C 0.370 175.050 174.900 -0.367 0.000 1.263 366 G CA 0.154 44.821 45.100 -0.721 0.000 0.846 366 G HN 0.769 nan 8.290 nan 0.000 0.555 367 A N 0.503 123.291 122.820 -0.054 0.000 2.332 367 A HA 0.670 4.989 4.320 -0.003 0.000 0.258 367 A C 0.499 178.244 177.584 0.268 0.000 1.087 367 A CA 0.200 52.304 52.037 0.111 0.000 0.802 367 A CB 0.689 19.746 19.000 0.094 0.000 1.042 367 A HN 1.957 nan 8.150 nan 0.000 0.489 368 V N -1.037 119.012 119.914 0.224 0.000 3.141 368 V HA 0.808 4.926 4.120 -0.003 0.000 0.312 368 V C -1.051 175.171 176.094 0.213 0.000 1.157 368 V CA -0.994 61.435 62.300 0.215 0.000 1.041 368 V CB 1.748 33.654 31.823 0.138 0.000 1.071 368 V HN 0.865 nan 8.190 nan 0.000 0.441 369 L N 1.952 123.264 121.223 0.150 0.000 2.324 369 L HA 0.592 4.930 4.340 -0.003 0.000 0.274 369 L C 0.786 177.673 176.870 0.029 0.000 1.012 369 L CA 0.161 55.042 54.840 0.067 0.000 0.859 369 L CB 1.084 43.171 42.059 0.048 0.000 1.224 369 L HN 0.843 nan 8.230 nan 0.000 0.429 370 K N 1.208 121.615 120.400 0.013 0.000 2.137 370 K HA 0.078 4.396 4.320 -0.003 0.000 0.202 370 K C 0.033 176.623 176.600 -0.017 0.000 1.052 370 K CA 0.517 56.806 56.287 0.003 0.000 0.961 370 K CB 0.281 32.785 32.500 0.006 0.000 0.741 370 K HN 0.471 nan 8.250 nan 0.000 0.452 371 D N 0.968 121.346 120.400 -0.037 0.000 2.303 371 D HA 0.130 4.769 4.640 -0.003 0.000 0.236 371 D C -0.465 175.796 176.300 -0.066 0.000 1.068 371 D CA -0.199 53.773 54.000 -0.048 0.000 0.830 371 D CB 1.257 42.025 40.800 -0.054 0.000 1.109 371 D HN -0.146 nan 8.370 nan 0.000 0.496 372 K N 2.109 122.474 120.400 -0.058 0.000 2.440 372 K HA 0.121 4.439 4.320 -0.003 0.000 0.206 372 K C 1.268 177.821 176.600 -0.079 0.000 1.025 372 K CA -0.111 56.137 56.287 -0.065 0.000 1.135 372 K CB 0.680 33.153 32.500 -0.045 0.000 0.856 372 K HN 0.338 nan 8.250 nan 0.000 0.502 373 T N 1.097 115.601 114.554 -0.083 0.000 2.674 373 T HA -0.201 4.147 4.350 -0.003 0.000 0.265 373 T C 2.055 176.676 174.700 -0.131 0.000 1.039 373 T CA 1.729 63.768 62.100 -0.101 0.000 1.150 373 T CB -0.104 68.715 68.868 -0.082 0.000 0.864 373 T HN 0.355 nan 8.240 nan 0.000 0.427 374 A N 1.174 123.938 122.820 -0.095 0.000 1.902 374 A HA 0.013 4.331 4.320 -0.003 0.000 0.217 374 A C 2.289 179.834 177.584 -0.065 0.000 1.181 374 A CA 1.408 53.408 52.037 -0.062 0.000 0.623 374 A CB -0.909 18.089 19.000 -0.004 0.000 0.818 374 A HN 0.427 nan 8.150 nan 0.000 0.443 375 L N 0.446 121.633 121.223 -0.060 0.000 2.013 375 L HA -0.253 4.085 4.340 -0.003 0.000 0.212 375 L C 1.912 178.754 176.870 -0.046 0.000 1.073 375 L CA 2.523 57.349 54.840 -0.023 0.000 0.753 375 L CB -0.588 41.453 42.059 -0.030 0.000 0.890 375 L HN 0.353 nan 8.230 nan 0.000 0.432 376 N N 0.080 118.720 118.700 -0.101 0.000 2.142 376 N HA -0.111 4.627 4.740 -0.003 0.000 0.186 376 N C 1.823 177.197 175.510 -0.226 0.000 1.023 376 N CA 1.558 54.527 53.050 -0.134 0.000 0.852 376 N CB -0.569 37.838 38.487 -0.134 0.000 0.998 376 N HN 0.566 nan 8.380 nan 0.000 0.424 377 A N 0.962 123.567 122.820 -0.359 0.000 1.898 377 A HA 0.092 4.410 4.320 -0.003 0.000 0.216 377 A C 2.363 179.683 177.584 -0.439 0.000 1.181 377 A CA 1.762 53.420 52.037 -0.631 0.000 0.620 377 A CB -0.846 17.520 19.000 -1.056 0.000 0.819 377 A HN 0.294 nan 8.150 nan 0.000 0.442 378 A N -0.303 122.391 122.820 -0.209 0.000 1.883 378 A HA -0.125 4.193 4.320 -0.003 0.000 0.217 378 A C 2.449 180.066 177.584 0.055 0.000 1.186 378 A CA 2.249 54.284 52.037 -0.002 0.000 0.624 378 A CB -0.982 18.172 19.000 0.256 0.000 0.822 378 A HN 0.461 nan 8.150 nan 0.000 0.444 379 S N -0.636 115.099 115.700 0.059 0.000 2.382 379 S HA -0.123 4.345 4.470 -0.003 0.000 0.228 379 S C 2.030 176.633 174.600 0.005 0.000 1.027 379 S CA 1.711 59.945 58.200 0.058 0.000 0.991 379 S CB -0.529 62.665 63.200 -0.009 0.000 0.823 379 S HN 0.707 nan 8.310 nan 0.000 0.469 380 T N 2.260 116.779 114.554 -0.057 0.000 2.708 380 T HA -0.094 4.254 4.350 -0.003 0.000 0.266 380 T C 2.173 176.864 174.700 -0.015 0.000 1.037 380 T CA 1.615 63.687 62.100 -0.046 0.000 1.146 380 T CB -0.515 68.304 68.868 -0.082 0.000 0.865 380 T HN 0.450 nan 8.240 nan 0.000 0.435 381 V N -0.871 119.009 119.914 -0.056 0.000 2.453 381 V HA 0.004 4.122 4.120 -0.003 0.000 0.247 381 V C 2.033 178.106 176.094 -0.034 0.000 1.048 381 V CA 1.406 63.672 62.300 -0.056 0.000 1.049 381 V CB -1.207 30.565 31.823 -0.086 0.000 0.672 381 V HN 0.290 nan 8.190 nan 0.000 0.457 382 F N 2.492 122.480 119.950 0.064 0.000 2.502 382 F HA 0.451 4.976 4.527 -0.003 0.000 0.298 382 F C 2.116 177.890 175.800 -0.043 0.000 1.111 382 F CA 0.526 58.557 58.000 0.050 0.000 1.445 382 F CB -0.965 38.082 39.000 0.078 0.000 1.081 382 F HN 0.435 nan 8.300 nan 0.000 0.558 383 G N 1.129 109.987 108.800 0.098 0.000 2.272 383 G HA2 -0.116 3.842 3.960 -0.003 0.000 0.280 383 G HA3 -0.116 3.842 3.960 -0.003 0.000 0.280 383 G C -0.052 174.801 174.900 -0.079 0.000 1.067 383 G CA 0.208 45.312 45.100 0.006 0.000 0.902 383 G HN 0.583 nan 8.290 nan 0.000 0.500 384 V N -3.138 116.697 119.914 -0.131 0.000 3.019 384 V HA 0.808 4.927 4.120 -0.003 0.000 0.317 384 V C 0.417 176.412 176.094 -0.165 0.000 1.094 384 V CA -1.608 60.538 62.300 -0.257 0.000 1.000 384 V CB 2.097 33.560 31.823 -0.600 0.000 1.060 384 V HN 0.306 nan 8.190 nan 0.000 0.443 385 N N 3.099 121.700 118.700 -0.165 0.000 2.411 385 N HA 0.322 5.060 4.740 -0.003 0.000 0.259 385 N C -1.580 173.877 175.510 -0.088 0.000 1.103 385 N CA -1.750 51.237 53.050 -0.105 0.000 0.954 385 N CB 1.702 40.135 38.487 -0.091 0.000 1.085 385 N HN 0.574 nan 8.380 nan 0.000 0.485 386 P HA -0.070 nan 4.420 nan 0.000 0.218 386 P C 1.187 178.474 177.300 -0.023 0.000 1.149 386 P CA 1.191 64.269 63.100 -0.036 0.000 0.817 386 P CB 0.137 31.817 31.700 -0.034 0.000 0.785 387 S N 0.071 115.754 115.700 -0.028 0.000 2.383 387 S HA -0.061 4.407 4.470 -0.003 0.000 0.227 387 S C 2.130 176.719 174.600 -0.018 0.000 1.026 387 S CA 1.544 59.733 58.200 -0.018 0.000 0.981 387 S CB -1.406 61.781 63.200 -0.020 0.000 0.818 387 S HN -0.069 nan 8.310 nan 0.000 0.472 388 V N 1.107 121.001 119.914 -0.033 0.000 2.358 388 V HA -0.129 3.989 4.120 -0.003 0.000 0.246 388 V C 2.399 178.481 176.094 -0.020 0.000 1.047 388 V CA 1.538 63.816 62.300 -0.036 0.000 1.035 388 V CB -0.558 31.228 31.823 -0.062 0.000 0.658 388 V HN 0.636 nan 8.190 nan 0.000 0.452 389 L N 0.358 121.567 121.223 -0.023 0.000 2.017 389 L HA -0.160 4.179 4.340 -0.003 0.000 0.208 389 L C 2.392 179.306 176.870 0.073 0.000 1.073 389 L CA 2.208 57.064 54.840 0.027 0.000 0.745 389 L CB -0.803 41.273 42.059 0.029 0.000 0.894 389 L HN 0.416 nan 8.230 nan 0.000 0.432 390 E N -0.719 119.518 120.200 0.061 0.000 2.058 390 E HA -0.251 4.097 4.350 -0.003 0.000 0.194 390 E C 2.055 178.694 176.600 0.066 0.000 0.997 390 E CA 1.249 57.702 56.400 0.088 0.000 0.801 390 E CB 0.049 29.782 29.700 0.056 0.000 0.746 390 E HN 0.360 nan 8.360 nan 0.000 0.450 391 K N -0.059 120.354 120.400 0.021 0.000 2.057 391 K HA -0.118 4.200 4.320 -0.003 0.000 0.207 391 K C 2.020 178.617 176.600 -0.005 0.000 1.049 391 K CA 1.052 57.332 56.287 -0.012 0.000 0.931 391 K CB -0.314 32.172 32.500 -0.022 0.000 0.714 391 K HN 0.162 nan 8.250 nan 0.000 0.440 392 A N 1.136 123.967 122.820 0.020 0.000 1.969 392 A HA -0.074 4.244 4.320 -0.003 0.000 0.218 392 A C 2.272 179.880 177.584 0.039 0.000 1.169 392 A CA 0.971 53.025 52.037 0.029 0.000 0.635 392 A CB -0.430 18.598 19.000 0.047 0.000 0.810 392 A HN 0.155 nan 8.150 nan 0.000 0.445 393 L N -1.761 119.504 121.223 0.069 0.000 2.044 393 L HA -0.066 4.272 4.340 -0.003 0.000 0.205 393 L C 2.684 179.528 176.870 -0.043 0.000 1.075 393 L CA 1.457 56.334 54.840 0.062 0.000 0.747 393 L CB -0.285 41.901 42.059 0.212 0.000 0.903 393 L HN 0.370 nan 8.230 nan 0.000 0.435 394 M N -1.739 117.846 119.600 -0.024 0.000 2.514 394 M HA 0.064 4.542 4.480 -0.003 0.000 0.258 394 M C 0.078 176.320 176.300 -0.097 0.000 1.159 394 M CA 0.678 55.939 55.300 -0.065 0.000 1.116 394 M CB 0.701 33.301 32.600 0.000 0.000 1.333 394 M HN 0.040 nan 8.290 nan 0.000 0.487 395 E N 1.304 121.439 120.200 -0.109 0.000 4.052 395 E HA 0.231 4.579 4.350 -0.003 0.000 0.219 395 E C -2.461 174.105 176.600 -0.057 0.000 1.166 395 E CA -1.550 54.773 56.400 -0.127 0.000 1.338 395 E CB 0.819 30.391 29.700 -0.214 0.000 1.212 395 E HN 0.124 nan 8.360 nan 0.000 0.432 396 P HA 0.099 nan 4.420 nan 0.000 0.275 396 P C -0.387 176.911 177.300 -0.003 0.000 1.228 396 P CA -0.229 62.867 63.100 -0.008 0.000 0.786 396 P CB 0.983 32.685 31.700 0.003 0.000 0.927 397 R N 2.288 122.790 120.500 0.004 0.000 2.349 397 R HA 0.630 4.969 4.340 -0.003 0.000 0.299 397 R C 0.471 176.781 176.300 0.017 0.000 1.027 397 R CA -0.652 55.452 56.100 0.007 0.000 0.958 397 R CB 0.602 30.906 30.300 0.007 0.000 1.047 397 R HN 0.555 nan 8.270 nan 0.000 0.468 398 I N -1.306 119.274 120.570 0.016 0.000 3.145 398 I HA 0.492 4.660 4.170 -0.003 0.000 0.313 398 I C -0.910 175.218 176.117 0.018 0.000 1.122 398 I CA -1.400 59.913 61.300 0.022 0.000 0.987 398 I CB 1.610 39.623 38.000 0.021 0.000 1.236 398 I HN 0.334 nan 8.210 nan 0.000 0.453 399 L N 2.649 123.883 121.223 0.019 0.000 2.312 399 L HA 0.660 4.998 4.340 -0.003 0.000 0.281 399 L C 0.097 176.973 176.870 0.009 0.000 1.070 399 L CA -0.619 54.228 54.840 0.013 0.000 0.805 399 L CB 1.522 43.589 42.059 0.013 0.000 1.174 399 L HN 0.830 nan 8.230 nan 0.000 0.434 400 A N 2.774 125.598 122.820 0.006 0.000 2.328 400 A HA 0.654 4.972 4.320 -0.003 0.000 0.318 400 A C 0.618 178.203 177.584 0.001 0.000 1.347 400 A CA 0.212 52.251 52.037 0.003 0.000 0.842 400 A CB 0.699 19.700 19.000 0.003 0.000 1.148 400 A HN 1.000 nan 8.150 nan 0.000 0.499 401 G N 2.659 111.459 108.800 -0.000 0.000 2.601 401 G HA2 -0.346 3.612 3.960 -0.003 0.000 0.306 401 G HA3 -0.346 3.612 3.960 -0.003 0.000 0.306 401 G C 0.958 175.858 174.900 0.000 0.000 1.172 401 G CA 0.893 45.993 45.100 -0.001 0.000 0.966 401 G HN 0.802 nan 8.290 nan 0.000 0.542 402 R N 0.874 121.375 120.500 0.001 0.000 2.404 402 R HA 0.228 4.566 4.340 -0.003 0.000 0.237 402 R C 0.214 176.516 176.300 0.004 0.000 0.907 402 R CA 0.091 56.193 56.100 0.003 0.000 1.063 402 R CB 0.281 30.582 30.300 0.002 0.000 1.134 402 R HN 0.485 nan 8.270 nan 0.000 0.529 403 D N 0.935 121.338 120.400 0.004 0.000 2.362 403 D HA 0.036 4.674 4.640 -0.003 0.000 0.242 403 D C -0.944 175.360 176.300 0.006 0.000 1.132 403 D CA -0.071 53.932 54.000 0.005 0.000 0.907 403 D CB 0.954 41.756 40.800 0.004 0.000 1.195 403 D HN -0.172 nan 8.370 nan 0.000 0.429 404 L N 3.993 125.220 121.223 0.007 0.000 2.280 404 L HA 0.415 4.753 4.340 -0.003 0.000 0.287 404 L C -1.307 175.567 176.870 0.007 0.000 1.023 404 L CA -0.502 54.343 54.840 0.008 0.000 0.819 404 L CB 1.302 43.365 42.059 0.008 0.000 1.212 404 L HN 0.148 nan 8.230 nan 0.000 0.420 405 V N 5.051 124.970 119.914 0.008 0.000 2.487 405 V HA 0.689 4.807 4.120 -0.003 0.000 0.298 405 V C 0.321 176.419 176.094 0.007 0.000 1.028 405 V CA -0.726 61.578 62.300 0.007 0.000 0.860 405 V CB 1.500 33.328 31.823 0.009 0.000 0.991 405 V HN 0.913 nan 8.190 nan 0.000 0.427 406 A N 5.045 127.867 122.820 0.003 0.000 2.454 406 A HA 0.525 4.843 4.320 -0.003 0.000 0.260 406 A C 0.279 177.867 177.584 0.006 0.000 1.106 406 A CA -0.288 51.747 52.037 -0.004 0.000 0.780 406 A CB 0.175 19.165 19.000 -0.017 0.000 1.044 406 A HN 0.751 nan 8.150 nan 0.000 0.498 407 Q N 0.652 120.455 119.800 0.006 0.000 2.318 407 Q HA 0.249 4.587 4.340 -0.003 0.000 0.222 407 Q C -0.610 175.421 176.000 0.051 0.000 1.003 407 Q CA 0.086 55.906 55.803 0.029 0.000 0.936 407 Q CB 0.842 29.593 28.738 0.022 0.000 1.204 407 Q HN 0.866 nan 8.270 nan 0.000 0.524 408 H N 0.138 119.200 119.070 -0.014 0.000 2.953 408 H HA 0.384 4.938 4.556 -0.003 0.000 0.290 408 H C -0.696 174.614 175.328 -0.030 0.000 1.113 408 H CA -0.348 55.690 56.048 -0.017 0.000 1.454 408 H CB 0.212 29.970 29.762 -0.008 0.000 1.525 408 H HN 0.356 nan 8.280 nan 0.000 0.505 409 L N 3.660 124.999 121.223 0.194 0.000 2.426 409 L HA 0.081 4.420 4.340 -0.003 0.000 0.271 409 L C 0.792 177.681 176.870 0.032 0.000 1.169 409 L CA -0.573 54.299 54.840 0.054 0.000 0.836 409 L CB 0.320 42.361 42.059 -0.030 0.000 1.112 409 L HN 0.732 nan 8.230 nan 0.000 0.465 410 N N 1.892 120.574 118.700 -0.029 0.000 2.322 410 N HA 0.039 4.777 4.740 -0.003 0.000 0.270 410 N C 0.723 176.197 175.510 -0.061 0.000 1.286 410 N CA -0.634 52.388 53.050 -0.047 0.000 0.948 410 N CB 0.252 38.715 38.487 -0.041 0.000 1.164 410 N HN 0.270 nan 8.380 nan 0.000 0.551 411 V N -0.354 119.545 119.914 -0.023 0.000 2.295 411 V HA -0.213 3.905 4.120 -0.003 0.000 0.246 411 V C 2.488 178.570 176.094 -0.021 0.000 1.049 411 V CA 2.297 64.601 62.300 0.007 0.000 1.024 411 V CB -1.048 30.819 31.823 0.073 0.000 0.648 411 V HN 0.831 nan 8.190 nan 0.000 0.447 412 E N 0.070 120.264 120.200 -0.009 0.000 2.072 412 E HA -0.225 4.124 4.350 -0.003 0.000 0.191 412 E C 2.282 178.864 176.600 -0.029 0.000 0.985 412 E CA 1.202 57.603 56.400 0.001 0.000 0.801 412 E CB -0.030 29.674 29.700 0.007 0.000 0.750 412 E HN 0.556 nan 8.360 nan 0.000 0.452 413 K N 0.115 120.483 120.400 -0.054 0.000 2.097 413 K HA -0.059 4.259 4.320 -0.003 0.000 0.205 413 K C 2.368 178.886 176.600 -0.137 0.000 1.050 413 K CA 1.288 57.535 56.287 -0.068 0.000 0.938 413 K CB -0.018 32.452 32.500 -0.050 0.000 0.718 413 K HN 0.010 nan 8.250 nan 0.000 0.442 414 S N 0.761 116.296 115.700 -0.274 0.000 2.368 414 S HA -0.154 4.314 4.470 -0.003 0.000 0.225 414 S C 2.088 176.361 174.600 -0.546 0.000 1.030 414 S CA 1.479 59.318 58.200 -0.602 0.000 0.999 414 S CB -0.239 62.256 63.200 -1.176 0.000 0.844 414 S HN 0.327 nan 8.310 nan 0.000 0.459 415 S N 1.219 116.762 115.700 -0.263 0.000 2.368 415 S HA -0.086 4.382 4.470 -0.003 0.000 0.225 415 S C 2.020 176.686 174.600 0.110 0.000 1.030 415 S CA 1.573 59.847 58.200 0.123 0.000 0.999 415 S CB -0.412 62.910 63.200 0.203 0.000 0.844 415 S HN 0.459 nan 8.310 nan 0.000 0.459 416 S N 0.547 116.269 115.700 0.036 0.000 2.383 416 S HA -0.041 4.427 4.470 -0.003 0.000 0.227 416 S C 2.094 176.721 174.600 0.044 0.000 1.026 416 S CA 1.162 59.390 58.200 0.046 0.000 0.981 416 S CB -0.562 62.650 63.200 0.020 0.000 0.818 416 S HN 0.621 nan 8.310 nan 0.000 0.472 417 S N 1.547 117.253 115.700 0.009 0.000 2.356 417 S HA -0.114 4.354 4.470 -0.003 0.000 0.223 417 S C 2.166 176.812 174.600 0.078 0.000 1.032 417 S CA 0.919 59.131 58.200 0.021 0.000 1.005 417 S CB -0.305 62.883 63.200 -0.020 0.000 0.867 417 S HN 0.386 nan 8.310 nan 0.000 0.449 418 R N 1.208 121.788 120.500 0.133 0.000 2.091 418 R HA -0.124 4.214 4.340 -0.003 0.000 0.238 418 R C 1.380 177.810 176.300 0.217 0.000 1.136 418 R CA 2.227 58.467 56.100 0.233 0.000 0.959 418 R CB -1.271 29.275 30.300 0.410 0.000 0.856 418 R HN 0.372 nan 8.270 nan 0.000 0.437 419 D N 0.450 120.972 120.400 0.204 0.000 2.144 419 D HA -0.098 4.540 4.640 -0.003 0.000 0.199 419 D C 1.777 178.139 176.300 0.104 0.000 0.984 419 D CA 1.646 55.753 54.000 0.178 0.000 0.834 419 D CB -0.291 40.596 40.800 0.145 0.000 0.955 419 D HN 0.381 nan 8.370 nan 0.000 0.465 420 A N 0.674 123.541 122.820 0.078 0.000 1.902 420 A HA -0.148 4.170 4.320 -0.003 0.000 0.217 420 A C 2.142 179.746 177.584 0.034 0.000 1.181 420 A CA 1.107 53.170 52.037 0.044 0.000 0.623 420 A CB -0.731 18.285 19.000 0.027 0.000 0.818 420 A HN 0.267 nan 8.150 nan 0.000 0.443 421 L N -0.052 121.196 121.223 0.042 0.000 2.017 421 L HA -0.114 4.224 4.340 -0.003 0.000 0.208 421 L C 2.363 179.235 176.870 0.005 0.000 1.073 421 L CA 1.995 56.832 54.840 -0.005 0.000 0.745 421 L CB -0.657 41.396 42.059 -0.010 0.000 0.894 421 L HN 0.141 nan 8.230 nan 0.000 0.432 422 V N -0.037 119.934 119.914 0.095 0.000 2.287 422 V HA -0.329 3.790 4.120 -0.003 0.000 0.248 422 V C 2.638 178.806 176.094 0.122 0.000 1.053 422 V CA 2.267 64.659 62.300 0.154 0.000 1.027 422 V CB -0.648 31.310 31.823 0.225 0.000 0.646 422 V HN 0.487 nan 8.190 nan 0.000 0.447 423 K N 0.045 120.489 120.400 0.073 0.000 2.057 423 K HA -0.135 4.183 4.320 -0.003 0.000 0.207 423 K C 2.300 178.945 176.600 0.075 0.000 1.049 423 K CA 1.469 57.802 56.287 0.076 0.000 0.931 423 K CB -0.432 32.094 32.500 0.044 0.000 0.714 423 K HN 0.481 nan 8.250 nan 0.000 0.440 424 A N 1.494 124.322 122.820 0.015 0.000 1.877 424 A HA -0.145 4.173 4.320 -0.003 0.000 0.216 424 A C 2.162 179.694 177.584 -0.085 0.000 1.186 424 A CA 1.271 53.272 52.037 -0.059 0.000 0.620 424 A CB -0.667 18.270 19.000 -0.105 0.000 0.822 424 A HN 0.147 nan 8.150 nan 0.000 0.443 425 L N -2.378 118.823 121.223 -0.037 0.000 2.012 425 L HA -0.221 4.117 4.340 -0.003 0.000 0.210 425 L C 2.581 179.484 176.870 0.054 0.000 1.073 425 L CA 1.980 56.808 54.840 -0.019 0.000 0.748 425 L CB -0.607 41.468 42.059 0.028 0.000 0.891 425 L HN 0.567 nan 8.230 nan 0.000 0.431 426 Y N 0.397 120.720 120.300 0.038 0.000 2.163 426 Y HA -0.174 4.374 4.550 -0.003 0.000 0.288 426 Y C 2.348 178.261 175.900 0.021 0.000 1.136 426 Y CA 1.651 59.789 58.100 0.064 0.000 1.147 426 Y CB -0.580 37.942 38.460 0.103 0.000 0.987 426 Y HN 0.092 nan 8.280 nan 0.000 0.509 427 G N -0.322 108.546 108.800 0.114 0.000 2.422 427 G HA2 -0.225 3.733 3.960 -0.003 0.000 0.218 427 G HA3 -0.225 3.733 3.960 -0.003 0.000 0.218 427 G C 1.720 176.615 174.900 -0.008 0.000 1.146 427 G CA 0.767 45.896 45.100 0.048 0.000 0.769 427 G HN 0.332 nan 8.290 nan 0.000 0.547 428 R N -0.603 119.850 120.500 -0.078 0.000 2.075 428 R HA 0.037 4.375 4.340 -0.003 0.000 0.232 428 R C 2.445 178.693 176.300 -0.085 0.000 1.126 428 R CA 1.007 57.035 56.100 -0.119 0.000 0.963 428 R CB -0.519 29.627 30.300 -0.257 0.000 0.858 428 R HN 0.365 nan 8.270 nan 0.000 0.435 429 L N 0.390 121.536 121.223 -0.128 0.000 2.012 429 L HA -0.165 4.173 4.340 -0.003 0.000 0.210 429 L C 1.984 178.756 176.870 -0.163 0.000 1.073 429 L CA 1.658 56.407 54.840 -0.152 0.000 0.748 429 L CB -0.644 41.270 42.059 -0.242 0.000 0.891 429 L HN 0.036 nan 8.230 nan 0.000 0.431 430 F N -0.329 119.389 119.950 -0.387 0.000 2.095 430 F HA -0.253 4.272 4.527 -0.003 0.000 0.298 430 F C 2.174 177.814 175.800 -0.266 0.000 1.104 430 F CA 1.915 59.674 58.000 -0.400 0.000 1.232 430 F CB -0.329 38.434 39.000 -0.396 0.000 0.987 430 F HN 0.059 nan 8.300 nan 0.000 0.475 431 L N -1.475 119.700 121.223 -0.080 0.000 2.042 431 L HA -0.258 4.081 4.340 -0.003 0.000 0.210 431 L C 2.337 179.122 176.870 -0.141 0.000 1.076 431 L CA 1.832 56.600 54.840 -0.120 0.000 0.749 431 L CB -0.946 41.096 42.059 -0.027 0.000 0.893 431 L HN 0.441 nan 8.230 nan 0.000 0.432 432 W N 0.819 121.971 121.300 -0.247 0.000 2.355 432 W HA -0.189 4.469 4.660 -0.003 0.000 0.309 432 W C 2.300 178.685 176.519 -0.224 0.000 1.206 432 W CA 1.377 58.598 57.345 -0.206 0.000 1.284 432 W CB -0.238 29.116 29.460 -0.175 0.000 1.145 432 W HN -0.050 nan 8.180 nan 0.000 0.502 433 L N -0.215 120.862 121.223 -0.243 0.000 2.013 433 L HA -0.301 4.037 4.340 -0.003 0.000 0.212 433 L C 2.282 178.889 176.870 -0.437 0.000 1.073 433 L CA 1.599 56.193 54.840 -0.410 0.000 0.753 433 L CB -1.509 40.188 42.059 -0.603 0.000 0.890 433 L HN -0.122 nan 8.230 nan 0.000 0.432 434 V N 0.050 119.641 119.914 -0.540 0.000 2.343 434 V HA -0.311 3.808 4.120 -0.003 0.000 0.247 434 V C 2.579 178.458 176.094 -0.358 0.000 1.051 434 V CA 2.078 64.102 62.300 -0.460 0.000 1.036 434 V CB -0.609 30.912 31.823 -0.504 0.000 0.654 434 V HN 0.472 nan 8.190 nan 0.000 0.451 435 K N -0.066 120.119 120.400 -0.358 0.000 2.097 435 K HA -0.209 4.110 4.320 -0.003 0.000 0.206 435 K C 2.265 178.620 176.600 -0.409 0.000 1.049 435 K CA 1.280 57.373 56.287 -0.324 0.000 0.933 435 K CB -0.052 32.285 32.500 -0.271 0.000 0.717 435 K HN 0.263 nan 8.250 nan 0.000 0.442 436 K N 0.821 120.871 120.400 -0.584 0.000 2.025 436 K HA -0.085 4.233 4.320 -0.003 0.000 0.207 436 K C 2.192 178.461 176.600 -0.552 0.000 1.049 436 K CA 1.230 57.105 56.287 -0.688 0.000 0.933 436 K CB -0.329 31.556 32.500 -1.026 0.000 0.714 436 K HN 0.263 nan 8.250 nan 0.000 0.438 437 I N 1.943 122.262 120.570 -0.419 0.000 2.163 437 I HA -0.334 3.834 4.170 -0.003 0.000 0.243 437 I C 1.932 177.892 176.117 -0.262 0.000 1.085 437 I CA 1.221 62.339 61.300 -0.303 0.000 1.347 437 I CB -0.414 37.470 38.000 -0.193 0.000 1.044 437 I HN 0.151 nan 8.210 nan 0.000 0.408 438 N N 1.103 119.653 118.700 -0.249 0.000 2.166 438 N HA -0.193 4.545 4.740 -0.003 0.000 0.186 438 N C 1.822 177.214 175.510 -0.198 0.000 1.019 438 N CA 1.770 54.698 53.050 -0.203 0.000 0.856 438 N CB -1.136 37.237 38.487 -0.189 0.000 0.993 438 N HN 0.555 nan 8.380 nan 0.000 0.426 439 N N 0.716 119.276 118.700 -0.232 0.000 2.166 439 N HA -0.085 4.653 4.740 -0.003 0.000 0.186 439 N C 2.120 177.509 175.510 -0.201 0.000 1.019 439 N CA 1.631 54.555 53.050 -0.209 0.000 0.856 439 N CB -0.745 37.601 38.487 -0.234 0.000 0.993 439 N HN 0.033 nan 8.380 nan 0.000 0.426 440 V N 0.586 120.358 119.914 -0.237 0.000 2.427 440 V HA -0.057 4.061 4.120 -0.003 0.000 0.248 440 V C 2.173 178.170 176.094 -0.162 0.000 1.051 440 V CA 1.120 63.295 62.300 -0.208 0.000 1.048 440 V CB -0.353 31.321 31.823 -0.247 0.000 0.666 440 V HN 0.622 nan 8.190 nan 0.000 0.456 441 L N -0.340 120.787 121.223 -0.160 0.000 2.591 441 L HA 0.161 4.499 4.340 -0.003 0.000 0.228 441 L C 1.299 178.096 176.870 -0.122 0.000 1.133 441 L CA 0.293 55.052 54.840 -0.134 0.000 0.880 441 L CB -0.587 41.392 42.059 -0.134 0.000 1.033 441 L HN 0.483 nan 8.230 nan 0.000 0.450 442 C N 0.409 119.636 119.300 -0.123 0.000 2.136 442 C HA 0.573 5.031 4.460 -0.003 0.000 0.381 442 C C 1.288 176.223 174.990 -0.093 0.000 1.039 442 C CA -0.388 58.566 59.018 -0.106 0.000 1.491 442 C CB -0.004 nan 27.740 nan 0.000 1.663 442 C HN 0.280 nan 8.230 nan 0.000 0.470 443 Q N 0.511 120.262 119.800 -0.082 0.000 2.280 443 Q HA 0.276 4.614 4.340 -0.003 0.000 0.244 443 Q C 0.083 176.050 176.000 -0.056 0.000 0.847 443 Q CA 0.946 56.706 55.803 -0.072 0.000 0.945 443 Q CB 0.709 29.402 28.738 -0.075 0.000 1.115 443 Q HN 0.813 nan 8.270 nan 0.000 0.513 444 E N 0.000 120.171 120.200 -0.049 0.000 2.352 444 E HA 0.307 4.655 4.350 -0.003 0.000 0.280 444 E C -0.962 175.620 176.600 -0.030 0.000 0.930 444 E CA -0.487 55.892 56.400 -0.034 0.000 0.765 444 E CB 1.649 31.335 29.700 -0.023 0.000 1.219 444 E HN 0.043 nan 8.360 nan 0.000 0.434 445 R N 1.684 122.170 120.500 -0.024 0.000 2.522 445 R HA 0.063 4.401 4.340 -0.003 0.000 0.284 445 R C 0.722 177.016 176.300 -0.009 0.000 1.032 445 R CA 0.174 56.262 56.100 -0.020 0.000 1.049 445 R CB 0.528 30.816 30.300 -0.020 0.000 0.956 445 R HN 0.375 nan 8.270 nan 0.000 0.422 446 K N 1.588 121.990 120.400 0.004 0.000 2.202 446 K HA 0.257 4.575 4.320 -0.003 0.000 0.264 446 K C 0.236 176.827 176.600 -0.014 0.000 1.010 446 K CA -0.163 56.145 56.287 0.035 0.000 0.940 446 K CB 1.315 33.873 32.500 0.096 0.000 0.983 446 K HN 0.529 nan 8.250 nan 0.000 0.475 447 A N 2.110 124.898 122.820 -0.054 0.000 1.887 447 A HA 0.139 4.457 4.320 -0.003 0.000 0.212 447 A C -0.197 177.054 177.584 -0.554 0.000 1.198 447 A CA 0.620 52.453 52.037 -0.339 0.000 0.628 447 A CB -0.247 18.504 19.000 -0.414 0.000 0.847 447 A HN 0.696 nan 8.150 nan 0.000 0.449 448 Y N -2.070 118.352 120.300 0.202 0.000 2.609 448 Y HA 0.574 5.122 4.550 -0.003 0.000 0.342 448 Y C -0.623 175.507 175.900 0.383 0.000 1.058 448 Y CA -1.786 56.430 58.100 0.193 0.000 1.055 448 Y CB 1.420 39.931 38.460 0.086 0.000 1.292 448 Y HN 0.332 nan 8.280 nan 0.000 0.476 449 F N -0.648 119.552 119.950 0.417 0.000 2.613 449 F HA 0.864 5.389 4.527 -0.003 0.000 0.310 449 F C -1.887 174.115 175.800 0.337 0.000 1.085 449 F CA -1.551 56.672 58.000 0.371 0.000 0.945 449 F CB 1.267 40.379 39.000 0.187 0.000 1.298 449 F HN 0.266 nan 8.300 nan 0.000 0.455 450 I N 2.335 123.205 120.570 0.501 0.000 2.389 450 I HA 0.549 4.718 4.170 -0.003 0.000 0.288 450 I C 0.196 176.503 176.117 0.317 0.000 0.999 450 I CA -0.898 60.584 61.300 0.304 0.000 1.129 450 I CB 1.708 39.904 38.000 0.326 0.000 1.288 450 I HN 0.975 nan 8.210 nan 0.000 0.444 451 G N 5.730 114.691 108.800 0.268 0.000 2.332 451 G HA2 0.577 4.536 3.960 -0.003 0.000 0.310 451 G HA3 0.577 4.536 3.960 -0.003 0.000 0.310 451 G C -0.779 173.962 174.900 -0.266 0.000 1.123 451 G CA -0.295 44.654 45.100 -0.251 0.000 0.873 451 G HN 0.339 nan 8.290 nan 0.000 0.460 452 V N 3.274 122.945 119.914 -0.405 0.000 2.409 452 V HA 0.368 4.486 4.120 -0.003 0.000 0.291 452 V C -0.369 175.701 176.094 -0.042 0.000 1.020 452 V CA -0.836 61.398 62.300 -0.111 0.000 0.848 452 V CB 1.360 33.152 31.823 -0.051 0.000 0.990 452 V HN 0.662 nan 8.190 nan 0.000 0.430 453 L N 4.159 125.486 121.223 0.172 0.000 2.272 453 L HA 0.689 5.027 4.340 -0.003 0.000 0.289 453 L C -0.500 176.468 176.870 0.163 0.000 1.032 453 L CA 0.383 55.404 54.840 0.303 0.000 0.810 453 L CB 1.260 43.514 42.059 0.326 0.000 1.205 453 L HN 0.717 nan 8.230 nan 0.000 0.422 454 D N 5.417 125.905 120.400 0.147 0.000 2.400 454 D HA 0.246 4.884 4.640 -0.003 0.000 0.272 454 D C -0.182 176.154 176.300 0.060 0.000 1.220 454 D CA -0.378 53.667 54.000 0.076 0.000 0.897 454 D CB 0.288 41.109 40.800 0.035 0.000 1.134 454 D HN 0.501 nan 8.370 nan 0.000 0.507 455 I N -1.068 119.545 120.570 0.072 0.000 3.079 455 I HA 0.449 4.617 4.170 -0.003 0.000 0.295 455 I C 0.239 176.366 176.117 0.016 0.000 1.094 455 I CA -0.635 60.699 61.300 0.056 0.000 1.295 455 I CB 0.931 38.954 38.000 0.038 0.000 1.443 455 I HN -0.042 nan 8.210 nan 0.000 0.607 456 S N 2.215 117.924 115.700 0.015 0.000 2.531 456 S HA 0.375 4.843 4.470 -0.003 0.000 0.279 456 S C 0.366 174.990 174.600 0.039 0.000 1.305 456 S CA -0.339 57.871 58.200 0.017 0.000 1.058 456 S CB 0.709 63.926 63.200 0.029 0.000 0.899 456 S HN 0.909 nan 8.310 nan 0.000 0.493 457 G N 1.320 110.151 108.800 0.051 0.000 2.537 457 G HA2 0.471 4.430 3.960 -0.003 0.000 0.273 457 G HA3 0.471 4.430 3.960 -0.003 0.000 0.273 457 G C -0.446 174.506 174.900 0.086 0.000 1.189 457 G CA -0.796 44.359 45.100 0.092 0.000 0.881 457 G HN 0.606 nan 8.290 nan 0.000 0.535 458 F N 1.092 121.048 119.950 0.011 0.000 2.623 458 F HA 0.198 4.723 4.527 -0.003 0.000 0.386 458 F C 0.944 176.682 175.800 -0.104 0.000 1.068 458 F CA 0.613 58.593 58.000 -0.033 0.000 1.265 458 F CB 0.458 39.443 39.000 -0.026 0.000 1.026 458 F HN 0.592 nan 8.300 nan 0.000 0.568 459 E N 6.254 126.035 120.200 -0.699 0.000 2.343 459 E HA 0.625 4.973 4.350 -0.003 0.000 0.278 459 E C -1.716 174.418 176.600 -0.777 0.000 0.910 459 E CA -0.941 55.101 56.400 -0.597 0.000 0.757 459 E CB 1.973 31.357 29.700 -0.527 0.000 1.218 459 E HN 0.553 nan 8.360 nan 0.000 0.435 460 I N 2.523 122.665 120.570 -0.714 0.000 2.534 460 I HA 0.456 4.624 4.170 -0.003 0.000 0.288 460 I C -1.249 174.499 176.117 -0.615 0.000 1.077 460 I CA -0.812 60.158 61.300 -0.549 0.000 1.051 460 I CB 0.994 38.844 38.000 -0.250 0.000 1.234 460 I HN 0.469 nan 8.210 nan 0.000 0.425 461 F N 3.445 123.352 119.950 -0.072 0.000 2.639 461 F HA 0.488 5.013 4.527 -0.003 0.000 0.339 461 F C 1.455 177.232 175.800 -0.039 0.000 1.071 461 F CA -1.035 56.942 58.000 -0.038 0.000 0.994 461 F CB 0.958 39.950 39.000 -0.013 0.000 1.341 461 F HN 0.289 nan 8.300 nan 0.000 0.498 462 K N -0.145 120.377 120.400 0.203 0.000 2.113 462 K HA -0.024 4.294 4.320 -0.003 0.000 0.208 462 K C -0.290 176.366 176.600 0.093 0.000 1.047 462 K CA 1.220 57.565 56.287 0.097 0.000 0.928 462 K CB -0.100 32.444 32.500 0.074 0.000 0.716 462 K HN 0.192 nan 8.250 nan 0.000 0.446 463 V N 2.482 122.484 119.914 0.147 0.000 2.443 463 V HA 0.177 4.295 4.120 -0.003 0.000 0.293 463 V C -0.996 175.213 176.094 0.192 0.000 1.021 463 V CA -1.060 61.320 62.300 0.133 0.000 0.848 463 V CB 1.544 33.440 31.823 0.123 0.000 0.998 463 V HN 0.176 nan 8.190 nan 0.000 0.424 464 N N 2.700 121.487 118.700 0.145 0.000 2.392 464 N HA 0.551 5.289 4.740 -0.003 0.000 0.283 464 N C -0.309 175.421 175.510 0.367 0.000 1.003 464 N CA -0.157 53.012 53.050 0.198 0.000 0.892 464 N CB 2.338 40.789 38.487 -0.059 0.000 1.193 464 N HN 0.611 nan 8.380 nan 0.000 0.487 465 S N 0.515 116.462 115.700 0.413 0.000 2.795 465 S HA 0.364 4.832 4.470 -0.003 0.000 0.308 465 S C 0.938 175.737 174.600 0.332 0.000 1.098 465 S CA -0.569 57.945 58.200 0.524 0.000 0.934 465 S CB 0.367 63.768 63.200 0.335 0.000 1.300 465 S HN 0.432 nan 8.310 nan 0.000 0.566 466 F N 2.043 121.766 119.950 -0.378 0.000 2.120 466 F HA -0.088 4.437 4.527 -0.003 0.000 0.300 466 F C 1.854 177.369 175.800 -0.474 0.000 1.095 466 F CA 2.499 59.853 58.000 -1.078 0.000 1.249 466 F CB -0.584 37.596 39.000 -1.367 0.000 0.995 466 F HN 0.652 nan 8.300 nan 0.000 0.480 467 E N 0.017 120.021 120.200 -0.326 0.000 2.077 467 E HA -0.243 4.105 4.350 -0.003 0.000 0.193 467 E C 2.072 178.541 176.600 -0.218 0.000 0.989 467 E CA 1.604 57.824 56.400 -0.301 0.000 0.800 467 E CB -0.362 29.300 29.700 -0.063 0.000 0.746 467 E HN 0.431 nan 8.360 nan 0.000 0.452 468 Q N 0.017 119.794 119.800 -0.038 0.000 2.124 468 Q HA -0.088 4.250 4.340 -0.003 0.000 0.202 468 Q C 2.067 178.070 176.000 0.006 0.000 0.977 468 Q CA 0.754 56.586 55.803 0.047 0.000 0.850 468 Q CB -0.282 28.573 28.738 0.195 0.000 0.901 468 Q HN 0.237 nan 8.270 nan 0.000 0.429 469 L N -0.443 120.696 121.223 -0.139 0.000 2.046 469 L HA -0.165 4.173 4.340 -0.003 0.000 0.208 469 L C 1.828 178.500 176.870 -0.330 0.000 1.077 469 L CA 1.714 56.339 54.840 -0.360 0.000 0.747 469 L CB -0.664 41.048 42.059 -0.579 0.000 0.896 469 L HN 0.277 nan 8.230 nan 0.000 0.432 470 C N -0.533 118.429 119.300 -0.564 0.000 2.446 470 C HA -0.094 4.364 4.460 -0.003 0.000 0.277 470 C C 2.706 177.520 174.990 -0.294 0.000 1.275 470 C CA 0.751 59.354 59.018 -0.692 0.000 1.727 470 C CB -0.890 26.243 27.740 -1.011 0.000 2.010 470 C HN 0.583 nan 8.230 nan 0.000 0.486 471 I N 1.548 122.003 120.570 -0.193 0.000 2.179 471 I HA -0.201 3.967 4.170 -0.003 0.000 0.242 471 I C 2.147 178.227 176.117 -0.062 0.000 1.088 471 I CA 1.490 62.742 61.300 -0.080 0.000 1.357 471 I CB -0.505 37.445 38.000 -0.083 0.000 1.051 471 I HN 0.386 nan 8.210 nan 0.000 0.409 472 N N -0.094 118.523 118.700 -0.138 0.000 2.270 472 N HA -0.205 4.533 4.740 -0.003 0.000 0.181 472 N C 1.748 177.281 175.510 0.039 0.000 1.016 472 N CA 0.981 53.921 53.050 -0.183 0.000 0.870 472 N CB -0.414 37.745 38.487 -0.548 0.000 0.979 472 N HN 0.359 nan 8.380 nan 0.000 0.431 473 Y N 2.179 122.434 120.300 -0.075 0.000 2.200 473 Y HA -0.109 4.440 4.550 -0.003 0.000 0.290 473 Y C 2.090 178.054 175.900 0.108 0.000 1.137 473 Y CA 1.277 59.406 58.100 0.049 0.000 1.163 473 Y CB -0.773 37.684 38.460 -0.005 0.000 0.988 473 Y HN -0.031 nan 8.280 nan 0.000 0.518 474 T N 1.092 115.643 114.554 -0.006 0.000 2.746 474 T HA -0.190 4.159 4.350 -0.003 0.000 0.267 474 T C 1.785 176.457 174.700 -0.045 0.000 1.039 474 T CA 1.601 63.642 62.100 -0.098 0.000 1.142 474 T CB -0.310 68.550 68.868 -0.012 0.000 0.866 474 T HN 0.473 nan 8.240 nan 0.000 0.444 475 N N 0.676 119.423 118.700 0.080 0.000 2.120 475 N HA -0.130 4.608 4.740 -0.003 0.000 0.188 475 N C 2.040 177.566 175.510 0.027 0.000 1.024 475 N CA 1.162 54.303 53.050 0.151 0.000 0.852 475 N CB -0.167 38.560 38.487 0.401 0.000 1.003 475 N HN 0.448 nan 8.380 nan 0.000 0.424 476 E N 1.461 121.749 120.200 0.146 0.000 2.110 476 E HA -0.121 4.227 4.350 -0.003 0.000 0.193 476 E C 1.759 178.343 176.600 -0.027 0.000 0.988 476 E CA 1.165 57.592 56.400 0.046 0.000 0.804 476 E CB 0.196 30.137 29.700 0.401 0.000 0.745 476 E HN 0.061 nan 8.360 nan 0.000 0.458 477 K N -0.000 120.384 120.400 -0.025 0.000 2.057 477 K HA -0.107 4.211 4.320 -0.003 0.000 0.206 477 K C 2.124 178.725 176.600 0.001 0.000 1.050 477 K CA 0.685 56.944 56.287 -0.046 0.000 0.935 477 K CB -0.505 31.861 32.500 -0.224 0.000 0.715 477 K HN 0.212 nan 8.250 nan 0.000 0.439 478 L N 1.806 123.009 121.223 -0.035 0.000 2.046 478 L HA -0.204 4.134 4.340 -0.003 0.000 0.208 478 L C 2.492 179.410 176.870 0.080 0.000 1.077 478 L CA 1.818 56.681 54.840 0.038 0.000 0.747 478 L CB -0.590 41.474 42.059 0.008 0.000 0.896 478 L HN 0.131 nan 8.230 nan 0.000 0.432 479 Q N -0.660 119.064 119.800 -0.126 0.000 2.079 479 Q HA -0.268 4.070 4.340 -0.003 0.000 0.200 479 Q C 2.290 178.307 176.000 0.029 0.000 0.974 479 Q CA 2.029 57.717 55.803 -0.191 0.000 0.840 479 Q CB -0.353 27.974 28.738 -0.685 0.000 0.898 479 Q HN 0.606 nan 8.270 nan 0.000 0.430 480 Q N -0.856 118.972 119.800 0.046 0.000 2.124 480 Q HA -0.143 4.196 4.340 -0.003 0.000 0.202 480 Q C 1.673 177.799 176.000 0.211 0.000 0.977 480 Q CA 1.761 57.644 55.803 0.134 0.000 0.850 480 Q CB -0.557 28.260 28.738 0.131 0.000 0.901 480 Q HN 0.513 nan 8.270 nan 0.000 0.429 481 F N -0.385 119.634 119.950 0.115 0.000 2.095 481 F HA -0.199 4.326 4.527 -0.003 0.000 0.298 481 F C 1.780 177.726 175.800 0.244 0.000 1.104 481 F CA 1.596 59.721 58.000 0.209 0.000 1.232 481 F CB -0.528 38.590 39.000 0.198 0.000 0.987 481 F HN 0.264 nan 8.300 nan 0.000 0.475 482 F N 1.525 121.500 119.950 0.042 0.000 2.065 482 F HA -0.317 4.208 4.527 -0.003 0.000 0.298 482 F C 2.223 177.757 175.800 -0.444 0.000 1.112 482 F CA 2.247 59.912 58.000 -0.559 0.000 1.212 482 F CB -0.845 37.741 39.000 -0.691 0.000 0.975 482 F HN -0.060 nan 8.300 nan 0.000 0.476 483 N N -0.435 118.209 118.700 -0.093 0.000 2.104 483 N HA -0.244 4.494 4.740 -0.003 0.000 0.190 483 N C 2.095 177.527 175.510 -0.130 0.000 1.024 483 N CA 1.623 54.677 53.050 0.006 0.000 0.853 483 N CB -1.105 37.535 38.487 0.256 0.000 1.008 483 N HN 0.516 nan 8.380 nan 0.000 0.424 484 H N 0.343 119.305 119.070 -0.180 0.000 2.319 484 H HA -0.101 4.453 4.556 -0.003 0.000 0.299 484 H C 1.593 176.661 175.328 -0.434 0.000 1.092 484 H CA 1.536 57.442 56.048 -0.237 0.000 1.302 484 H CB 0.044 29.671 29.762 -0.224 0.000 1.373 484 H HN 0.388 nan 8.280 nan 0.000 0.497 485 H N -0.829 117.933 119.070 -0.513 0.000 2.395 485 H HA -0.063 4.491 4.556 -0.003 0.000 0.299 485 H C 2.345 177.282 175.328 -0.651 0.000 1.070 485 H CA 0.964 56.693 56.048 -0.532 0.000 1.356 485 H CB 0.457 29.985 29.762 -0.390 0.000 1.401 485 H HN 0.353 nan 8.280 nan 0.000 0.524 486 M N -0.502 118.541 119.600 -0.929 0.000 2.287 486 M HA -0.039 4.439 4.480 -0.003 0.000 0.266 486 M C 1.375 177.023 176.300 -1.087 0.000 1.079 486 M CA 1.185 55.726 55.300 -1.265 0.000 1.146 486 M CB -0.441 30.790 32.600 -2.282 0.000 1.374 486 M HN 0.144 nan 8.290 nan 0.000 0.435 487 F N -1.120 118.554 119.950 -0.460 0.000 2.537 487 F HA 0.097 4.622 4.527 -0.003 0.000 0.275 487 F C 2.519 178.190 175.800 -0.216 0.000 0.947 487 F CA 0.436 58.232 58.000 -0.340 0.000 1.238 487 F CB -1.197 37.628 39.000 -0.291 0.000 1.071 487 F HN -0.098 nan 8.300 nan 0.000 0.749 488 K N 1.094 121.438 120.400 -0.094 0.000 1.991 488 K HA 0.048 4.367 4.320 -0.003 0.000 0.207 488 K C 2.092 178.522 176.600 -0.284 0.000 1.045 488 K CA 1.222 57.446 56.287 -0.106 0.000 0.937 488 K CB -1.021 31.394 32.500 -0.141 0.000 0.720 488 K HN 0.356 nan 8.250 nan 0.000 0.438 489 L N 0.876 121.756 121.223 -0.570 0.000 2.079 489 L HA -0.122 4.216 4.340 -0.003 0.000 0.210 489 L C 2.942 179.575 176.870 -0.395 0.000 1.081 489 L CA 2.052 56.592 54.840 -0.499 0.000 0.752 489 L CB -0.554 41.119 42.059 -0.644 0.000 0.896 489 L HN 0.415 nan 8.230 nan 0.000 0.433 490 E N 0.367 120.301 120.200 -0.444 0.000 2.031 490 E HA -0.249 4.099 4.350 -0.003 0.000 0.193 490 E C 2.203 178.261 176.600 -0.904 0.000 0.994 490 E CA 1.616 57.663 56.400 -0.589 0.000 0.800 490 E CB -0.047 29.340 29.700 -0.522 0.000 0.752 490 E HN 0.432 nan 8.360 nan 0.000 0.447 491 Q N -0.207 119.262 119.800 -0.552 0.000 2.172 491 Q HA -0.104 4.234 4.340 -0.003 0.000 0.200 491 Q C 2.176 178.104 176.000 -0.120 0.000 0.964 491 Q CA 1.118 56.698 55.803 -0.372 0.000 0.855 491 Q CB -0.058 28.820 28.738 0.233 0.000 0.918 491 Q HN 0.415 nan 8.270 nan 0.000 0.444 492 E N 0.862 121.010 120.200 -0.087 0.000 2.130 492 E HA -0.258 4.090 4.350 -0.003 0.000 0.196 492 E C 1.856 178.426 176.600 -0.050 0.000 0.998 492 E CA 1.305 57.679 56.400 -0.043 0.000 0.806 492 E CB 0.069 29.726 29.700 -0.072 0.000 0.738 492 E HN 0.253 nan 8.360 nan 0.000 0.459 493 E N 0.220 120.347 120.200 -0.122 0.000 2.015 493 E HA -0.206 4.143 4.350 -0.003 0.000 0.191 493 E C 1.739 178.394 176.600 0.092 0.000 0.991 493 E CA 1.257 57.652 56.400 -0.008 0.000 0.802 493 E CB -0.314 29.379 29.700 -0.011 0.000 0.759 493 E HN 0.240 nan 8.360 nan 0.000 0.447 494 Y N 0.609 120.829 120.300 -0.133 0.000 2.102 494 Y HA -0.227 4.322 4.550 -0.003 0.000 0.280 494 Y C 2.345 178.133 175.900 -0.185 0.000 1.178 494 Y CA 1.257 59.147 58.100 -0.350 0.000 1.146 494 Y CB -1.000 37.123 38.460 -0.562 0.000 0.968 494 Y HN 0.126 nan 8.280 nan 0.000 0.504 495 L N -0.611 120.690 121.223 0.130 0.000 2.179 495 L HA -0.111 4.227 4.340 -0.003 0.000 0.208 495 L C 2.639 179.558 176.870 0.082 0.000 1.096 495 L CA 1.361 56.285 54.840 0.141 0.000 0.779 495 L CB -0.782 41.384 42.059 0.178 0.000 0.922 495 L HN 0.181 nan 8.230 nan 0.000 0.443 496 K N -0.211 120.228 120.400 0.066 0.000 2.155 496 K HA -0.086 4.232 4.320 -0.003 0.000 0.203 496 K C 1.718 178.359 176.600 0.068 0.000 1.052 496 K CA 1.090 57.413 56.287 0.060 0.000 0.948 496 K CB -0.296 32.236 32.500 0.054 0.000 0.728 496 K HN 0.253 nan 8.250 nan 0.000 0.448 497 E N 0.104 120.346 120.200 0.070 0.000 2.437 497 E HA 0.011 4.359 4.350 -0.003 0.000 0.189 497 E C -0.534 176.065 176.600 -0.001 0.000 1.054 497 E CA -0.072 56.372 56.400 0.074 0.000 0.874 497 E CB 0.202 30.001 29.700 0.165 0.000 1.011 497 E HN 0.290 nan 8.360 nan 0.000 0.474 498 K N 0.077 120.479 120.400 0.004 0.000 3.777 498 K HA -0.161 4.158 4.320 -0.003 0.000 0.276 498 K C 0.572 177.137 176.600 -0.058 0.000 0.877 498 K CA 0.623 56.912 56.287 0.003 0.000 0.724 498 K CB -2.647 29.873 32.500 0.033 0.000 1.589 498 K HN 0.186 nan 8.250 nan 0.000 0.444 499 I N 1.067 121.535 120.570 -0.170 0.000 3.858 499 I HA 0.157 4.326 4.170 -0.003 0.000 0.325 499 I C 1.023 177.036 176.117 -0.172 0.000 1.403 499 I CA 0.464 61.577 61.300 -0.312 0.000 1.169 499 I CB -1.724 35.787 38.000 -0.815 0.000 1.077 499 I HN 0.893 nan 8.210 nan 0.000 0.403 500 N N -0.548 118.139 118.700 -0.021 0.000 2.780 500 N HA -0.215 4.523 4.740 -0.003 0.000 0.248 500 N C -0.213 175.377 175.510 0.133 0.000 1.102 500 N CA 0.563 53.639 53.050 0.042 0.000 0.697 500 N CB -1.027 37.469 38.487 0.015 0.000 1.028 500 N HN 0.741 nan 8.380 nan 0.000 0.554 501 W N 1.667 122.948 121.300 -0.032 0.000 2.390 501 W HA 0.340 4.998 4.660 -0.003 0.000 0.312 501 W C -0.406 176.169 176.519 0.092 0.000 1.123 501 W CA -0.117 57.255 57.345 0.045 0.000 1.202 501 W CB 1.169 30.684 29.460 0.092 0.000 1.251 501 W HN -0.125 nan 8.180 nan 0.000 0.511 502 T N 7.341 121.620 114.554 -0.460 0.000 2.771 502 T HA 0.115 4.463 4.350 -0.003 0.000 0.291 502 T C -0.336 174.050 174.700 -0.524 0.000 0.954 502 T CA -0.290 61.599 62.100 -0.352 0.000 1.045 502 T CB 0.337 69.021 68.868 -0.307 0.000 0.917 502 T HN 0.267 nan 8.240 nan 0.000 0.484 503 F N 4.859 124.717 119.950 -0.153 0.000 2.572 503 F HA 0.357 4.882 4.527 -0.003 0.000 0.370 503 F C -0.278 175.472 175.800 -0.084 0.000 1.103 503 F CA -0.443 57.591 58.000 0.057 0.000 1.286 503 F CB 0.145 39.217 39.000 0.121 0.000 1.105 503 F HN 0.427 nan 8.300 nan 0.000 0.583 504 I N 5.497 125.520 120.570 -0.911 0.000 2.404 504 I HA 0.165 4.333 4.170 -0.003 0.000 0.293 504 I C -0.795 174.596 176.117 -1.210 0.000 0.992 504 I CA -0.865 59.891 61.300 -0.907 0.000 1.149 504 I CB 1.541 38.994 38.000 -0.912 0.000 1.315 504 I HN 0.467 nan 8.210 nan 0.000 0.446 505 D N 5.668 125.658 120.400 -0.684 0.000 2.411 505 D HA 0.176 4.814 4.640 -0.003 0.000 0.225 505 D C 0.367 176.436 176.300 -0.385 0.000 1.156 505 D CA -0.085 53.728 54.000 -0.312 0.000 0.874 505 D CB 0.517 41.307 40.800 -0.017 0.000 1.034 505 D HN 0.273 nan 8.370 nan 0.000 0.502 506 F N 1.634 121.416 119.950 -0.281 0.000 2.748 506 F HA 0.171 4.696 4.527 -0.003 0.000 0.299 506 F C 2.244 177.896 175.800 -0.247 0.000 1.154 506 F CA 0.594 58.381 58.000 -0.355 0.000 1.446 506 F CB 0.084 38.629 39.000 -0.757 0.000 1.112 506 F HN 0.632 nan 8.300 nan 0.000 0.584 507 G N 1.034 109.825 108.800 -0.014 0.000 2.160 507 G HA2 -0.307 3.652 3.960 -0.003 0.000 0.251 507 G HA3 -0.307 3.652 3.960 -0.003 0.000 0.251 507 G C -0.074 174.845 174.900 0.033 0.000 1.008 507 G CA -0.003 45.105 45.100 0.013 0.000 0.724 507 G HN 0.316 nan 8.290 nan 0.000 0.514 508 L N 0.687 121.926 121.223 0.027 0.000 2.345 508 L HA 0.636 4.974 4.340 -0.003 0.000 0.274 508 L C -0.836 176.099 176.870 0.109 0.000 0.999 508 L CA -0.774 54.105 54.840 0.066 0.000 0.849 508 L CB 1.838 43.928 42.059 0.052 0.000 1.220 508 L HN 0.095 nan 8.230 nan 0.000 0.422 509 D N 0.916 121.388 120.400 0.120 0.000 2.613 509 D HA 0.162 4.800 4.640 -0.003 0.000 0.230 509 D C 0.017 176.398 176.300 0.135 0.000 1.365 509 D CA -0.252 53.829 54.000 0.134 0.000 0.976 509 D CB 2.092 42.970 40.800 0.130 0.000 1.415 509 D HN 0.185 nan 8.370 nan 0.000 0.589 510 S N 2.213 118.000 115.700 0.145 0.000 2.650 510 S HA -0.078 4.391 4.470 -0.003 0.000 0.219 510 S C 1.478 176.173 174.600 0.158 0.000 0.960 510 S CA 0.074 58.371 58.200 0.162 0.000 0.925 510 S CB 0.306 63.597 63.200 0.152 0.000 0.775 510 S HN 0.427 nan 8.310 nan 0.000 0.525 511 Q N 2.380 122.262 119.800 0.137 0.000 2.084 511 Q HA 0.028 4.366 4.340 -0.003 0.000 0.202 511 Q C 2.074 178.140 176.000 0.110 0.000 0.978 511 Q CA 1.792 57.670 55.803 0.125 0.000 0.844 511 Q CB -0.573 28.230 28.738 0.109 0.000 0.898 511 Q HN 0.515 nan 8.270 nan 0.000 0.426 512 A N -0.933 121.948 122.820 0.101 0.000 1.902 512 A HA -0.184 4.135 4.320 -0.003 0.000 0.217 512 A C 2.296 179.924 177.584 0.075 0.000 1.181 512 A CA 2.025 54.111 52.037 0.081 0.000 0.623 512 A CB -1.023 18.024 19.000 0.078 0.000 0.818 512 A HN 0.469 nan 8.150 nan 0.000 0.443 513 T N 0.185 114.803 114.554 0.107 0.000 2.821 513 T HA -0.046 4.302 4.350 -0.003 0.000 0.267 513 T C 1.781 176.547 174.700 0.108 0.000 1.046 513 T CA 1.404 63.573 62.100 0.115 0.000 1.139 513 T CB -0.382 68.601 68.868 0.193 0.000 0.871 513 T HN 0.418 nan 8.240 nan 0.000 0.454 514 I N 1.273 121.937 120.570 0.156 0.000 2.226 514 I HA -0.180 3.989 4.170 -0.003 0.000 0.245 514 I C 2.249 178.396 176.117 0.049 0.000 1.100 514 I CA 1.213 62.615 61.300 0.170 0.000 1.374 514 I CB -0.309 37.849 38.000 0.264 0.000 1.057 514 I HN 0.117 nan 8.210 nan 0.000 0.413 515 D N 0.545 120.976 120.400 0.052 0.000 2.144 515 D HA -0.154 4.485 4.640 -0.003 0.000 0.200 515 D C 1.984 178.259 176.300 -0.042 0.000 0.978 515 D CA 0.944 54.959 54.000 0.026 0.000 0.833 515 D CB -0.316 40.512 40.800 0.047 0.000 0.961 515 D HN 0.160 nan 8.370 nan 0.000 0.470 516 L N 0.637 121.805 121.223 -0.092 0.000 2.042 516 L HA -0.125 4.213 4.340 -0.003 0.000 0.210 516 L C 1.966 178.652 176.870 -0.307 0.000 1.076 516 L CA 1.550 56.229 54.840 -0.269 0.000 0.749 516 L CB -0.420 41.496 42.059 -0.238 0.000 0.893 516 L HN 0.009 nan 8.230 nan 0.000 0.432 517 I N -1.009 119.427 120.570 -0.224 0.000 2.333 517 I HA -0.095 4.073 4.170 -0.003 0.000 0.246 517 I C 1.040 177.002 176.117 -0.257 0.000 1.106 517 I CA 1.382 62.512 61.300 -0.284 0.000 1.411 517 I CB -0.043 37.662 38.000 -0.492 0.000 1.082 517 I HN 0.284 nan 8.210 nan 0.000 0.420 518 D N 0.302 120.578 120.400 -0.206 0.000 2.620 518 D HA 0.162 4.800 4.640 -0.003 0.000 0.260 518 D C 0.503 176.816 176.300 0.022 0.000 1.367 518 D CA -0.083 53.871 54.000 -0.076 0.000 0.805 518 D CB 0.290 41.068 40.800 -0.037 0.000 1.096 518 D HN 0.104 nan 8.370 nan 0.000 0.488 519 G N -0.525 108.285 108.800 0.016 0.000 2.594 519 G HA2 0.419 4.377 3.960 -0.003 0.000 0.243 519 G HA3 0.419 4.377 3.960 -0.003 0.000 0.243 519 G C 0.942 175.879 174.900 0.062 0.000 1.229 519 G CA 0.287 45.418 45.100 0.052 0.000 0.843 519 G HN 0.305 nan 8.290 nan 0.000 0.578 520 R N -0.307 120.230 120.500 0.061 0.000 2.140 520 R HA 0.399 4.738 4.340 -0.003 0.000 0.200 520 R C 1.120 177.452 176.300 0.053 0.000 1.069 520 R CA 1.398 57.531 56.100 0.054 0.000 1.088 520 R CB -0.381 29.948 30.300 0.049 0.000 1.012 520 R HN 0.625 nan 8.270 nan 0.000 0.500 521 Q N 1.180 121.013 119.800 0.054 0.000 2.275 521 Q HA 0.456 4.794 4.340 -0.003 0.000 0.266 521 Q C -2.636 173.400 176.000 0.060 0.000 1.002 521 Q CA -2.134 53.701 55.803 0.053 0.000 0.761 521 Q CB 2.120 30.880 28.738 0.038 0.000 1.255 521 Q HN 0.443 nan 8.270 nan 0.000 0.446 522 P HA 0.288 nan 4.420 nan 0.000 0.272 522 P C -2.620 174.752 177.300 0.120 0.000 1.223 522 P CA -1.144 62.013 63.100 0.096 0.000 0.784 522 P CB -0.080 31.689 31.700 0.114 0.000 0.923 523 P HA 0.053 nan 4.420 nan 0.000 0.265 523 P C 0.469 177.881 177.300 0.187 0.000 1.193 523 P CA 0.343 63.494 63.100 0.084 0.000 0.765 523 P CB 0.436 32.134 31.700 -0.003 0.000 0.823 524 G N 2.011 110.896 108.800 0.142 0.000 2.525 524 G HA2 0.251 4.209 3.960 -0.003 0.000 0.287 524 G HA3 0.251 4.209 3.960 -0.003 0.000 0.287 524 G C 1.211 176.198 174.900 0.144 0.000 1.350 524 G CA -0.841 44.338 45.100 0.131 0.000 1.039 524 G HN 0.382 nan 8.290 nan 0.000 0.513 525 I N -0.444 120.128 120.570 0.002 0.000 2.151 525 I HA -0.214 3.954 4.170 -0.003 0.000 0.243 525 I C 2.679 178.843 176.117 0.077 0.000 1.080 525 I CA 1.151 62.475 61.300 0.040 0.000 1.339 525 I CB -0.240 37.736 38.000 -0.040 0.000 1.039 525 I HN 0.304 nan 8.210 nan 0.000 0.409 526 L N 0.262 121.521 121.223 0.061 0.000 2.093 526 L HA -0.169 4.169 4.340 -0.003 0.000 0.208 526 L C 2.844 179.763 176.870 0.083 0.000 1.085 526 L CA 1.182 56.083 54.840 0.102 0.000 0.755 526 L CB -0.733 41.383 42.059 0.096 0.000 0.904 526 L HN 0.251 nan 8.230 nan 0.000 0.435 527 A N 0.275 123.128 122.820 0.056 0.000 1.902 527 A HA -0.144 4.174 4.320 -0.003 0.000 0.217 527 A C 2.234 179.815 177.584 -0.004 0.000 1.181 527 A CA 1.336 53.393 52.037 0.033 0.000 0.623 527 A CB -0.613 18.404 19.000 0.028 0.000 0.818 527 A HN 0.360 nan 8.150 nan 0.000 0.443 528 L N -1.031 120.172 121.223 -0.033 0.000 2.093 528 L HA -0.128 4.210 4.340 -0.003 0.000 0.208 528 L C 2.512 179.361 176.870 -0.035 0.000 1.085 528 L CA 0.893 55.672 54.840 -0.102 0.000 0.755 528 L CB -0.543 41.388 42.059 -0.213 0.000 0.904 528 L HN 0.464 nan 8.230 nan 0.000 0.435 529 L N 0.106 121.348 121.223 0.033 0.000 2.012 529 L HA -0.235 4.103 4.340 -0.003 0.000 0.210 529 L C 2.008 178.906 176.870 0.046 0.000 1.073 529 L CA 1.967 56.850 54.840 0.073 0.000 0.748 529 L CB -0.664 41.485 42.059 0.150 0.000 0.891 529 L HN 0.157 nan 8.230 nan 0.000 0.431 530 D N -0.466 119.961 120.400 0.045 0.000 2.117 530 D HA -0.227 4.411 4.640 -0.003 0.000 0.197 530 D C 2.101 178.423 176.300 0.036 0.000 0.987 530 D CA 1.427 55.453 54.000 0.043 0.000 0.829 530 D CB -0.030 40.801 40.800 0.052 0.000 0.961 530 D HN 0.575 nan 8.370 nan 0.000 0.460 531 E N 0.215 120.424 120.200 0.015 0.000 2.051 531 E HA -0.196 4.152 4.350 -0.003 0.000 0.192 531 E C 1.886 178.510 176.600 0.041 0.000 0.991 531 E CA 0.859 57.261 56.400 0.003 0.000 0.799 531 E CB 0.152 29.821 29.700 -0.051 0.000 0.748 531 E HN 0.200 nan 8.360 nan 0.000 0.449 532 Q N 0.045 119.871 119.800 0.043 0.000 2.226 532 Q HA -0.094 4.244 4.340 -0.003 0.000 0.204 532 Q C 2.253 178.333 176.000 0.133 0.000 0.975 532 Q CA 1.125 56.997 55.803 0.115 0.000 0.866 532 Q CB -0.014 28.769 28.738 0.076 0.000 0.915 532 Q HN 0.185 nan 8.270 nan 0.000 0.440 533 S N 0.521 116.271 115.700 0.083 0.000 2.453 533 S HA -0.064 4.404 4.470 -0.003 0.000 0.231 533 S C 1.821 176.464 174.600 0.072 0.000 1.005 533 S CA 0.979 59.217 58.200 0.063 0.000 0.949 533 S CB 0.099 63.320 63.200 0.035 0.000 0.774 533 S HN 0.411 nan 8.310 nan 0.000 0.510 534 V N -1.472 118.498 119.914 0.093 0.000 3.444 534 V HA 0.455 4.573 4.120 -0.003 0.000 0.308 534 V C -0.032 176.152 176.094 0.151 0.000 1.371 534 V CA -0.474 61.881 62.300 0.092 0.000 1.141 534 V CB -0.831 31.035 31.823 0.072 0.000 1.037 534 V HN 0.280 nan 8.190 nan 0.000 0.433 535 F N 2.989 122.937 119.950 -0.004 0.000 2.371 535 F HA 0.643 5.168 4.527 -0.003 0.000 0.363 535 F C -1.554 174.244 175.800 -0.004 0.000 1.122 535 F CA -3.212 54.784 58.000 -0.006 0.000 1.129 535 F CB 1.751 40.744 39.000 -0.011 0.000 1.173 535 F HN -0.013 nan 8.300 nan 0.000 0.489 536 P HA -0.168 nan 4.420 nan 0.000 0.216 536 P C 0.566 177.597 177.300 -0.448 0.000 1.150 536 P CA 1.417 64.334 63.100 -0.305 0.000 0.843 536 P CB 0.275 31.846 31.700 -0.216 0.000 0.787 537 N N -1.027 117.146 118.700 -0.879 0.000 2.322 537 N HA 0.129 4.867 4.740 -0.003 0.000 0.194 537 N C 0.468 175.729 175.510 -0.414 0.000 1.126 537 N CA 0.041 52.719 53.050 -0.619 0.000 0.845 537 N CB -0.277 37.828 38.487 -0.637 0.000 0.976 537 N HN 0.077 nan 8.380 nan 0.000 0.475 538 A N 0.744 123.358 122.820 -0.343 0.000 2.407 538 A HA 0.449 4.767 4.320 -0.003 0.000 0.248 538 A C 0.895 178.469 177.584 -0.018 0.000 1.082 538 A CA -0.040 51.989 52.037 -0.015 0.000 0.785 538 A CB 0.192 19.275 19.000 0.138 0.000 1.020 538 A HN 0.276 nan 8.150 nan 0.000 0.489 539 T N -1.642 112.922 114.554 0.017 0.000 2.864 539 T HA 0.453 4.801 4.350 -0.003 0.000 0.289 539 T C 0.105 174.814 174.700 0.015 0.000 1.082 539 T CA -0.403 61.702 62.100 0.008 0.000 1.009 539 T CB 1.146 70.013 68.868 -0.002 0.000 1.234 539 T HN 0.403 nan 8.240 nan 0.000 0.526 540 D N 0.272 120.678 120.400 0.010 0.000 2.178 540 D HA -0.099 4.540 4.640 -0.003 0.000 0.201 540 D C 1.715 177.998 176.300 -0.029 0.000 0.980 540 D CA 1.228 55.227 54.000 -0.003 0.000 0.842 540 D CB -0.259 40.543 40.800 0.003 0.000 0.948 540 D HN 0.643 nan 8.370 nan 0.000 0.472 541 N N 0.085 118.775 118.700 -0.016 0.000 2.270 541 N HA -0.124 4.614 4.740 -0.003 0.000 0.181 541 N C 1.687 177.183 175.510 -0.023 0.000 1.016 541 N CA 1.889 54.925 53.050 -0.023 0.000 0.870 541 N CB -0.043 38.440 38.487 -0.008 0.000 0.979 541 N HN 0.158 nan 8.380 nan 0.000 0.431 542 T N -1.550 113.005 114.554 0.002 0.000 2.904 542 T HA -0.094 4.254 4.350 -0.003 0.000 0.267 542 T C 1.880 176.570 174.700 -0.015 0.000 1.059 542 T CA 0.852 62.962 62.100 0.017 0.000 1.137 542 T CB -0.479 68.440 68.868 0.086 0.000 0.879 542 T HN 0.170 nan 8.240 nan 0.000 0.467 543 L N 0.650 121.859 121.223 -0.023 0.000 1.994 543 L HA 0.167 4.505 4.340 -0.003 0.000 0.208 543 L C 2.306 179.089 176.870 -0.146 0.000 1.071 543 L CA 1.519 56.323 54.840 -0.061 0.000 0.745 543 L CB -0.947 41.093 42.059 -0.032 0.000 0.892 543 L HN 0.275 nan 8.230 nan 0.000 0.431 544 I N -0.756 119.707 120.570 -0.178 0.000 2.315 544 I HA -0.236 3.932 4.170 -0.003 0.000 0.248 544 I C 2.196 178.061 176.117 -0.421 0.000 1.117 544 I CA 1.894 63.006 61.300 -0.313 0.000 1.404 544 I CB -0.578 37.272 38.000 -0.250 0.000 1.071 544 I HN 0.342 nan 8.210 nan 0.000 0.419 545 T N 0.342 114.766 114.554 -0.217 0.000 2.720 545 T HA -0.255 4.093 4.350 -0.003 0.000 0.268 545 T C 1.907 176.541 174.700 -0.110 0.000 1.037 545 T CA 1.907 63.933 62.100 -0.123 0.000 1.144 545 T CB -0.275 68.568 68.868 -0.041 0.000 0.864 545 T HN 0.256 nan 8.240 nan 0.000 0.444 546 K N 1.094 121.423 120.400 -0.118 0.000 2.057 546 K HA 0.041 4.359 4.320 -0.003 0.000 0.207 546 K C 2.092 178.588 176.600 -0.173 0.000 1.049 546 K CA 1.119 57.340 56.287 -0.110 0.000 0.931 546 K CB -0.546 31.877 32.500 -0.129 0.000 0.714 546 K HN 0.300 nan 8.250 nan 0.000 0.440 547 L N -0.012 121.074 121.223 -0.229 0.000 2.017 547 L HA -0.212 4.126 4.340 -0.003 0.000 0.208 547 L C 2.471 179.251 176.870 -0.150 0.000 1.073 547 L CA 1.320 56.026 54.840 -0.223 0.000 0.745 547 L CB -0.860 41.069 42.059 -0.216 0.000 0.894 547 L HN 0.339 nan 8.230 nan 0.000 0.432 548 H N -0.984 118.079 119.070 -0.011 0.000 2.387 548 H HA -0.138 4.416 4.556 -0.003 0.000 0.299 548 H C 2.622 177.890 175.328 -0.100 0.000 1.090 548 H CA 1.489 57.562 56.048 0.043 0.000 1.332 548 H CB -0.428 29.395 29.762 0.102 0.000 1.386 548 H HN 0.240 nan 8.280 nan 0.000 0.516 549 S N -0.299 115.398 115.700 -0.004 0.000 2.382 549 S HA -0.169 4.300 4.470 -0.003 0.000 0.228 549 S C 1.940 176.387 174.600 -0.254 0.000 1.027 549 S CA 1.035 59.180 58.200 -0.091 0.000 0.991 549 S CB -0.172 62.987 63.200 -0.069 0.000 0.823 549 S HN 0.566 nan 8.310 nan 0.000 0.469 550 H N -1.595 117.155 119.070 -0.532 0.000 2.448 550 H HA 0.071 4.626 4.556 -0.002 0.000 0.292 550 H C 1.037 175.835 175.328 -0.882 0.000 1.035 550 H CA 1.426 56.969 56.048 -0.842 0.000 1.349 550 H CB 0.099 29.019 29.762 -1.404 0.000 1.425 550 H HN 0.518 nan 8.280 nan 0.000 0.539 551 F N -0.379 119.396 119.950 -0.291 0.000 2.740 551 F HA 0.160 4.686 4.527 -0.002 0.000 0.304 551 F C 1.323 176.961 175.800 -0.269 0.000 1.098 551 F CA -0.271 57.436 58.000 -0.487 0.000 1.258 551 F CB -0.032 38.260 39.000 -1.179 0.000 1.061 551 F HN -0.214 nan 8.300 nan 0.000 0.598 552 S N 1.881 117.592 115.700 0.019 0.000 2.533 552 S HA 0.150 4.618 4.470 -0.003 0.000 0.282 552 S C 0.869 175.531 174.600 0.103 0.000 1.304 552 S CA -0.283 58.037 58.200 0.200 0.000 1.063 552 S CB 0.006 63.295 63.200 0.149 0.000 0.881 552 S HN 0.298 nan 8.310 nan 0.000 0.493 553 K N 2.520 122.992 120.400 0.121 0.000 3.193 553 K HA -0.187 4.131 4.320 -0.003 0.000 0.294 553 K C 0.432 177.069 176.600 0.062 0.000 1.185 553 K CA 1.747 58.078 56.287 0.073 0.000 0.866 553 K CB -1.847 30.676 32.500 0.037 0.000 1.227 553 K HN 0.767 nan 8.250 nan 0.000 0.467 554 K N -0.575 119.874 120.400 0.081 0.000 2.410 554 K HA 0.087 4.405 4.320 -0.003 0.000 0.204 554 K C 0.560 177.222 176.600 0.103 0.000 1.268 554 K CA -0.374 55.953 56.287 0.066 0.000 0.896 554 K CB 0.266 32.784 32.500 0.030 0.000 1.401 554 K HN 0.057 nan 8.250 nan 0.000 0.479 555 N N 1.131 119.923 118.700 0.154 0.000 2.422 555 N HA 0.163 4.901 4.740 -0.003 0.000 0.266 555 N C 0.197 175.797 175.510 0.151 0.000 1.007 555 N CA 0.111 53.251 53.050 0.149 0.000 0.941 555 N CB 1.825 40.401 38.487 0.149 0.000 1.115 555 N HN 0.177 nan 8.380 nan 0.000 0.492 556 A N 4.142 127.027 122.820 0.108 0.000 2.125 556 A HA -0.072 4.246 4.320 -0.003 0.000 0.219 556 A C 1.508 179.150 177.584 0.097 0.000 1.156 556 A CA 1.161 53.255 52.037 0.094 0.000 0.671 556 A CB 0.019 19.062 19.000 0.071 0.000 0.794 556 A HN 0.578 nan 8.150 nan 0.000 0.459 557 K N -1.745 118.717 120.400 0.103 0.000 2.374 557 K HA 0.180 4.498 4.320 -0.003 0.000 0.196 557 K C -0.545 176.132 176.600 0.129 0.000 1.023 557 K CA -0.044 56.296 56.287 0.087 0.000 1.103 557 K CB -0.163 32.374 32.500 0.062 0.000 0.848 557 K HN 0.589 nan 8.250 nan 0.000 0.528 558 Y N 1.061 121.383 120.300 0.037 0.000 2.446 558 Y HA 0.331 4.879 4.550 -0.003 0.000 0.338 558 Y C -0.786 175.175 175.900 0.102 0.000 1.055 558 Y CA -0.989 57.161 58.100 0.084 0.000 1.101 558 Y CB 1.492 40.005 38.460 0.089 0.000 1.221 558 Y HN -0.054 nan 8.280 nan 0.000 0.460 559 E N 4.523 124.546 120.200 -0.295 0.000 2.263 559 E HA 0.169 4.517 4.350 -0.003 0.000 0.268 559 E C -1.705 174.685 176.600 -0.351 0.000 0.884 559 E CA -0.757 55.541 56.400 -0.170 0.000 0.766 559 E CB 1.314 30.960 29.700 -0.089 0.000 1.196 559 E HN 0.763 nan 8.360 nan 0.000 0.416 560 E N 6.385 126.486 120.200 -0.165 0.000 2.105 560 E HA 0.254 4.602 4.350 -0.003 0.000 0.285 560 E C -2.083 174.347 176.600 -0.283 0.000 1.055 560 E CA -1.991 54.216 56.400 -0.321 0.000 0.843 560 E CB 0.752 30.159 29.700 -0.489 0.000 1.067 560 E HN 0.277 nan 8.360 nan 0.000 0.398 561 P HA 0.133 nan 4.420 nan 0.000 0.277 561 P C -0.268 176.783 177.300 -0.416 0.000 1.240 561 P CA -0.261 62.567 63.100 -0.453 0.000 0.798 561 P CB 1.079 32.167 31.700 -1.019 0.000 0.979 562 R N 0.682 121.025 120.500 -0.263 0.000 2.276 562 R HA 0.091 4.429 4.340 -0.003 0.000 0.196 562 R C 1.535 177.780 176.300 -0.091 0.000 0.961 562 R CA 0.850 56.874 56.100 -0.127 0.000 1.024 562 R CB -0.405 29.889 30.300 -0.011 0.000 0.940 562 R HN 0.534 nan 8.270 nan 0.000 0.480 563 F N -1.265 118.679 119.950 -0.011 0.000 2.765 563 F HA 0.364 4.889 4.527 -0.003 0.000 0.302 563 F C 0.319 176.120 175.800 0.002 0.000 1.111 563 F CA -0.637 57.360 58.000 -0.006 0.000 1.359 563 F CB 0.312 39.306 39.000 -0.011 0.000 1.097 563 F HN -0.262 nan 8.300 nan 0.000 0.577 564 S N -0.155 115.355 115.700 -0.317 0.000 2.537 564 S HA 0.401 4.869 4.470 -0.003 0.000 0.271 564 S C -0.216 174.309 174.600 -0.125 0.000 1.148 564 S CA -0.828 57.286 58.200 -0.143 0.000 0.868 564 S CB 1.606 64.734 63.200 -0.120 0.000 1.115 564 S HN 0.251 nan 8.310 nan 0.000 0.461 565 K N 1.245 121.632 120.400 -0.021 0.000 2.358 565 K HA 0.159 4.477 4.320 -0.003 0.000 0.197 565 K C 0.801 177.431 176.600 0.049 0.000 1.025 565 K CA 0.613 56.919 56.287 0.031 0.000 1.104 565 K CB 0.471 32.989 32.500 0.031 0.000 0.855 565 K HN 0.716 nan 8.250 nan 0.000 0.531 566 T N -2.437 112.131 114.554 0.023 0.000 3.145 566 T HA 0.262 4.610 4.350 -0.003 0.000 0.281 566 T C -0.007 174.695 174.700 0.002 0.000 1.003 566 T CA -0.523 61.582 62.100 0.007 0.000 0.901 566 T CB 0.232 69.101 68.868 0.002 0.000 1.112 566 T HN -0.094 nan 8.240 nan 0.000 0.535 567 E N 0.970 121.183 120.200 0.023 0.000 2.312 567 E HA 0.675 5.023 4.350 -0.003 0.000 0.267 567 E C -1.422 175.240 176.600 0.104 0.000 0.894 567 E CA -1.246 55.147 56.400 -0.011 0.000 0.773 567 E CB 2.221 31.885 29.700 -0.059 0.000 1.241 567 E HN 0.444 nan 8.360 nan 0.000 0.432 568 F N -1.573 118.364 119.950 -0.021 0.000 2.613 568 F HA 0.783 5.308 4.527 -0.003 0.000 0.310 568 F C -0.348 175.387 175.800 -0.109 0.000 1.085 568 F CA -1.039 56.897 58.000 -0.108 0.000 0.945 568 F CB 1.239 40.193 39.000 -0.076 0.000 1.298 568 F HN 0.402 nan 8.300 nan 0.000 0.455 569 G N 1.249 109.952 108.800 -0.163 0.000 2.379 569 G HA2 0.599 4.557 3.960 -0.003 0.000 0.327 569 G HA3 0.599 4.557 3.960 -0.003 0.000 0.327 569 G C -1.919 172.969 174.900 -0.020 0.000 1.145 569 G CA -1.015 44.007 45.100 -0.129 0.000 0.905 569 G HN 0.691 nan 8.290 nan 0.000 0.466 570 V N 1.511 121.456 119.914 0.051 0.000 2.487 570 V HA 0.386 4.504 4.120 -0.003 0.000 0.298 570 V C 0.159 176.141 176.094 -0.186 0.000 1.028 570 V CA -0.701 61.600 62.300 0.001 0.000 0.860 570 V CB 1.963 33.828 31.823 0.069 0.000 0.991 570 V HN 0.759 nan 8.190 nan 0.000 0.427 571 T N 5.078 119.557 114.554 -0.124 0.000 2.739 571 T HA 0.334 4.682 4.350 -0.003 0.000 0.298 571 T C -0.049 174.590 174.700 -0.101 0.000 0.929 571 T CA -0.136 61.912 62.100 -0.086 0.000 1.014 571 T CB -0.477 68.387 68.868 -0.007 0.000 0.914 571 T HN 0.540 nan 8.240 nan 0.000 0.509 572 H N 2.032 121.205 119.070 0.173 0.000 2.508 572 H HA 0.110 4.665 4.556 -0.003 0.000 0.358 572 H C 1.267 176.643 175.328 0.080 0.000 1.212 572 H CA -0.866 55.315 56.048 0.223 0.000 1.356 572 H CB 0.583 30.569 29.762 0.374 0.000 1.525 572 H HN 0.720 nan 8.280 nan 0.000 0.578 573 Y N 0.230 120.623 120.300 0.155 0.000 2.139 573 Y HA -0.210 4.338 4.550 -0.003 0.000 0.282 573 Y C 1.869 177.697 175.900 -0.120 0.000 1.179 573 Y CA 1.469 59.578 58.100 0.014 0.000 1.161 573 Y CB -0.870 37.599 38.460 0.015 0.000 0.970 573 Y HN 0.474 nan 8.280 nan 0.000 0.511 574 A N 0.398 122.412 122.820 -1.343 0.000 2.251 574 A HA 0.572 4.891 4.320 -0.003 0.000 0.209 574 A C 1.232 178.423 177.584 -0.654 0.000 1.187 574 A CA 0.656 51.886 52.037 -1.346 0.000 0.823 574 A CB -0.950 16.576 19.000 -2.456 0.000 0.846 574 A HN 1.143 nan 8.150 nan 0.000 0.486 575 G N -1.391 107.229 108.800 -0.301 0.000 2.340 575 G HA2 0.166 4.125 3.960 -0.003 0.000 0.527 575 G HA3 0.166 4.125 3.960 -0.003 0.000 0.527 575 G C -0.775 174.166 174.900 0.069 0.000 1.381 575 G CA -0.466 44.590 45.100 -0.072 0.000 1.001 575 G HN 0.394 nan 8.290 nan 0.000 0.626 576 Q N -0.655 119.160 119.800 0.026 0.000 2.332 576 Q HA 0.513 4.851 4.340 -0.003 0.000 0.263 576 Q C -0.359 175.650 176.000 0.015 0.000 0.979 576 Q CA -0.220 55.590 55.803 0.010 0.000 0.885 576 Q CB 1.003 29.731 28.738 -0.017 0.000 1.218 576 Q HN 0.594 nan 8.270 nan 0.000 0.405 577 V N 5.078 124.969 119.914 -0.039 0.000 2.540 577 V HA 0.383 4.501 4.120 -0.003 0.000 0.302 577 V C -0.258 175.568 176.094 -0.446 0.000 1.035 577 V CA -0.835 61.317 62.300 -0.246 0.000 0.873 577 V CB 1.892 33.537 31.823 -0.298 0.000 0.992 577 V HN 0.857 nan 8.190 nan 0.000 0.428 578 M N 4.422 123.767 119.600 -0.425 0.000 2.157 578 M HA 0.504 4.982 4.480 -0.003 0.000 0.354 578 M C -1.295 174.679 176.300 -0.543 0.000 1.170 578 M CA -0.288 54.791 55.300 -0.369 0.000 1.060 578 M CB 1.156 33.705 32.600 -0.085 0.000 1.615 578 M HN 0.578 nan 8.290 nan 0.000 0.460 579 Y N 1.014 121.078 120.300 -0.393 0.000 2.335 579 Y HA 0.356 4.904 4.550 -0.003 0.000 0.338 579 Y C 0.335 176.030 175.900 -0.341 0.000 0.977 579 Y CA -0.950 56.934 58.100 -0.361 0.000 1.114 579 Y CB 1.192 39.270 38.460 -0.637 0.000 1.182 579 Y HN 0.519 nan 8.280 nan 0.000 0.463 580 E N 2.429 122.662 120.200 0.055 0.000 2.227 580 E HA 0.214 4.562 4.350 -0.003 0.000 0.282 580 E C -0.156 176.402 176.600 -0.070 0.000 1.015 580 E CA -0.113 56.297 56.400 0.016 0.000 0.823 580 E CB 1.014 30.767 29.700 0.088 0.000 1.081 580 E HN 0.648 nan 8.360 nan 0.000 0.396 581 I N 3.105 123.519 120.570 -0.260 0.000 3.251 581 I HA 0.016 4.184 4.170 -0.003 0.000 0.277 581 I C 0.800 176.794 176.117 -0.206 0.000 1.268 581 I CA 0.460 61.396 61.300 -0.607 0.000 1.449 581 I CB -0.355 37.419 38.000 -0.377 0.000 1.083 581 I HN 0.676 nan 8.210 nan 0.000 0.464 582 Q N 1.313 121.116 119.800 0.005 0.000 2.308 582 Q HA -0.135 4.203 4.340 -0.003 0.000 0.313 582 Q C -0.000 176.129 176.000 0.215 0.000 1.075 582 Q CA 0.984 56.839 55.803 0.087 0.000 0.995 582 Q CB 0.131 28.906 28.738 0.062 0.000 1.107 582 Q HN 0.362 nan 8.270 nan 0.000 0.380 583 D N 2.388 122.887 120.400 0.165 0.000 3.006 583 D HA -0.220 4.418 4.640 -0.003 0.000 0.205 583 D C -0.154 176.281 176.300 0.224 0.000 1.075 583 D CA 0.965 55.055 54.000 0.150 0.000 1.000 583 D CB -1.270 39.589 40.800 0.099 0.000 1.097 583 D HN 0.678 nan 8.370 nan 0.000 0.426 584 W N 1.166 122.447 121.300 -0.031 0.000 2.358 584 W HA 0.062 4.720 4.660 -0.003 0.000 0.303 584 W C 2.541 178.953 176.519 -0.178 0.000 1.208 584 W CA 0.808 58.087 57.345 -0.111 0.000 1.274 584 W CB -0.951 28.478 29.460 -0.051 0.000 1.138 584 W HN 0.174 nan 8.180 nan 0.000 0.515 585 L N -0.198 121.100 121.223 0.125 0.000 2.042 585 L HA -0.220 4.118 4.340 -0.003 0.000 0.210 585 L C 2.500 179.362 176.870 -0.014 0.000 1.076 585 L CA 1.318 56.178 54.840 0.033 0.000 0.749 585 L CB -0.813 41.273 42.059 0.044 0.000 0.893 585 L HN -0.089 nan 8.230 nan 0.000 0.432 586 E N 0.387 120.587 120.200 0.001 0.000 2.072 586 E HA -0.163 4.185 4.350 -0.003 0.000 0.190 586 E C 2.145 178.719 176.600 -0.043 0.000 0.982 586 E CA 0.963 57.356 56.400 -0.011 0.000 0.803 586 E CB -0.102 29.602 29.700 0.007 0.000 0.755 586 E HN 0.444 nan 8.360 nan 0.000 0.453 587 K N 0.789 121.142 120.400 -0.078 0.000 2.063 587 K HA -0.156 4.162 4.320 -0.003 0.000 0.208 587 K C 2.027 178.492 176.600 -0.225 0.000 1.048 587 K CA 1.315 57.522 56.287 -0.133 0.000 0.928 587 K CB -0.130 32.255 32.500 -0.191 0.000 0.713 587 K HN -0.036 nan 8.250 nan 0.000 0.442 588 N N 1.171 119.656 118.700 -0.357 0.000 2.188 588 N HA -0.114 4.624 4.740 -0.003 0.000 0.184 588 N C 1.241 176.692 175.510 -0.098 0.000 1.018 588 N CA 1.402 54.253 53.050 -0.330 0.000 0.858 588 N CB 0.174 38.443 38.487 -0.365 0.000 0.989 588 N HN 0.076 nan 8.380 nan 0.000 0.426 589 K N -0.244 120.122 120.400 -0.056 0.000 2.155 589 K HA -0.051 4.267 4.320 -0.003 0.000 0.203 589 K C -0.089 176.517 176.600 0.010 0.000 1.052 589 K CA 0.651 56.942 56.287 0.007 0.000 0.948 589 K CB 0.020 32.531 32.500 0.019 0.000 0.728 589 K HN 0.091 nan 8.250 nan 0.000 0.448 590 D N 0.837 121.230 120.400 -0.013 0.000 2.735 590 D HA -0.102 4.537 4.640 -0.003 0.000 0.235 590 D C -2.435 173.852 176.300 -0.022 0.000 1.175 590 D CA 0.104 54.097 54.000 -0.012 0.000 0.683 590 D CB -0.196 40.601 40.800 -0.005 0.000 1.008 590 D HN 0.153 nan 8.370 nan 0.000 0.416 591 P HA 0.429 nan 4.420 nan 0.000 0.274 591 P C -0.652 176.635 177.300 -0.021 0.000 1.237 591 P CA -0.712 62.383 63.100 -0.008 0.000 0.793 591 P CB 1.209 32.919 31.700 0.018 0.000 0.977 592 L N 1.317 122.522 121.223 -0.030 0.000 2.505 592 L HA 0.270 4.609 4.340 -0.003 0.000 0.266 592 L C -0.558 176.316 176.870 0.007 0.000 0.954 592 L CA -0.514 54.318 54.840 -0.014 0.000 0.852 592 L CB 1.935 43.974 42.059 -0.034 0.000 1.282 592 L HN 0.229 nan 8.230 nan 0.000 0.403 593 Q N 2.244 122.058 119.800 0.025 0.000 2.300 593 Q HA 0.040 4.378 4.340 -0.003 0.000 0.280 593 Q C 0.828 176.857 176.000 0.048 0.000 1.033 593 Q CA 0.292 56.116 55.803 0.036 0.000 0.903 593 Q CB 1.420 30.177 28.738 0.032 0.000 1.195 593 Q HN 0.751 nan 8.270 nan 0.000 0.386 594 Q N 1.965 121.798 119.800 0.055 0.000 2.181 594 Q HA -0.157 4.182 4.340 -0.003 0.000 0.205 594 Q C 1.022 177.059 176.000 0.061 0.000 0.980 594 Q CA 1.698 57.540 55.803 0.065 0.000 0.862 594 Q CB -0.028 28.755 28.738 0.075 0.000 0.905 594 Q HN 0.583 nan 8.270 nan 0.000 0.429 595 D N -0.101 120.328 120.400 0.048 0.000 2.219 595 D HA -0.001 4.638 4.640 -0.003 0.000 0.205 595 D C 1.725 178.055 176.300 0.051 0.000 0.970 595 D CA 0.651 54.674 54.000 0.039 0.000 0.851 595 D CB -0.078 40.738 40.800 0.026 0.000 0.943 595 D HN 0.327 nan 8.370 nan 0.000 0.488 596 L N 0.517 121.781 121.223 0.069 0.000 2.109 596 L HA -0.093 4.246 4.340 -0.003 0.000 0.207 596 L C 2.264 179.199 176.870 0.108 0.000 1.086 596 L CA 0.950 55.852 54.840 0.103 0.000 0.760 596 L CB -0.215 41.894 42.059 0.085 0.000 0.910 596 L HN -0.022 nan 8.230 nan 0.000 0.437 597 E N 0.231 120.502 120.200 0.119 0.000 2.077 597 E HA -0.219 4.130 4.350 -0.003 0.000 0.193 597 E C 2.334 178.977 176.600 0.072 0.000 0.989 597 E CA 1.086 57.592 56.400 0.176 0.000 0.800 597 E CB -0.132 29.700 29.700 0.219 0.000 0.746 597 E HN 0.445 nan 8.360 nan 0.000 0.452 598 L N 0.549 121.804 121.223 0.053 0.000 2.083 598 L HA -0.216 4.122 4.340 -0.003 0.000 0.209 598 L C 2.815 179.662 176.870 -0.039 0.000 1.083 598 L CA 0.709 55.558 54.840 0.016 0.000 0.752 598 L CB -0.493 41.576 42.059 0.017 0.000 0.899 598 L HN 0.371 nan 8.230 nan 0.000 0.433 599 C N 0.024 119.298 119.300 -0.045 0.000 2.413 599 C HA -0.221 4.237 4.460 -0.003 0.000 0.277 599 C C 2.658 177.461 174.990 -0.312 0.000 1.228 599 C CA 0.780 59.715 59.018 -0.138 0.000 1.731 599 C CB -0.851 26.839 27.740 -0.083 0.000 2.042 599 C HN 0.464 nan 8.230 nan 0.000 0.468 600 F N 1.034 120.689 119.950 -0.491 0.000 2.512 600 F HA 0.131 4.656 4.527 -0.003 0.000 0.296 600 F C 2.357 177.834 175.800 -0.539 0.000 1.110 600 F CA 1.129 58.670 58.000 -0.765 0.000 1.446 600 F CB -0.406 37.552 39.000 -1.736 0.000 1.092 600 F HN 0.208 nan 8.300 nan 0.000 0.554 601 K N -0.269 120.026 120.400 -0.174 0.000 2.211 601 K HA -0.195 4.123 4.320 -0.003 0.000 0.204 601 K C 1.014 177.585 176.600 -0.047 0.000 1.047 601 K CA 1.369 57.648 56.287 -0.014 0.000 0.935 601 K CB -0.170 32.357 32.500 0.046 0.000 0.728 601 K HN 0.031 nan 8.250 nan 0.000 0.452 602 D N 0.584 120.920 120.400 -0.106 0.000 2.325 602 D HA -0.003 4.635 4.640 -0.003 0.000 0.234 602 D C -0.227 176.002 176.300 -0.119 0.000 1.122 602 D CA 0.108 54.050 54.000 -0.097 0.000 0.850 602 D CB 0.050 40.786 40.800 -0.107 0.000 0.921 602 D HN -0.054 nan 8.370 nan 0.000 0.513 603 S N -0.714 114.904 115.700 -0.137 0.000 2.562 603 S HA 0.044 4.512 4.470 -0.003 0.000 0.281 603 S C 1.569 176.136 174.600 -0.054 0.000 1.333 603 S CA 0.019 58.146 58.200 -0.122 0.000 1.052 603 S CB 0.879 64.023 63.200 -0.093 0.000 0.884 603 S HN 0.216 nan 8.310 nan 0.000 0.506 604 S N 2.367 118.042 115.700 -0.041 0.000 2.561 604 S HA 0.037 4.505 4.470 -0.003 0.000 0.225 604 S C 0.194 174.794 174.600 -0.001 0.000 0.977 604 S CA 0.121 58.311 58.200 -0.018 0.000 0.926 604 S CB -0.399 62.792 63.200 -0.016 0.000 0.769 604 S HN 0.815 nan 8.310 nan 0.000 0.533 605 D N 0.983 121.388 120.400 0.009 0.000 2.225 605 D HA 0.330 4.968 4.640 -0.003 0.000 0.248 605 D C 0.736 177.034 176.300 -0.003 0.000 1.096 605 D CA -0.351 53.658 54.000 0.016 0.000 0.863 605 D CB 0.718 41.547 40.800 0.048 0.000 1.156 605 D HN 0.180 nan 8.370 nan 0.000 0.450 606 N N 1.850 120.542 118.700 -0.013 0.000 2.309 606 N HA -0.118 4.620 4.740 -0.003 0.000 0.182 606 N C 1.346 176.808 175.510 -0.079 0.000 1.018 606 N CA 0.369 53.406 53.050 -0.021 0.000 0.876 606 N CB 0.359 38.847 38.487 0.002 0.000 0.972 606 N HN 0.218 nan 8.380 nan 0.000 0.434 607 V N 0.250 120.069 119.914 -0.159 0.000 2.446 607 V HA -0.094 4.024 4.120 -0.003 0.000 0.244 607 V C 2.194 178.112 176.094 -0.293 0.000 1.039 607 V CA 0.917 62.972 62.300 -0.408 0.000 1.045 607 V CB -0.189 31.267 31.823 -0.613 0.000 0.681 607 V HN 0.092 nan 8.190 nan 0.000 0.459 608 V N -0.035 119.825 119.914 -0.090 0.000 2.332 608 V HA -0.307 3.811 4.120 -0.003 0.000 0.248 608 V C 2.699 178.876 176.094 0.138 0.000 1.055 608 V CA 2.724 65.070 62.300 0.076 0.000 1.038 608 V CB -0.916 31.008 31.823 0.168 0.000 0.651 608 V HN 0.662 nan 8.190 nan 0.000 0.450 609 T N -0.463 114.126 114.554 0.058 0.000 2.833 609 T HA -0.187 4.161 4.350 -0.003 0.000 0.269 609 T C 2.121 176.865 174.700 0.073 0.000 1.054 609 T CA 1.944 64.092 62.100 0.081 0.000 1.135 609 T CB -0.134 68.754 68.868 0.033 0.000 0.869 609 T HN 0.478 nan 8.240 nan 0.000 0.466 610 K N 0.983 121.375 120.400 -0.014 0.000 2.097 610 K HA 0.164 4.482 4.320 -0.003 0.000 0.205 610 K C 2.362 178.935 176.600 -0.045 0.000 1.050 610 K CA 1.003 57.275 56.287 -0.025 0.000 0.938 610 K CB -0.898 31.565 32.500 -0.061 0.000 0.718 610 K HN 0.551 nan 8.250 nan 0.000 0.442 611 L N -1.184 119.976 121.223 -0.104 0.000 2.191 611 L HA -0.028 4.310 4.340 -0.003 0.000 0.212 611 L C 1.965 178.629 176.870 -0.344 0.000 1.103 611 L CA 1.477 56.192 54.840 -0.208 0.000 0.769 611 L CB -0.382 41.539 42.059 -0.230 0.000 0.908 611 L HN 0.210 nan 8.230 nan 0.000 0.438 612 F N -1.185 118.734 119.950 -0.051 0.000 2.717 612 F HA 0.112 4.637 4.527 -0.003 0.000 0.297 612 F C 2.050 177.844 175.800 -0.011 0.000 1.113 612 F CA 0.141 58.125 58.000 -0.027 0.000 1.319 612 F CB 0.080 39.085 39.000 0.008 0.000 1.097 612 F HN 0.037 nan 8.300 nan 0.000 0.595 613 N N -0.918 117.856 118.700 0.123 0.000 2.332 613 N HA -0.032 4.706 4.740 -0.003 0.000 0.190 613 N C -0.072 175.462 175.510 0.041 0.000 1.117 613 N CA 0.316 53.414 53.050 0.080 0.000 0.883 613 N CB 0.222 38.754 38.487 0.075 0.000 1.089 613 N HN 0.054 nan 8.380 nan 0.000 0.480 614 D N 3.235 123.651 120.400 0.026 0.000 2.338 614 D HA 0.075 4.713 4.640 -0.003 0.000 0.255 614 D C -1.446 174.856 176.300 0.003 0.000 1.237 614 D CA -1.839 52.174 54.000 0.022 0.000 0.883 614 D CB 1.504 42.328 40.800 0.040 0.000 1.087 614 D HN 0.072 nan 8.370 nan 0.000 0.485 615 P HA -0.131 nan 4.420 nan 0.000 0.220 615 P C 0.791 178.087 177.300 -0.006 0.000 1.148 615 P CA 0.708 63.810 63.100 0.003 0.000 0.803 615 P CB 0.372 32.081 31.700 0.015 0.000 0.782 616 N N -0.262 118.436 118.700 -0.005 0.000 2.381 616 N HA -0.051 4.687 4.740 -0.003 0.000 0.182 616 N C 1.829 177.326 175.510 -0.021 0.000 1.025 616 N CA 0.960 54.004 53.050 -0.011 0.000 0.888 616 N CB -0.263 38.216 38.487 -0.012 0.000 0.965 616 N HN 0.319 nan 8.380 nan 0.000 0.438 617 I N -0.221 120.333 120.570 -0.027 0.000 2.927 617 I HA 0.057 4.225 4.170 -0.003 0.000 0.268 617 I C 1.975 178.028 176.117 -0.107 0.000 1.153 617 I CA 0.341 61.610 61.300 -0.053 0.000 1.459 617 I CB 0.144 38.124 38.000 -0.032 0.000 1.149 617 I HN -0.030 nan 8.210 nan 0.000 0.443 618 A N -0.015 122.737 122.820 -0.113 0.000 2.085 618 A HA 0.442 4.760 4.320 -0.003 0.000 0.208 618 A C 1.449 178.965 177.584 -0.113 0.000 1.191 618 A CA 0.594 52.532 52.037 -0.165 0.000 0.799 618 A CB -0.450 18.460 19.000 -0.149 0.000 0.877 618 A HN 0.333 nan 8.150 nan 0.000 0.473 619 S N -0.119 115.547 115.700 -0.057 0.000 2.601 619 S HA 0.650 5.118 4.470 -0.003 0.000 0.271 619 S C 0.163 174.744 174.600 -0.031 0.000 1.305 619 S CA -0.397 57.790 58.200 -0.022 0.000 1.022 619 S CB 0.378 63.592 63.200 0.024 0.000 0.940 619 S HN 0.459 nan 8.310 nan 0.000 0.525 620 R N 0.838 121.331 120.500 -0.013 0.000 2.561 620 R HA 0.644 4.982 4.340 -0.003 0.000 0.297 620 R C -0.190 176.234 176.300 0.207 0.000 0.969 620 R CA -0.547 55.560 56.100 0.012 0.000 0.879 620 R CB 1.461 31.632 30.300 -0.214 0.000 1.178 620 R HN 0.854 nan 8.270 nan 0.000 0.445 621 A N 2.312 125.233 122.820 0.169 0.000 2.448 621 A HA 0.476 4.794 4.320 -0.003 0.000 0.239 621 A C -0.189 177.536 177.584 0.235 0.000 1.080 621 A CA -0.022 52.115 52.037 0.166 0.000 0.779 621 A CB 0.266 19.328 19.000 0.104 0.000 1.026 621 A HN 0.802 nan 8.150 nan 0.000 0.499 622 K N -0.232 120.242 120.400 0.123 0.000 2.156 622 K HA 0.754 5.072 4.320 -0.003 0.000 0.250 622 K C -0.305 176.311 176.600 0.028 0.000 0.955 622 K CA -0.167 56.138 56.287 0.030 0.000 0.855 622 K CB 0.978 33.436 32.500 -0.070 0.000 1.101 622 K HN 1.698 nan 8.250 nan 0.000 0.434 623 K N 0.709 121.115 120.400 0.010 0.000 2.559 623 K HA 0.711 5.029 4.320 -0.003 0.000 0.249 623 K C 0.977 177.569 176.600 -0.013 0.000 0.958 623 K CA 0.092 56.385 56.287 0.010 0.000 0.901 623 K CB 0.243 32.761 32.500 0.031 0.000 1.124 623 K HN 2.427 nan 8.250 nan 0.000 0.437 624 G N 1.186 109.974 108.800 -0.020 0.000 2.611 624 G HA2 -0.011 3.947 3.960 -0.003 0.000 0.301 624 G HA3 -0.011 3.947 3.960 -0.003 0.000 0.301 624 G C 1.327 176.189 174.900 -0.064 0.000 1.233 624 G CA 1.065 46.147 45.100 -0.030 0.000 0.993 624 G HN 2.050 nan 8.290 nan 0.000 0.553 625 A N 0.437 123.218 122.820 -0.064 0.000 2.302 625 A HA 0.445 4.763 4.320 -0.003 0.000 0.219 625 A C 0.813 178.310 177.584 -0.144 0.000 1.243 625 A CA 0.863 52.841 52.037 -0.098 0.000 0.856 625 A CB -0.301 nan 19.000 nan 0.000 0.893 625 A HN 0.560 nan 8.150 nan 0.000 0.491 626 N N -0.891 117.729 118.700 -0.133 0.000 2.240 626 N HA 0.470 5.208 4.740 -0.003 0.000 0.302 626 N C -1.257 174.171 175.510 -0.137 0.000 1.106 626 N CA -0.435 52.543 53.050 -0.121 0.000 0.778 626 N CB 1.083 39.564 38.487 -0.010 0.000 1.431 626 N HN 0.061 nan 8.380 nan 0.000 0.479 627 F N 0.971 120.933 119.950 0.020 0.000 2.506 627 F HA 0.205 4.730 4.527 -0.003 0.000 0.351 627 F C 1.635 177.450 175.800 0.026 0.000 1.136 627 F CA -0.322 57.691 58.000 0.021 0.000 1.298 627 F CB 0.399 39.411 39.000 0.019 0.000 1.145 627 F HN 0.291 nan 8.300 nan 0.000 0.593 628 I N 2.673 123.394 120.570 0.252 0.000 2.752 628 I HA -0.029 4.139 4.170 -0.003 0.000 0.289 628 I C 0.722 176.925 176.117 0.143 0.000 1.197 628 I CA -0.036 61.357 61.300 0.156 0.000 1.432 628 I CB 0.321 38.399 38.000 0.129 0.000 1.359 628 I HN 0.779 nan 8.210 nan 0.000 0.571 629 T N 3.612 118.235 114.554 0.116 0.000 2.788 629 T HA 0.156 4.504 4.350 -0.003 0.000 0.287 629 T C 1.291 176.060 174.700 0.116 0.000 1.007 629 T CA -0.794 61.364 62.100 0.096 0.000 1.005 629 T CB 1.442 70.353 68.868 0.073 0.000 1.012 629 T HN 0.423 nan 8.240 nan 0.000 0.530 630 V N 1.510 121.490 119.914 0.111 0.000 2.407 630 V HA -0.131 3.987 4.120 -0.003 0.000 0.248 630 V C 3.102 179.377 176.094 0.301 0.000 1.055 630 V CA 2.183 64.604 62.300 0.201 0.000 1.049 630 V CB -1.730 30.237 31.823 0.240 0.000 0.662 630 V HN 1.078 nan 8.190 nan 0.000 0.455 631 A N 0.051 123.049 122.820 0.297 0.000 1.933 631 A HA -0.109 4.209 4.320 -0.003 0.000 0.218 631 A C 2.402 180.155 177.584 0.282 0.000 1.175 631 A CA 2.113 54.355 52.037 0.342 0.000 0.628 631 A CB -0.678 18.483 19.000 0.267 0.000 0.814 631 A HN 0.577 nan 8.150 nan 0.000 0.444 632 A N -0.870 122.067 122.820 0.196 0.000 1.929 632 A HA -0.126 4.192 4.320 -0.003 0.000 0.216 632 A C 2.103 179.773 177.584 0.144 0.000 1.176 632 A CA 1.455 53.584 52.037 0.155 0.000 0.628 632 A CB -0.463 18.607 19.000 0.117 0.000 0.816 632 A HN 0.640 nan 8.150 nan 0.000 0.444 633 Q N -1.775 118.118 119.800 0.154 0.000 2.050 633 Q HA -0.205 4.134 4.340 -0.003 0.000 0.202 633 Q C 1.998 178.071 176.000 0.121 0.000 0.980 633 Q CA 1.808 57.688 55.803 0.128 0.000 0.840 633 Q CB -0.435 28.382 28.738 0.133 0.000 0.898 633 Q HN 0.821 nan 8.270 nan 0.000 0.424 634 Y N 1.842 122.195 120.300 0.090 0.000 2.081 634 Y HA -0.339 4.210 4.550 -0.003 0.000 0.280 634 Y C 2.417 178.340 175.900 0.038 0.000 1.163 634 Y CA 2.027 60.161 58.100 0.056 0.000 1.135 634 Y CB -0.198 38.293 38.460 0.051 0.000 0.970 634 Y HN -0.198 nan 8.280 nan 0.000 0.498 635 K N 0.345 120.805 120.400 0.099 0.000 2.057 635 K HA -0.174 4.144 4.320 -0.003 0.000 0.207 635 K C 1.917 178.469 176.600 -0.079 0.000 1.049 635 K CA 1.715 58.019 56.287 0.029 0.000 0.931 635 K CB -0.543 32.054 32.500 0.163 0.000 0.714 635 K HN 0.648 nan 8.250 nan 0.000 0.440 636 E N 0.434 120.614 120.200 -0.033 0.000 2.077 636 E HA -0.221 4.128 4.350 -0.003 0.000 0.193 636 E C 2.465 179.016 176.600 -0.082 0.000 0.989 636 E CA 1.345 57.727 56.400 -0.030 0.000 0.800 636 E CB -0.102 29.605 29.700 0.012 0.000 0.746 636 E HN 0.499 nan 8.360 nan 0.000 0.452 637 Q N 0.266 119.991 119.800 -0.125 0.000 2.046 637 Q HA -0.157 4.181 4.340 -0.003 0.000 0.200 637 Q C 2.350 178.156 176.000 -0.322 0.000 0.975 637 Q CA 0.852 56.582 55.803 -0.122 0.000 0.836 637 Q CB -0.103 28.605 28.738 -0.051 0.000 0.896 637 Q HN 0.157 nan 8.270 nan 0.000 0.428 638 L N 0.562 121.477 121.223 -0.514 0.000 2.046 638 L HA -0.125 4.213 4.340 -0.003 0.000 0.208 638 L C 2.120 178.803 176.870 -0.312 0.000 1.077 638 L CA 2.053 56.574 54.840 -0.533 0.000 0.747 638 L CB -0.668 41.014 42.059 -0.627 0.000 0.896 638 L HN 0.123 nan 8.230 nan 0.000 0.432 639 A N -1.862 120.837 122.820 -0.201 0.000 1.930 639 A HA -0.186 4.132 4.320 -0.003 0.000 0.217 639 A C 2.503 180.020 177.584 -0.112 0.000 1.175 639 A CA 1.705 53.673 52.037 -0.116 0.000 0.627 639 A CB -0.998 17.970 19.000 -0.054 0.000 0.815 639 A HN 0.511 nan 8.150 nan 0.000 0.443 640 S N -0.605 115.028 115.700 -0.111 0.000 2.356 640 S HA -0.158 4.310 4.470 -0.003 0.000 0.223 640 S C 1.955 176.471 174.600 -0.139 0.000 1.032 640 S CA 1.602 59.751 58.200 -0.085 0.000 1.005 640 S CB -0.472 62.705 63.200 -0.038 0.000 0.867 640 S HN 0.535 nan 8.310 nan 0.000 0.449 641 L N 1.721 122.818 121.223 -0.210 0.000 1.989 641 L HA -0.027 4.312 4.340 -0.003 0.000 0.211 641 L C 2.212 178.887 176.870 -0.325 0.000 1.071 641 L CA 2.083 56.725 54.840 -0.330 0.000 0.749 641 L CB -0.804 40.995 42.059 -0.433 0.000 0.890 641 L HN 0.281 nan 8.230 nan 0.000 0.431 642 M N -0.296 119.146 119.600 -0.263 0.000 2.213 642 M HA -0.108 4.370 4.480 -0.003 0.000 0.263 642 M C 2.422 178.664 176.300 -0.097 0.000 1.062 642 M CA 1.687 56.867 55.300 -0.201 0.000 1.105 642 M CB -2.008 30.516 32.600 -0.127 0.000 1.385 642 M HN 0.470 nan 8.290 nan 0.000 0.417 643 A N -0.270 122.503 122.820 -0.079 0.000 1.902 643 A HA -0.136 4.182 4.320 -0.003 0.000 0.217 643 A C 2.380 179.960 177.584 -0.008 0.000 1.181 643 A CA 2.260 54.283 52.037 -0.023 0.000 0.623 643 A CB -1.132 17.856 19.000 -0.021 0.000 0.818 643 A HN 0.463 nan 8.150 nan 0.000 0.443 644 T N 0.525 115.041 114.554 -0.062 0.000 2.746 644 T HA -0.074 4.274 4.350 -0.003 0.000 0.267 644 T C 1.790 176.508 174.700 0.030 0.000 1.039 644 T CA 1.439 63.531 62.100 -0.013 0.000 1.142 644 T CB -0.380 68.409 68.868 -0.132 0.000 0.866 644 T HN 0.365 nan 8.240 nan 0.000 0.444 645 L N 1.031 122.191 121.223 -0.104 0.000 2.083 645 L HA -0.100 4.238 4.340 -0.003 0.000 0.209 645 L C 2.917 179.874 176.870 0.145 0.000 1.083 645 L CA 1.108 55.900 54.840 -0.080 0.000 0.752 645 L CB -0.610 41.168 42.059 -0.469 0.000 0.899 645 L HN 0.196 nan 8.230 nan 0.000 0.433 646 E N -0.630 119.675 120.200 0.175 0.000 2.265 646 E HA -0.161 4.187 4.350 -0.003 0.000 0.196 646 E C 2.074 178.781 176.600 0.178 0.000 0.996 646 E CA 1.212 57.760 56.400 0.246 0.000 0.832 646 E CB -0.493 29.316 29.700 0.182 0.000 0.756 646 E HN 0.742 nan 8.360 nan 0.000 0.491 647 T N -1.612 113.029 114.554 0.145 0.000 3.129 647 T HA 0.030 4.378 4.350 -0.003 0.000 0.251 647 T C 0.941 175.702 174.700 0.102 0.000 1.117 647 T CA 0.530 62.706 62.100 0.127 0.000 1.034 647 T CB -0.176 68.781 68.868 0.147 0.000 0.968 647 T HN 0.349 nan 8.240 nan 0.000 0.526 648 T N -0.167 114.450 114.554 0.105 0.000 2.950 648 T HA 0.544 4.892 4.350 -0.003 0.000 0.288 648 T C -0.635 174.072 174.700 0.012 0.000 1.035 648 T CA -1.025 61.096 62.100 0.035 0.000 1.028 648 T CB 1.470 70.377 68.868 0.066 0.000 1.109 648 T HN 0.067 nan 8.240 nan 0.000 0.514 649 N N 2.819 121.489 118.700 -0.050 0.000 2.420 649 N HA 0.407 5.145 4.740 -0.003 0.000 0.249 649 N C -2.545 172.811 175.510 -0.256 0.000 1.033 649 N CA -1.894 51.080 53.050 -0.127 0.000 0.944 649 N CB 0.778 39.193 38.487 -0.120 0.000 1.113 649 N HN 0.409 nan 8.380 nan 0.000 0.502 650 P HA 0.240 nan 4.420 nan 0.000 0.286 650 P C -1.218 175.626 177.300 -0.760 0.000 1.261 650 P CA -0.123 62.689 63.100 -0.481 0.000 0.821 650 P CB 1.144 32.544 31.700 -0.499 0.000 1.013 651 H N 1.732 120.589 119.070 -0.356 0.000 2.600 651 H HA 0.403 4.958 4.556 -0.003 0.000 0.357 651 H C -0.726 174.422 175.328 -0.299 0.000 1.106 651 H CA -0.274 55.658 56.048 -0.193 0.000 1.193 651 H CB 1.091 30.829 29.762 -0.040 0.000 1.594 651 H HN 0.311 nan 8.280 nan 0.000 0.526 652 F N 1.306 121.419 119.950 0.272 0.000 2.458 652 F HA 0.361 4.887 4.527 -0.003 0.000 0.336 652 F C 0.136 176.091 175.800 0.258 0.000 1.114 652 F CA -0.808 57.336 58.000 0.238 0.000 0.987 652 F CB 1.814 40.961 39.000 0.245 0.000 1.130 652 F HN 0.120 nan 8.300 nan 0.000 0.458 653 V N 4.418 124.544 119.914 0.353 0.000 2.444 653 V HA 0.523 4.641 4.120 -0.003 0.000 0.294 653 V C -0.559 175.660 176.094 0.207 0.000 1.022 653 V CA -1.001 61.462 62.300 0.271 0.000 0.850 653 V CB 1.690 33.622 31.823 0.182 0.000 0.992 653 V HN 0.525 nan 8.190 nan 0.000 0.426 654 R N 2.881 123.495 120.500 0.190 0.000 2.247 654 R HA 0.432 4.770 4.340 -0.003 0.000 0.329 654 R C -0.742 175.607 176.300 0.082 0.000 1.014 654 R CA -0.371 55.780 56.100 0.085 0.000 0.907 654 R CB 0.769 31.091 30.300 0.037 0.000 1.146 654 R HN 0.617 nan 8.270 nan 0.000 0.499 655 C N 4.064 123.399 119.300 0.058 0.000 2.527 655 C HA 0.485 4.943 4.460 -0.003 0.000 0.396 655 C C 0.605 175.598 174.990 0.005 0.000 1.289 655 C CA -0.474 58.562 59.018 0.029 0.000 2.047 655 C CB -0.129 27.623 27.740 0.020 0.000 2.568 655 C HN 0.573 nan 8.230 nan 0.000 0.573 656 I N 4.070 124.627 120.570 -0.021 0.000 2.466 656 I HA 0.408 4.576 4.170 -0.003 0.000 0.289 656 I C 0.005 176.088 176.117 -0.056 0.000 1.026 656 I CA -0.627 60.654 61.300 -0.031 0.000 1.078 656 I CB 1.381 39.361 38.000 -0.032 0.000 1.249 656 I HN 0.630 nan 8.210 nan 0.000 0.429 657 I N 8.510 129.065 120.570 -0.026 0.000 2.395 657 I HA 0.256 4.424 4.170 -0.003 0.000 0.289 657 I C -1.185 174.939 176.117 0.011 0.000 1.023 657 I CA -1.794 59.511 61.300 0.008 0.000 1.350 657 I CB 2.153 40.202 38.000 0.082 0.000 1.409 657 I HN 0.360 nan 8.210 nan 0.000 0.507 658 P HA -0.006 nan 4.420 nan 0.000 0.224 658 P C -0.921 176.400 177.300 0.036 0.000 1.157 658 P CA 0.940 64.021 63.100 -0.032 0.000 0.799 658 P CB 0.036 31.714 31.700 -0.037 0.000 0.809 659 N N -2.077 116.689 118.700 0.111 0.000 3.308 659 N HA 0.143 4.881 4.740 -0.003 0.000 0.276 659 N C -0.526 175.025 175.510 0.068 0.000 1.533 659 N CA -0.786 52.303 53.050 0.065 0.000 0.878 659 N CB -0.502 38.016 38.487 0.052 0.000 1.566 659 N HN -0.379 nan 8.380 nan 0.000 0.546 660 N N -0.805 117.905 118.700 0.018 0.000 2.328 660 N HA 0.214 4.952 4.740 -0.003 0.000 0.247 660 N C -0.575 174.913 175.510 -0.037 0.000 1.165 660 N CA 0.041 53.095 53.050 0.008 0.000 0.873 660 N CB 0.551 39.039 38.487 0.003 0.000 1.125 660 N HN 0.529 nan 8.380 nan 0.000 0.513 661 K N 0.140 120.486 120.400 -0.090 0.000 2.438 661 K HA 0.187 4.505 4.320 -0.003 0.000 0.206 661 K C -0.133 176.281 176.600 -0.310 0.000 1.081 661 K CA -0.097 56.102 56.287 -0.147 0.000 1.053 661 K CB 0.848 33.286 32.500 -0.103 0.000 0.908 661 K HN -0.026 nan 8.250 nan 0.000 0.556 662 Q N 0.926 120.383 119.800 -0.573 0.000 2.475 662 Q HA -0.185 4.153 4.340 -0.003 0.000 0.280 662 Q C -0.898 174.419 176.000 -1.139 0.000 1.234 662 Q CA 0.532 55.509 55.803 -1.377 0.000 0.873 662 Q CB -1.538 26.768 28.738 -0.720 0.000 1.256 662 Q HN 0.366 nan 8.270 nan 0.000 0.475 663 L N 0.559 121.397 121.223 -0.642 0.000 2.334 663 L HA 0.630 4.968 4.340 -0.003 0.000 0.276 663 L C -1.946 174.969 176.870 0.075 0.000 1.014 663 L CA -2.236 52.480 54.840 -0.206 0.000 0.815 663 L CB 1.369 43.370 42.059 -0.097 0.000 1.268 663 L HN -0.110 nan 8.230 nan 0.000 0.428 664 P HA 0.184 nan 4.420 nan 0.000 0.276 664 P C -0.178 177.213 177.300 0.151 0.000 1.252 664 P CA -0.130 63.087 63.100 0.194 0.000 0.802 664 P CB 1.180 32.945 31.700 0.109 0.000 1.035 665 A N -0.091 122.828 122.820 0.165 0.000 2.822 665 A HA -0.208 4.110 4.320 -0.003 0.000 0.287 665 A C 0.421 178.111 177.584 0.177 0.000 1.479 665 A CA 1.402 53.522 52.037 0.138 0.000 0.779 665 A CB -2.687 16.343 19.000 0.051 0.000 1.022 665 A HN 0.648 nan 8.150 nan 0.000 0.532 666 K N -0.463 120.083 120.400 0.244 0.000 3.050 666 K HA 0.446 4.764 4.320 -0.003 0.000 0.185 666 K C -0.833 175.841 176.600 0.123 0.000 1.147 666 K CA -0.665 55.712 56.287 0.150 0.000 0.916 666 K CB 0.210 32.767 32.500 0.095 0.000 1.119 666 K HN 0.420 nan 8.250 nan 0.000 0.605 667 L N 3.103 124.386 121.223 0.101 0.000 2.283 667 L HA 0.250 4.588 4.340 -0.003 0.000 0.287 667 L C -0.589 176.341 176.870 0.100 0.000 1.073 667 L CA 0.444 55.286 54.840 0.004 0.000 0.822 667 L CB 0.638 42.629 42.059 -0.113 0.000 1.186 667 L HN 0.340 nan 8.230 nan 0.000 0.436 668 E N 3.383 123.620 120.200 0.062 0.000 2.174 668 E HA 0.112 4.460 4.350 -0.003 0.000 0.282 668 E C -0.031 176.537 176.600 -0.053 0.000 0.992 668 E CA -0.548 55.871 56.400 0.031 0.000 0.803 668 E CB 1.151 30.851 29.700 0.000 0.000 1.090 668 E HN 0.579 nan 8.360 nan 0.000 0.396 669 D N 2.509 122.845 120.400 -0.107 0.000 2.087 669 D HA -0.211 4.427 4.640 -0.003 0.000 0.192 669 D C 1.677 177.728 176.300 -0.415 0.000 0.993 669 D CA 1.398 55.142 54.000 -0.427 0.000 0.828 669 D CB 0.062 40.724 40.800 -0.230 0.000 0.968 669 D HN 0.230 nan 8.370 nan 0.000 0.448 670 K N 0.970 121.236 120.400 -0.224 0.000 2.097 670 K HA -0.056 4.262 4.320 -0.003 0.000 0.205 670 K C 1.870 178.374 176.600 -0.161 0.000 1.050 670 K CA 0.752 56.929 56.287 -0.182 0.000 0.938 670 K CB -0.536 31.890 32.500 -0.124 0.000 0.718 670 K HN 0.022 nan 8.250 nan 0.000 0.442 671 V N 0.083 119.919 119.914 -0.130 0.000 2.295 671 V HA -0.221 3.897 4.120 -0.003 0.000 0.246 671 V C 2.308 178.335 176.094 -0.112 0.000 1.049 671 V CA 1.819 64.063 62.300 -0.094 0.000 1.024 671 V CB -0.359 31.433 31.823 -0.052 0.000 0.648 671 V HN 0.154 nan 8.190 nan 0.000 0.447 672 V N -0.509 119.315 119.914 -0.150 0.000 2.379 672 V HA -0.196 3.923 4.120 -0.003 0.000 0.245 672 V C 2.279 178.277 176.094 -0.160 0.000 1.044 672 V CA 1.713 63.937 62.300 -0.126 0.000 1.036 672 V CB -0.472 31.326 31.823 -0.042 0.000 0.664 672 V HN 0.422 nan 8.190 nan 0.000 0.453 673 L N -0.249 120.809 121.223 -0.276 0.000 2.083 673 L HA -0.184 4.154 4.340 -0.003 0.000 0.209 673 L C 2.343 179.142 176.870 -0.118 0.000 1.083 673 L CA 1.430 56.145 54.840 -0.210 0.000 0.752 673 L CB -0.645 41.258 42.059 -0.260 0.000 0.899 673 L HN 0.323 nan 8.230 nan 0.000 0.433 674 D N -0.250 120.077 120.400 -0.122 0.000 2.123 674 D HA -0.210 4.429 4.640 -0.003 0.000 0.196 674 D C 2.315 178.556 176.300 -0.097 0.000 0.992 674 D CA 1.238 55.176 54.000 -0.103 0.000 0.833 674 D CB -0.067 40.666 40.800 -0.112 0.000 0.954 674 D HN 0.395 nan 8.370 nan 0.000 0.455 675 Q N -0.156 119.590 119.800 -0.089 0.000 2.046 675 Q HA -0.038 4.300 4.340 -0.003 0.000 0.200 675 Q C 2.543 178.522 176.000 -0.035 0.000 0.975 675 Q CA 0.667 56.429 55.803 -0.068 0.000 0.836 675 Q CB -0.096 28.610 28.738 -0.053 0.000 0.896 675 Q HN 0.302 nan 8.270 nan 0.000 0.428 676 L N 0.270 121.480 121.223 -0.022 0.000 2.079 676 L HA -0.225 4.114 4.340 -0.003 0.000 0.210 676 L C 2.554 179.438 176.870 0.023 0.000 1.081 676 L CA 1.291 56.140 54.840 0.015 0.000 0.752 676 L CB -0.430 41.643 42.059 0.023 0.000 0.896 676 L HN 0.207 nan 8.230 nan 0.000 0.433 677 R N -0.115 120.385 120.500 0.001 0.000 2.061 677 R HA -0.155 4.183 4.340 -0.003 0.000 0.230 677 R C 2.560 178.877 176.300 0.030 0.000 1.140 677 R CA 1.892 58.001 56.100 0.015 0.000 0.940 677 R CB -0.644 29.653 30.300 -0.005 0.000 0.839 677 R HN 0.592 nan 8.270 nan 0.000 0.429 678 C N -0.255 119.050 119.300 0.008 0.000 2.448 678 C HA 0.109 4.567 4.460 -0.003 0.000 0.280 678 C C 1.774 176.844 174.990 0.134 0.000 1.398 678 C CA 0.068 59.125 59.018 0.065 0.000 1.774 678 C CB -1.234 26.481 27.740 -0.041 0.000 1.888 678 C HN 0.407 nan 8.230 nan 0.000 0.519 679 N N 1.222 119.945 118.700 0.040 0.000 2.459 679 N HA 0.140 4.878 4.740 -0.003 0.000 0.181 679 N C 1.411 176.849 175.510 -0.120 0.000 1.046 679 N CA 0.843 53.845 53.050 -0.079 0.000 0.904 679 N CB -0.223 38.180 38.487 -0.139 0.000 0.964 679 N HN 0.800 nan 8.380 nan 0.000 0.444 680 G N 0.684 109.515 108.800 0.051 0.000 2.182 680 G HA2 -0.233 3.725 3.960 -0.003 0.000 0.248 680 G HA3 -0.233 3.725 3.960 -0.003 0.000 0.248 680 G C 0.786 175.838 174.900 0.253 0.000 1.042 680 G CA 0.243 45.458 45.100 0.192 0.000 0.775 680 G HN 0.162 nan 8.290 nan 0.000 0.501 681 V N -0.391 119.631 119.914 0.181 0.000 2.295 681 V HA -0.165 3.953 4.120 -0.003 0.000 0.246 681 V C 2.881 179.187 176.094 0.354 0.000 1.049 681 V CA 2.383 64.882 62.300 0.331 0.000 1.024 681 V CB -0.439 31.533 31.823 0.249 0.000 0.648 681 V HN 0.407 nan 8.190 nan 0.000 0.447 682 L N -0.316 121.045 121.223 0.231 0.000 2.056 682 L HA -0.140 4.198 4.340 -0.003 0.000 0.207 682 L C 2.428 179.440 176.870 0.237 0.000 1.078 682 L CA 1.700 56.656 54.840 0.194 0.000 0.749 682 L CB -0.747 41.392 42.059 0.134 0.000 0.901 682 L HN 0.294 nan 8.230 nan 0.000 0.433 683 E N -0.403 119.945 120.200 0.247 0.000 2.085 683 E HA -0.174 4.174 4.350 -0.003 0.000 0.194 683 E C 2.281 179.084 176.600 0.337 0.000 0.994 683 E CA 1.282 57.819 56.400 0.229 0.000 0.801 683 E CB -0.712 28.983 29.700 -0.008 0.000 0.743 683 E HN 0.466 nan 8.360 nan 0.000 0.453 684 G N 0.508 109.623 108.800 0.525 0.000 2.422 684 G HA2 -0.232 3.726 3.960 -0.003 0.000 0.218 684 G HA3 -0.232 3.726 3.960 -0.003 0.000 0.218 684 G C 1.610 176.745 174.900 0.391 0.000 1.146 684 G CA 0.755 46.164 45.100 0.514 0.000 0.769 684 G HN 0.177 nan 8.290 nan 0.000 0.547 685 I N -0.109 120.649 120.570 0.315 0.000 2.252 685 I HA -0.093 4.075 4.170 -0.003 0.000 0.245 685 I C 3.022 179.235 176.117 0.161 0.000 1.102 685 I CA 0.750 62.146 61.300 0.160 0.000 1.385 685 I CB -0.154 37.913 38.000 0.112 0.000 1.064 685 I HN 0.069 nan 8.210 nan 0.000 0.414 686 R N 0.218 120.847 120.500 0.214 0.000 2.096 686 R HA -0.159 4.179 4.340 -0.003 0.000 0.235 686 R C 2.325 178.799 176.300 0.290 0.000 1.127 686 R CA 1.341 57.588 56.100 0.246 0.000 0.968 686 R CB -0.416 30.077 30.300 0.322 0.000 0.861 686 R HN 0.248 nan 8.270 nan 0.000 0.440 687 I N 0.782 121.516 120.570 0.273 0.000 2.394 687 I HA -0.212 3.956 4.170 -0.003 0.000 0.251 687 I C 1.673 177.891 176.117 0.167 0.000 1.136 687 I CA 1.695 63.155 61.300 0.267 0.000 1.425 687 I CB -0.147 37.892 38.000 0.065 0.000 1.079 687 I HN 0.056 nan 8.210 nan 0.000 0.425 688 T N 0.338 114.958 114.554 0.110 0.000 2.746 688 T HA -0.160 4.188 4.350 -0.003 0.000 0.267 688 T C 2.080 176.799 174.700 0.032 0.000 1.039 688 T CA 1.584 63.718 62.100 0.056 0.000 1.142 688 T CB -0.193 68.701 68.868 0.043 0.000 0.866 688 T HN 0.334 nan 8.240 nan 0.000 0.444 689 R N 0.681 121.213 120.500 0.054 0.000 2.073 689 R HA 0.097 4.435 4.340 -0.003 0.000 0.229 689 R C 2.400 178.702 176.300 0.003 0.000 1.120 689 R CA 1.044 57.158 56.100 0.024 0.000 0.967 689 R CB -0.005 30.323 30.300 0.047 0.000 0.862 689 R HN 0.255 nan 8.270 nan 0.000 0.436 690 K N -0.504 119.950 120.400 0.090 0.000 2.400 690 K HA 0.088 4.406 4.320 -0.003 0.000 0.194 690 K C 0.935 177.607 176.600 0.120 0.000 1.033 690 K CA 0.451 56.819 56.287 0.135 0.000 1.021 690 K CB 0.853 33.512 32.500 0.265 0.000 0.808 690 K HN 0.174 nan 8.250 nan 0.000 0.505 691 G N -0.261 108.518 108.800 -0.036 0.000 3.008 691 G HA2 0.484 4.442 3.960 -0.003 0.000 0.181 691 G HA3 0.484 4.442 3.960 -0.003 0.000 0.181 691 G C -0.939 173.506 174.900 -0.758 0.000 1.309 691 G CA -0.596 44.323 45.100 -0.302 0.000 1.009 691 G HN 0.070 nan 8.290 nan 0.000 0.584 692 F N -0.060 119.844 119.950 -0.077 0.000 2.872 692 F HA 0.357 4.882 4.527 -0.003 0.000 0.365 692 F C -1.921 173.971 175.800 0.154 0.000 1.296 692 F CA -1.164 56.822 58.000 -0.024 0.000 1.199 692 F CB 2.476 41.356 39.000 -0.200 0.000 1.687 692 F HN 0.167 nan 8.300 nan 0.000 0.604 693 P HA -0.121 nan 4.420 nan 0.000 0.219 693 P C -0.375 176.971 177.300 0.076 0.000 1.146 693 P CA 1.413 64.583 63.100 0.117 0.000 0.808 693 P CB 0.230 31.955 31.700 0.043 0.000 0.779 694 N N 0.800 119.537 118.700 0.062 0.000 2.314 694 N HA 0.289 5.028 4.740 -0.003 0.000 0.294 694 N C -0.334 175.064 175.510 -0.187 0.000 1.029 694 N CA -0.463 52.556 53.050 -0.052 0.000 0.845 694 N CB 2.147 40.611 38.487 -0.039 0.000 1.321 694 N HN 0.023 nan 8.380 nan 0.000 0.481 695 R N -0.464 119.831 120.500 -0.341 0.000 2.643 695 R HA 0.627 4.965 4.340 -0.003 0.000 0.269 695 R C -1.725 174.301 176.300 -0.456 0.000 1.037 695 R CA -0.609 55.117 56.100 -0.623 0.000 0.894 695 R CB 0.439 29.848 30.300 -1.485 0.000 1.238 695 R HN 0.230 nan 8.270 nan 0.000 0.459 696 I N 0.530 120.835 120.570 -0.442 0.000 2.571 696 I HA 0.527 4.696 4.170 -0.003 0.000 0.289 696 I C 1.193 177.105 176.117 -0.341 0.000 1.115 696 I CA -1.119 59.999 61.300 -0.303 0.000 1.045 696 I CB 1.158 39.036 38.000 -0.204 0.000 1.238 696 I HN 0.812 nan 8.210 nan 0.000 0.424 697 I N 3.694 124.117 120.570 -0.246 0.000 2.826 697 I HA 0.413 4.581 4.170 -0.003 0.000 0.295 697 I C 0.552 176.586 176.117 -0.140 0.000 1.213 697 I CA 0.278 61.454 61.300 -0.207 0.000 1.436 697 I CB -1.056 36.890 38.000 -0.090 0.000 1.348 697 I HN 0.673 nan 8.210 nan 0.000 0.570 737 Y N -0.651 119.765 120.300 0.194 0.000 2.713 737 Y HA 0.918 5.466 4.550 -0.003 0.000 0.335 737 Y C -1.035 174.857 175.900 -0.013 0.000 1.222 737 Y CA -1.088 57.075 58.100 0.104 0.000 1.061 737 Y CB 1.009 nan 38.460 nan 0.000 1.314 737 Y HN 0.383 nan 8.280 nan 0.000 0.453 738 R N 0.207 120.592 120.500 -0.191 0.000 2.752 738 R HA 0.701 5.039 4.340 -0.003 0.000 0.271 738 R C -2.368 173.760 176.300 -0.286 0.000 1.026 738 R CA -1.164 54.785 56.100 -0.251 0.000 0.901 738 R CB 1.629 31.613 30.300 -0.527 0.000 1.243 738 R HN 0.800 nan 8.270 nan 0.000 0.463 739 F N 0.056 120.011 119.950 0.010 0.000 2.403 739 F HA 0.518 5.043 4.527 -0.003 0.000 0.355 739 F C 1.070 176.949 175.800 0.133 0.000 1.119 739 F CA -0.368 57.725 58.000 0.156 0.000 1.007 739 F CB 2.084 41.161 39.000 0.130 0.000 1.194 739 F HN 0.593 nan 8.300 nan 0.000 0.443 740 G N 1.304 110.325 108.800 0.367 0.000 2.522 740 G HA2 0.465 4.423 3.960 -0.003 0.000 0.304 740 G HA3 0.465 4.423 3.960 -0.003 0.000 0.304 740 G C 1.030 176.138 174.900 0.347 0.000 1.210 740 G CA -0.144 45.116 45.100 0.267 0.000 0.960 740 G HN 0.718 nan 8.290 nan 0.000 0.497 741 I N -0.725 119.985 120.570 0.232 0.000 2.567 741 I HA 0.083 4.251 4.170 -0.003 0.000 0.257 741 I C 2.300 178.584 176.117 0.279 0.000 1.184 741 I CA 2.646 64.075 61.300 0.216 0.000 1.451 741 I CB -1.160 36.919 38.000 0.132 0.000 1.089 741 I HN 0.819 nan 8.210 nan 0.000 0.441 742 T N -4.794 109.906 114.554 0.244 0.000 3.130 742 T HA 0.376 4.725 4.350 -0.003 0.000 0.288 742 T C 0.235 174.785 174.700 -0.249 0.000 0.936 742 T CA 0.009 62.207 62.100 0.162 0.000 0.897 742 T CB 0.030 68.946 68.868 0.081 0.000 1.178 742 T HN 0.603 nan 8.240 nan 0.000 0.543 743 K N 0.627 120.748 120.400 -0.466 0.000 2.527 743 K HA 0.550 4.868 4.320 -0.003 0.000 0.260 743 K C -1.619 174.584 176.600 -0.661 0.000 0.937 743 K CA -0.896 54.920 56.287 -0.784 0.000 0.826 743 K CB 2.727 34.954 32.500 -0.454 0.000 1.359 743 K HN 0.098 nan 8.250 nan 0.000 0.434 744 I N 2.835 123.000 120.570 -0.674 0.000 2.395 744 I HA 0.322 4.491 4.170 -0.003 0.000 0.289 744 I C -1.159 174.807 176.117 -0.252 0.000 1.023 744 I CA -0.237 60.895 61.300 -0.280 0.000 1.350 744 I CB 0.315 38.185 38.000 -0.217 0.000 1.409 744 I HN 0.470 nan 8.210 nan 0.000 0.507 745 F N 7.253 127.043 119.950 -0.267 0.000 2.538 745 F HA 0.762 5.287 4.527 -0.003 0.000 0.325 745 F C 0.470 176.213 175.800 -0.096 0.000 1.066 745 F CA -0.080 57.816 58.000 -0.172 0.000 0.946 745 F CB 1.557 40.404 39.000 -0.255 0.000 1.199 745 F HN 0.396 nan 8.300 nan 0.000 0.473 746 F N 0.096 120.181 119.950 0.225 0.000 3.523 746 F HA 0.880 5.405 4.527 -0.003 0.000 0.328 746 F C -1.174 174.755 175.800 0.214 0.000 1.181 746 F CA -1.392 56.736 58.000 0.214 0.000 0.901 746 F CB 1.229 nan 39.000 nan 0.000 1.586 746 F HN 0.440 nan 8.300 nan 0.000 0.520 747 R N 0.000 120.562 120.500 0.103 0.000 2.786 747 R HA 0.000 4.338 4.340 -0.003 0.000 0.208 747 R CA 0.000 56.122 56.100 0.036 0.000 0.921 747 R CB 0.000 30.287 30.300 -0.021 0.000 0.687 747 R HN 0.000 nan 8.270 nan 0.000 0.535