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 2v5y_1_A DATA FIRST_RESID 2 DATA SEQUENCE TFSGGcLFDE PYSTcGYSQS EGDDFNWEQV NTLTKPTSDP WMPSGSFMLV DATA SEQUENCE NASGRPEGQR AHLLLPQLKE NDTHcIDFHY FVSSKSNSPP GLLNVYVKVN DATA SEQUENCE NGPLGNPIWN ISGDPTRTWN RAELAISTFW PNFYQVIFEV ITSGHQGYLA DATA SEQUENCE IDEVKVLGHP cTRTPHFLRI QNVEVNAGQF ATFQcSAIGR TVAGDRLWLQ DATA SEQUENCE GIDVRDAPLK EIKVTSSRRF IASFNVVNTT KRDAGKYRcM IRTEGGVGIS DATA SEQUENCE NYAELVVKEP PVPIAPPQLA SVGATYLWIQ LNANSINGDG PIVAREVEYC DATA SEQUENCE TASGSWNDRQ PVDSTSYKIG HLDPDTEYEI SVLLTRPGEG GTGSPGPALR DATA SEQUENCE TRTKcADPMR GPRKLEVVEV KSRQITIRWE PFGYNVTRcH SYNLTVHYCY DATA SEQUENCE QVGGQEQVRE EVSWDTENSH PQHTITNLSP YTNVSVKLIL MNPEGRKESQ DATA SEQUENCE ELIVQTDEDL PGAVPTESIQ GSTFEEKIFL QWREPTQTYG VITLYEITYK DATA SEQUENCE AVSSFDXXXD LSNQSGRVSK LGNETHFLFF GLYPGTTYSF TIRASTAKGF DATA SEQUENCE GPPATNQFTT KISAPSM 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 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.705 174.700 0.009 0.000 1.109 2 T CA 0.000 62.123 62.100 0.039 0.000 1.349 2 T CB 0.000 68.857 68.868 -0.019 0.000 0.612 3 F N 2.415 122.362 119.950 -0.005 0.000 2.848 3 F HA 0.601 5.128 4.527 0.000 0.000 0.321 3 F C 0.837 176.630 175.800 -0.012 0.000 1.281 3 F CA -0.409 57.582 58.000 -0.014 0.000 1.209 3 F CB 0.544 39.547 39.000 0.006 0.000 1.152 3 F HN 0.225 nan 8.300 nan 0.000 0.521 4 S N -0.664 115.091 115.700 0.092 0.000 2.646 4 S HA 0.661 5.131 4.470 0.000 0.000 0.273 4 S C 1.106 175.747 174.600 0.069 0.000 1.168 4 S CA 0.443 58.691 58.200 0.081 0.000 1.013 4 S CB 1.009 64.231 63.200 0.037 0.000 1.098 4 S HN 0.690 nan 8.310 nan 0.000 0.544 5 G N -0.961 107.892 108.800 0.088 0.000 2.296 5 G HA2 -0.059 3.901 3.960 0.000 0.000 0.188 5 G HA3 -0.059 3.901 3.960 0.000 0.000 0.188 5 G C 0.374 175.412 174.900 0.231 0.000 1.000 5 G CA 0.008 45.185 45.100 0.128 0.000 0.672 5 G HN 1.019 nan 8.290 nan 0.000 0.483 6 G N -1.115 107.782 108.800 0.161 0.000 2.588 6 G HA2 0.492 4.452 3.960 0.000 0.000 0.278 6 G HA3 0.492 4.452 3.960 0.000 0.000 0.278 6 G C -0.167 174.708 174.900 -0.042 0.000 1.307 6 G CA 0.368 45.546 45.100 0.130 0.000 1.016 6 G HN 1.375 nan 8.290 nan 0.000 0.503 7 c N -0.166 118.272 118.600 -0.269 0.000 3.050 7 c HA 0.316 4.886 4.570 0.000 0.000 0.416 7 c C 0.903 174.460 174.090 -0.888 0.000 0.994 7 c CA -0.701 55.162 56.329 -0.777 0.000 1.222 7 c CB -0.199 41.384 42.510 -1.546 0.000 1.612 7 c HN 0.674 nan 8.230 nan 0.000 0.550 8 L N 4.191 125.079 121.223 -0.559 0.000 2.529 8 L HA 0.328 4.668 4.340 0.000 0.000 0.223 8 L C 0.905 177.703 176.870 -0.119 0.000 1.113 8 L CA 0.592 55.271 54.840 -0.268 0.000 0.861 8 L CB -0.226 41.750 42.059 -0.139 0.000 1.012 8 L HN 0.854 nan 8.230 nan 0.000 0.461 9 F N -1.004 118.895 119.950 -0.085 0.000 2.988 9 F HA -0.315 4.212 4.527 0.000 0.000 0.287 9 F C 1.146 176.902 175.800 -0.073 0.000 0.781 9 F CA 0.496 58.456 58.000 -0.065 0.000 1.221 9 F CB -1.972 37.015 39.000 -0.022 0.000 1.392 9 F HN 0.223 nan 8.300 nan 0.000 0.425 10 D N 0.368 120.773 120.400 0.007 0.000 2.110 10 D HA -0.037 4.603 4.640 0.000 0.000 0.202 10 D C 1.246 177.529 176.300 -0.028 0.000 0.975 10 D CA 0.993 54.980 54.000 -0.021 0.000 0.839 10 D CB 0.007 40.780 40.800 -0.045 0.000 0.996 10 D HN 0.304 nan 8.370 nan 0.000 0.464 11 E N 1.493 121.662 120.200 -0.051 0.000 2.392 11 E HA 0.205 4.555 4.350 0.000 0.000 0.259 11 E C -2.192 174.383 176.600 -0.041 0.000 1.108 11 E CA -1.875 54.491 56.400 -0.057 0.000 0.916 11 E CB -0.218 29.434 29.700 -0.079 0.000 0.989 11 E HN 0.009 nan 8.360 nan 0.000 0.432 12 P HA -0.057 nan 4.420 nan 0.000 0.267 12 P C 0.345 177.576 177.300 -0.115 0.000 1.200 12 P CA 0.271 63.304 63.100 -0.111 0.000 0.772 12 P CB 0.046 31.641 31.700 -0.176 0.000 0.855 13 Y N 0.160 120.480 120.300 0.033 0.000 2.421 13 Y HA -0.150 4.400 4.550 0.000 0.000 0.292 13 Y C 1.791 177.687 175.900 -0.006 0.000 1.136 13 Y CA 1.155 59.234 58.100 -0.035 0.000 1.255 13 Y CB -1.950 36.583 38.460 0.120 0.000 0.991 13 Y HN 0.163 nan 8.280 nan 0.000 0.552 14 S N 0.280 115.867 115.700 -0.187 0.000 2.380 14 S HA -0.280 4.190 4.470 0.000 0.000 0.229 14 S C 1.860 176.470 174.600 0.017 0.000 1.043 14 S CA 2.061 60.240 58.200 -0.034 0.000 1.038 14 S CB -1.162 61.955 63.200 -0.138 0.000 0.872 14 S HN 0.690 nan 8.310 nan 0.000 0.456 15 T N 1.413 115.941 114.554 -0.043 0.000 2.737 15 T HA -0.148 4.202 4.350 0.000 0.000 0.269 15 T C 1.820 176.510 174.700 -0.016 0.000 1.040 15 T CA 1.508 63.585 62.100 -0.038 0.000 1.142 15 T CB -0.751 68.076 68.868 -0.068 0.000 0.861 15 T HN 0.531 nan 8.240 nan 0.000 0.456 16 c N 0.759 119.340 118.600 -0.031 0.000 2.562 16 c HA 0.503 5.073 4.570 0.000 0.000 0.266 16 c C 2.190 176.443 174.090 0.271 0.000 1.382 16 c CA -0.282 56.044 56.329 -0.006 0.000 1.742 16 c CB -1.287 40.979 42.510 -0.406 0.000 1.812 16 c HN 0.831 nan 8.230 nan 0.000 0.559 17 G N -0.943 108.021 108.800 0.274 0.000 2.144 17 G HA2 -0.207 3.753 3.960 0.000 0.000 0.218 17 G HA3 -0.207 3.753 3.960 0.000 0.000 0.218 17 G C -0.262 174.842 174.900 0.340 0.000 0.988 17 G CA -0.319 44.933 45.100 0.253 0.000 0.659 17 G HN 0.425 nan 8.290 nan 0.000 0.522 18 Y N 1.377 121.767 120.300 0.149 0.000 2.354 18 Y HA 0.705 5.256 4.550 0.000 0.000 0.322 18 Y C 0.994 177.042 175.900 0.247 0.000 1.253 18 Y CA -0.815 57.395 58.100 0.183 0.000 1.272 18 Y CB 1.897 40.491 38.460 0.224 0.000 1.255 18 Y HN 0.525 nan 8.280 nan 0.000 0.500 19 S N 0.329 116.191 115.700 0.271 0.000 2.643 19 S HA 0.539 5.010 4.470 0.000 0.000 0.270 19 S C -1.679 172.995 174.600 0.123 0.000 1.166 19 S CA -1.383 56.955 58.200 0.231 0.000 0.815 19 S CB 2.259 65.550 63.200 0.151 0.000 1.139 19 S HN 0.472 nan 8.310 nan 0.000 0.472 20 Q N 0.788 120.672 119.800 0.140 0.000 2.333 20 Q HA 0.461 4.801 4.340 0.000 0.000 0.267 20 Q C -0.950 175.103 176.000 0.089 0.000 1.012 20 Q CA -0.474 55.397 55.803 0.113 0.000 0.824 20 Q CB 2.083 30.913 28.738 0.152 0.000 1.290 20 Q HN 0.723 nan 8.270 nan 0.000 0.449 21 S N 2.725 118.470 115.700 0.076 0.000 3.455 21 S HA -0.006 4.465 4.470 0.000 0.000 0.288 21 S C 0.926 175.525 174.600 -0.002 0.000 1.231 21 S CA -0.205 58.005 58.200 0.017 0.000 1.031 21 S CB -0.121 63.056 63.200 -0.038 0.000 1.570 21 S HN 0.351 nan 8.310 nan 0.000 0.519 22 E N 2.861 123.075 120.200 0.024 0.000 2.510 22 E HA -0.085 4.265 4.350 0.000 0.000 0.202 22 E C 1.504 178.108 176.600 0.006 0.000 1.072 22 E CA 0.499 56.918 56.400 0.031 0.000 0.883 22 E CB -0.231 29.497 29.700 0.046 0.000 0.818 22 E HN 0.758 nan 8.360 nan 0.000 0.548 23 G N 1.958 110.742 108.800 -0.027 0.000 3.383 23 G HA2 -0.021 3.940 3.960 0.000 0.000 0.251 23 G HA3 -0.021 3.940 3.960 0.000 0.000 0.251 23 G C 0.227 175.084 174.900 -0.073 0.000 1.203 23 G CA -0.102 44.973 45.100 -0.042 0.000 0.852 23 G HN 0.209 nan 8.290 nan 0.000 0.531 24 D N -0.736 119.618 120.400 -0.077 0.000 2.538 24 D HA 0.261 4.901 4.640 0.000 0.000 0.262 24 D C 0.354 176.657 176.300 0.006 0.000 1.186 24 D CA -0.442 53.507 54.000 -0.086 0.000 1.090 24 D CB 0.260 40.956 40.800 -0.174 0.000 1.187 24 D HN -0.104 nan 8.370 nan 0.000 0.614 25 D N -1.816 118.615 120.400 0.052 0.000 2.290 25 D HA 0.198 4.838 4.640 0.000 0.000 0.224 25 D C 0.165 176.627 176.300 0.269 0.000 0.967 25 D CA 0.786 54.881 54.000 0.159 0.000 0.893 25 D CB 0.010 40.951 40.800 0.234 0.000 1.037 25 D HN 0.471 nan 8.370 nan 0.000 0.477 26 F N -1.257 118.728 119.950 0.058 0.000 2.824 26 F HA 0.653 5.180 4.527 0.000 0.000 0.330 26 F C -1.064 174.800 175.800 0.107 0.000 1.175 26 F CA -1.424 56.614 58.000 0.063 0.000 0.974 26 F CB 1.052 40.072 39.000 0.033 0.000 1.430 26 F HN -0.410 nan 8.300 nan 0.000 0.507 27 N N -0.386 118.415 118.700 0.169 0.000 2.384 27 N HA 0.316 5.057 4.740 0.000 0.000 0.301 27 N C -1.633 173.991 175.510 0.189 0.000 1.133 27 N CA -0.486 52.647 53.050 0.138 0.000 0.853 27 N CB 1.050 39.665 38.487 0.213 0.000 1.241 27 N HN 0.629 nan 8.380 nan 0.000 0.502 28 W N 0.654 121.946 121.300 -0.013 0.000 2.137 28 W HA 0.199 4.859 4.660 0.000 0.000 0.344 28 W C 1.201 177.775 176.519 0.092 0.000 1.286 28 W CA 0.020 57.382 57.345 0.028 0.000 1.240 28 W CB 0.286 29.701 29.460 -0.075 0.000 1.141 28 W HN 0.314 nan 8.180 nan 0.000 0.579 29 E N 1.049 121.462 120.200 0.356 0.000 2.227 29 E HA 0.190 4.540 4.350 0.000 0.000 0.268 29 E C -1.090 175.678 176.600 0.280 0.000 0.990 29 E CA -0.737 55.837 56.400 0.289 0.000 0.856 29 E CB 1.358 31.199 29.700 0.235 0.000 1.159 29 E HN 0.453 nan 8.360 nan 0.000 0.401 30 Q N 2.232 122.191 119.800 0.265 0.000 2.333 30 Q HA 0.483 4.823 4.340 0.000 0.000 0.267 30 Q C -1.691 174.366 176.000 0.095 0.000 1.012 30 Q CA -0.748 55.181 55.803 0.210 0.000 0.824 30 Q CB 1.863 30.803 28.738 0.338 0.000 1.290 30 Q HN 0.315 nan 8.270 nan 0.000 0.449 31 V N 3.508 123.404 119.914 -0.030 0.000 2.876 31 V HA 0.492 4.612 4.120 0.000 0.000 0.312 31 V C -0.800 175.083 176.094 -0.351 0.000 1.085 31 V CA -0.896 61.303 62.300 -0.167 0.000 0.945 31 V CB 2.279 34.000 31.823 -0.170 0.000 1.017 31 V HN 0.769 nan 8.190 nan 0.000 0.428 32 N N 1.202 119.747 118.700 -0.259 0.000 2.577 32 N HA 0.214 4.955 4.740 0.000 0.000 0.275 32 N C 0.668 176.065 175.510 -0.188 0.000 1.091 32 N CA 0.144 53.036 53.050 -0.263 0.000 0.843 32 N CB 2.135 40.534 38.487 -0.146 0.000 1.295 32 N HN 0.795 nan 8.380 nan 0.000 0.530 33 T N 0.294 114.719 114.554 -0.214 0.000 3.023 33 T HA 0.061 4.412 4.350 0.000 0.000 0.266 33 T C 1.474 176.145 174.700 -0.049 0.000 1.093 33 T CA 0.652 62.703 62.100 -0.083 0.000 1.129 33 T CB 0.122 68.990 68.868 -0.001 0.000 0.899 33 T HN 0.413 nan 8.240 nan 0.000 0.491 34 L N 2.213 123.399 121.223 -0.062 0.000 2.783 34 L HA 0.314 4.654 4.340 0.000 0.000 0.236 34 L C 2.082 178.928 176.870 -0.040 0.000 1.225 34 L CA 0.331 55.147 54.840 -0.039 0.000 1.026 34 L CB -0.341 41.698 42.059 -0.035 0.000 1.314 34 L HN 0.502 nan 8.230 nan 0.000 0.489 35 T N -4.878 109.649 114.554 -0.045 0.000 3.250 35 T HA 0.037 4.388 4.350 0.000 0.000 0.265 35 T C 0.807 175.491 174.700 -0.026 0.000 0.973 35 T CA -0.264 61.815 62.100 -0.034 0.000 1.040 35 T CB 0.275 69.120 68.868 -0.038 0.000 1.167 35 T HN -0.009 nan 8.240 nan 0.000 0.471 36 K N 3.379 123.761 120.400 -0.030 0.000 2.354 36 K HA 0.468 4.788 4.320 0.000 0.000 0.257 36 K C -2.799 173.792 176.600 -0.015 0.000 1.062 36 K CA -2.350 53.926 56.287 -0.018 0.000 0.971 36 K CB 1.083 33.575 32.500 -0.014 0.000 1.305 36 K HN 0.210 nan 8.250 nan 0.000 0.449 37 P HA 0.128 nan 4.420 nan 0.000 0.274 37 P C -0.770 176.534 177.300 0.006 0.000 1.260 37 P CA -0.431 62.668 63.100 -0.002 0.000 0.793 37 P CB 0.936 32.635 31.700 -0.002 0.000 1.048 38 T N -1.404 113.155 114.554 0.009 0.000 2.956 38 T HA 0.279 4.630 4.350 0.000 0.000 0.312 38 T C 0.775 175.478 174.700 0.005 0.000 1.151 38 T CA -0.344 61.764 62.100 0.014 0.000 1.024 38 T CB 0.561 69.443 68.868 0.023 0.000 1.140 38 T HN 0.114 nan 8.240 nan 0.000 0.473 39 S N 2.206 117.909 115.700 0.005 0.000 2.461 39 S HA 0.035 4.505 4.470 0.000 0.000 0.228 39 S C 0.712 175.287 174.600 -0.041 0.000 1.005 39 S CA 0.115 58.306 58.200 -0.016 0.000 0.942 39 S CB -0.117 63.079 63.200 -0.007 0.000 0.776 39 S HN 0.764 nan 8.310 nan 0.000 0.514 40 D N 2.155 122.554 120.400 -0.001 0.000 2.502 40 D HA 0.003 4.643 4.640 0.000 0.000 0.249 40 D C -1.735 174.502 176.300 -0.105 0.000 1.188 40 D CA -1.002 53.008 54.000 0.016 0.000 0.890 40 D CB 1.119 42.010 40.800 0.153 0.000 1.140 40 D HN 0.103 nan 8.370 nan 0.000 0.505 41 P HA -0.055 nan 4.420 nan 0.000 0.220 41 P C 0.781 177.852 177.300 -0.383 0.000 1.148 41 P CA 0.770 63.537 63.100 -0.556 0.000 0.803 41 P CB 0.161 31.217 31.700 -1.073 0.000 0.782 42 W N -1.222 120.186 121.300 0.180 0.000 3.305 42 W HA 0.459 5.119 4.660 0.000 0.000 0.392 42 W C 0.192 176.850 176.519 0.232 0.000 1.121 42 W CA -0.338 57.156 57.345 0.249 0.000 1.909 42 W CB -0.759 28.889 29.460 0.312 0.000 1.065 42 W HN 0.042 nan 8.180 nan 0.000 0.714 43 M N 2.319 122.019 119.600 0.166 0.000 2.311 43 M HA 0.375 4.856 4.480 0.000 0.000 0.325 43 M C -2.231 174.020 176.300 -0.082 0.000 1.061 43 M CA -1.762 53.507 55.300 -0.051 0.000 0.957 43 M CB 2.167 34.709 32.600 -0.097 0.000 1.646 43 M HN -0.332 nan 8.290 nan 0.000 0.434 44 P HA 0.356 nan 4.420 nan 0.000 0.280 44 P C -1.041 176.349 177.300 0.149 0.000 1.272 44 P CA -0.595 62.382 63.100 -0.206 0.000 0.819 44 P CB 1.300 32.583 31.700 -0.695 0.000 1.122 45 S N -1.211 114.605 115.700 0.193 0.000 2.601 45 S HA 0.643 5.113 4.470 0.000 0.000 0.271 45 S C 0.332 175.108 174.600 0.292 0.000 1.305 45 S CA 0.884 59.205 58.200 0.202 0.000 1.022 45 S CB -0.480 62.780 63.200 0.099 0.000 0.940 45 S HN 0.995 nan 8.310 nan 0.000 0.525 46 G N 1.678 110.558 108.800 0.133 0.000 2.337 46 G HA2 0.031 3.991 3.960 0.000 0.000 0.197 46 G HA3 0.031 3.991 3.960 0.000 0.000 0.197 46 G C -0.759 173.976 174.900 -0.275 0.000 1.238 46 G CA -0.207 44.901 45.100 0.013 0.000 1.119 46 G HN 1.685 nan 8.290 nan 0.000 0.514 47 S N -0.025 115.540 115.700 -0.224 0.000 2.707 47 S HA 0.884 5.355 4.470 0.000 0.000 0.312 47 S C -0.564 173.973 174.600 -0.106 0.000 1.116 47 S CA 0.060 58.073 58.200 -0.312 0.000 1.078 47 S CB 0.969 64.114 63.200 -0.092 0.000 0.997 47 S HN 1.997 nan 8.310 nan 0.000 0.477 48 F N -0.655 119.328 119.950 0.055 0.000 2.789 48 F HA 0.731 5.259 4.527 0.000 0.000 0.319 48 F C -1.083 174.572 175.800 -0.242 0.000 1.168 48 F CA -1.671 56.280 58.000 -0.082 0.000 0.934 48 F CB 0.872 39.932 39.000 0.100 0.000 1.375 48 F HN 0.280 nan 8.300 nan 0.000 0.480 49 M N 2.573 122.079 119.600 -0.157 0.000 2.180 49 M HA 0.490 4.970 4.480 0.000 0.000 0.350 49 M C -1.297 175.247 176.300 0.407 0.000 1.125 49 M CA -0.497 54.789 55.300 -0.022 0.000 1.031 49 M CB 1.382 33.733 32.600 -0.416 0.000 1.623 49 M HN 0.701 nan 8.290 nan 0.000 0.451 50 L N 4.078 125.555 121.223 0.424 0.000 2.334 50 L HA 0.696 5.037 4.340 0.000 0.000 0.273 50 L C -0.994 175.969 176.870 0.155 0.000 1.013 50 L CA -0.530 54.501 54.840 0.318 0.000 0.816 50 L CB 1.968 44.201 42.059 0.289 0.000 1.278 50 L HN 0.459 nan 8.230 nan 0.000 0.431 51 V N 3.846 123.720 119.914 -0.065 0.000 2.378 51 V HA 0.385 4.506 4.120 0.000 0.000 0.288 51 V C -0.489 175.662 176.094 0.095 0.000 1.016 51 V CA -0.716 61.497 62.300 -0.144 0.000 0.840 51 V CB 1.431 32.925 31.823 -0.548 0.000 0.994 51 V HN 0.772 nan 8.190 nan 0.000 0.431 52 N N 4.134 122.931 118.700 0.161 0.000 2.645 52 N HA 0.348 5.088 4.740 0.000 0.000 0.233 52 N C 0.818 176.297 175.510 -0.052 0.000 1.058 52 N CA 0.061 53.212 53.050 0.167 0.000 0.942 52 N CB 1.516 40.140 38.487 0.228 0.000 1.210 52 N HN 0.737 nan 8.380 nan 0.000 0.512 53 A N 2.014 124.775 122.820 -0.098 0.000 2.239 53 A HA 0.060 4.380 4.320 0.000 0.000 0.209 53 A C 0.580 178.038 177.584 -0.210 0.000 1.171 53 A CA 0.017 51.951 52.037 -0.171 0.000 0.768 53 A CB -0.328 18.603 19.000 -0.116 0.000 0.790 53 A HN 0.527 nan 8.150 nan 0.000 0.478 54 S N -0.315 115.251 115.700 -0.224 0.000 2.510 54 S HA 0.428 4.898 4.470 0.000 0.000 0.279 54 S C 1.367 175.869 174.600 -0.163 0.000 1.284 54 S CA 0.378 58.449 58.200 -0.215 0.000 1.059 54 S CB 0.740 63.791 63.200 -0.249 0.000 0.901 54 S HN 1.459 nan 8.310 nan 0.000 0.491 55 G N 2.984 111.699 108.800 -0.142 0.000 2.179 55 G HA2 -0.243 3.717 3.960 0.000 0.000 0.260 55 G HA3 -0.243 3.717 3.960 0.000 0.000 0.260 55 G C 0.001 174.816 174.900 -0.142 0.000 0.977 55 G CA -0.264 44.765 45.100 -0.118 0.000 0.641 55 G HN 0.646 nan 8.290 nan 0.000 0.533 56 R N 0.760 121.150 120.500 -0.183 0.000 2.428 56 R HA 0.503 4.843 4.340 0.000 0.000 0.294 56 R C -2.454 173.750 176.300 -0.159 0.000 1.000 56 R CA -1.681 54.289 56.100 -0.217 0.000 0.960 56 R CB 1.226 31.320 30.300 -0.343 0.000 1.076 56 R HN 0.138 nan 8.270 nan 0.000 0.475 57 P HA 0.018 nan 4.420 nan 0.000 0.276 57 P C -0.528 176.712 177.300 -0.101 0.000 1.261 57 P CA -0.546 62.493 63.100 -0.102 0.000 0.800 57 P CB 0.537 32.195 31.700 -0.071 0.000 1.066 58 E N 0.068 120.204 120.200 -0.106 0.000 2.398 58 E HA 0.209 4.559 4.350 0.000 0.000 0.263 58 E C 1.087 177.661 176.600 -0.044 0.000 1.046 58 E CA 1.001 57.340 56.400 -0.101 0.000 0.908 58 E CB 0.073 29.699 29.700 -0.123 0.000 0.963 58 E HN 0.754 nan 8.360 nan 0.000 0.431 59 G N 3.567 112.356 108.800 -0.018 0.000 2.336 59 G HA2 -0.278 3.682 3.960 0.000 0.000 0.233 59 G HA3 -0.278 3.682 3.960 0.000 0.000 0.233 59 G C 0.196 175.134 174.900 0.064 0.000 1.053 59 G CA 0.230 45.342 45.100 0.019 0.000 0.625 59 G HN 0.572 nan 8.290 nan 0.000 0.511 60 Q N 1.544 121.392 119.800 0.080 0.000 2.300 60 Q HA 0.328 4.668 4.340 0.000 0.000 0.280 60 Q C 0.756 176.929 176.000 0.289 0.000 1.033 60 Q CA 0.676 56.584 55.803 0.175 0.000 0.903 60 Q CB 0.399 29.229 28.738 0.153 0.000 1.195 60 Q HN 0.794 nan 8.270 nan 0.000 0.386 61 R N 0.223 120.875 120.500 0.254 0.000 2.750 61 R HA 0.844 5.184 4.340 0.000 0.000 0.281 61 R C -1.548 174.724 176.300 -0.047 0.000 0.972 61 R CA -0.918 55.280 56.100 0.164 0.000 0.912 61 R CB 1.542 31.963 30.300 0.202 0.000 1.187 61 R HN 0.452 nan 8.270 nan 0.000 0.464 62 A N 2.449 125.125 122.820 -0.240 0.000 2.393 62 A HA 0.516 4.836 4.320 0.000 0.000 0.306 62 A C -1.314 176.418 177.584 0.247 0.000 1.050 62 A CA -0.776 51.051 52.037 -0.350 0.000 0.724 62 A CB 1.257 19.477 19.000 -1.301 0.000 1.248 62 A HN 0.858 nan 8.150 nan 0.000 0.424 63 H N 1.155 120.316 119.070 0.152 0.000 2.524 63 H HA 0.611 5.167 4.556 0.000 0.000 0.353 63 H C -1.566 173.852 175.328 0.150 0.000 1.136 63 H CA -0.699 55.480 56.048 0.218 0.000 1.193 63 H CB 2.236 32.041 29.762 0.072 0.000 1.558 63 H HN 0.500 nan 8.280 nan 0.000 0.515 64 L N 3.978 125.234 121.223 0.054 0.000 2.491 64 L HA 0.320 4.660 4.340 0.000 0.000 0.267 64 L C -1.960 174.834 176.870 -0.127 0.000 0.971 64 L CA -0.515 54.175 54.840 -0.250 0.000 0.857 64 L CB 1.053 42.495 42.059 -1.029 0.000 1.226 64 L HN 0.377 nan 8.230 nan 0.000 0.408 65 L N 5.232 126.396 121.223 -0.099 0.000 2.307 65 L HA 0.548 4.888 4.340 0.000 0.000 0.284 65 L C 0.024 176.699 176.870 -0.325 0.000 1.023 65 L CA -0.361 54.402 54.840 -0.128 0.000 0.810 65 L CB 1.353 43.383 42.059 -0.050 0.000 1.231 65 L HN 0.492 nan 8.230 nan 0.000 0.423 66 L N 5.062 126.019 121.223 -0.444 0.000 2.474 66 L HA 0.330 4.670 4.340 0.000 0.000 0.259 66 L C -1.787 174.887 176.870 -0.327 0.000 1.232 66 L CA -0.779 53.645 54.840 -0.693 0.000 0.821 66 L CB -0.231 41.569 42.059 -0.430 0.000 1.108 66 L HN 0.477 nan 8.230 nan 0.000 0.495 67 P HA 0.066 nan 4.420 nan 0.000 0.275 67 P C -1.501 175.738 177.300 -0.102 0.000 1.266 67 P CA -0.598 62.445 63.100 -0.094 0.000 0.793 67 P CB 0.385 32.066 31.700 -0.032 0.000 1.074 68 Q N 0.247 120.009 119.800 -0.063 0.000 2.294 68 Q HA 0.369 4.709 4.340 0.000 0.000 0.257 68 Q C -0.572 175.349 176.000 -0.133 0.000 0.955 68 Q CA -0.512 55.264 55.803 -0.045 0.000 0.936 68 Q CB 0.365 29.160 28.738 0.096 0.000 1.188 68 Q HN 0.286 nan 8.270 nan 0.000 0.420 69 L N 2.501 123.537 121.223 -0.311 0.000 2.360 69 L HA 0.419 4.759 4.340 0.000 0.000 0.271 69 L C 0.183 176.915 176.870 -0.231 0.000 1.057 69 L CA -0.058 54.568 54.840 -0.356 0.000 0.803 69 L CB 0.878 42.617 42.059 -0.534 0.000 1.207 69 L HN 0.521 nan 8.230 nan 0.000 0.445 70 K N 1.341 121.676 120.400 -0.108 0.000 3.394 70 K HA 0.239 4.560 4.320 0.000 0.000 0.166 70 K C -0.884 175.807 176.600 0.152 0.000 1.063 70 K CA -0.209 56.138 56.287 0.099 0.000 0.764 70 K CB 0.444 33.016 32.500 0.120 0.000 0.870 70 K HN 0.482 nan 8.250 nan 0.000 0.556 71 E N 0.006 120.289 120.200 0.139 0.000 2.280 71 E HA 0.243 4.593 4.350 0.000 0.000 0.261 71 E C 0.206 177.079 176.600 0.455 0.000 1.088 71 E CA -0.482 56.012 56.400 0.156 0.000 0.915 71 E CB 0.933 30.679 29.700 0.077 0.000 1.141 71 E HN 0.279 nan 8.360 nan 0.000 0.433 72 N N 0.102 119.018 118.700 0.360 0.000 2.606 72 N HA 0.010 4.750 4.740 0.000 0.000 0.208 72 N C -0.253 175.406 175.510 0.248 0.000 1.046 72 N CA 0.223 53.449 53.050 0.294 0.000 0.891 72 N CB 0.443 38.980 38.487 0.084 0.000 1.344 72 N HN 0.384 nan 8.380 nan 0.000 0.437 73 D N 1.716 122.323 120.400 0.344 0.000 2.344 73 D HA 0.110 4.750 4.640 0.000 0.000 0.244 73 D C -0.047 176.521 176.300 0.446 0.000 1.134 73 D CA 0.428 54.595 54.000 0.279 0.000 0.930 73 D CB 1.010 41.976 40.800 0.276 0.000 1.175 73 D HN -0.056 nan 8.370 nan 0.000 0.437 74 T N 2.430 117.108 114.554 0.206 0.000 2.867 74 T HA 0.099 4.450 4.350 0.000 0.000 0.297 74 T C 0.346 175.103 174.700 0.096 0.000 0.989 74 T CA 0.064 62.256 62.100 0.154 0.000 1.159 74 T CB 0.031 68.817 68.868 -0.137 0.000 0.928 74 T HN 0.373 nan 8.240 nan 0.000 0.538 75 H N -0.265 118.834 119.070 0.049 0.000 2.906 75 H HA 0.732 5.288 4.556 0.000 0.000 0.337 75 H C -1.109 174.218 175.328 -0.001 0.000 1.257 75 H CA -1.387 54.585 56.048 -0.127 0.000 1.192 75 H CB 1.140 30.857 29.762 -0.075 0.000 1.912 75 H HN 0.660 nan 8.280 nan 0.000 0.573 76 c N 1.898 120.495 118.600 -0.007 0.000 2.607 76 c HA 0.542 5.112 4.570 0.000 0.000 0.350 76 c C -0.640 173.490 174.090 0.068 0.000 1.101 76 c CA -0.523 55.809 56.329 0.006 0.000 1.282 76 c CB -0.584 41.892 42.510 -0.057 0.000 1.825 76 c HN 0.677 nan 8.230 nan 0.000 0.460 77 I N 5.383 126.032 120.570 0.131 0.000 2.365 77 I HA 0.473 4.643 4.170 0.000 0.000 0.291 77 I C -0.364 175.849 176.117 0.160 0.000 1.004 77 I CA 0.371 61.779 61.300 0.180 0.000 1.311 77 I CB 1.390 39.522 38.000 0.220 0.000 1.401 77 I HN 0.823 nan 8.210 nan 0.000 0.491 78 D N 5.544 126.060 120.400 0.193 0.000 2.732 78 D HA 0.684 5.325 4.640 0.000 0.000 0.229 78 D C -0.878 175.609 176.300 0.311 0.000 1.152 78 D CA -0.549 53.551 54.000 0.167 0.000 0.854 78 D CB 1.738 42.565 40.800 0.046 0.000 1.590 78 D HN 0.386 nan 8.370 nan 0.000 0.468 79 F N -1.580 118.428 119.950 0.096 0.000 2.664 79 F HA 0.724 5.251 4.527 0.000 0.000 0.317 79 F C -1.386 174.503 175.800 0.147 0.000 1.108 79 F CA -1.187 56.927 58.000 0.190 0.000 0.957 79 F CB 1.456 40.596 39.000 0.234 0.000 1.365 79 F HN 0.334 nan 8.300 nan 0.000 0.475 80 H N 0.091 119.329 119.070 0.279 0.000 2.524 80 H HA 0.566 5.123 4.556 0.000 0.000 0.353 80 H C -1.313 174.393 175.328 0.630 0.000 1.136 80 H CA -0.599 55.608 56.048 0.264 0.000 1.193 80 H CB 1.770 31.630 29.762 0.163 0.000 1.558 80 H HN 0.707 nan 8.280 nan 0.000 0.515 81 Y N 0.686 121.363 120.300 0.629 0.000 2.605 81 Y HA 0.704 5.254 4.550 0.000 0.000 0.343 81 Y C -1.776 174.385 175.900 0.435 0.000 1.036 81 Y CA -1.692 56.772 58.100 0.607 0.000 1.065 81 Y CB 1.616 40.413 38.460 0.562 0.000 1.288 81 Y HN 0.538 nan 8.280 nan 0.000 0.481 82 F N 1.286 121.288 119.950 0.085 0.000 2.604 82 F HA 0.701 5.228 4.527 0.000 0.000 0.316 82 F C -2.033 173.697 175.800 -0.116 0.000 1.136 82 F CA -0.842 56.921 58.000 -0.394 0.000 0.989 82 F CB 1.864 40.062 39.000 -1.336 0.000 1.258 82 F HN 0.534 nan 8.300 nan 0.000 0.451 83 V N 3.769 123.391 119.914 -0.486 0.000 2.709 83 V HA 0.808 4.928 4.120 0.000 0.000 0.308 83 V C -1.016 174.843 176.094 -0.391 0.000 1.062 83 V CA -0.672 61.486 62.300 -0.236 0.000 0.901 83 V CB 1.922 33.699 31.823 -0.077 0.000 1.003 83 V HN 0.838 nan 8.190 nan 0.000 0.425 84 S N 2.041 117.675 115.700 -0.110 0.000 2.572 84 S HA 0.778 5.249 4.470 0.000 0.000 0.274 84 S C -0.927 173.615 174.600 -0.096 0.000 1.150 84 S CA -0.558 57.619 58.200 -0.039 0.000 0.944 84 S CB 1.981 65.322 63.200 0.235 0.000 1.071 84 S HN 0.580 nan 8.310 nan 0.000 0.479 85 S N 1.697 117.276 115.700 -0.203 0.000 2.600 85 S HA 0.905 5.375 4.470 0.000 0.000 0.300 85 S C -0.122 174.161 174.600 -0.529 0.000 1.087 85 S CA -0.323 57.619 58.200 -0.431 0.000 0.965 85 S CB 1.708 64.719 63.200 -0.315 0.000 1.089 85 S HN 1.155 nan 8.310 nan 0.000 0.496 86 K N 0.208 119.985 120.400 -1.038 0.000 7.999 86 K HA -0.207 4.113 4.320 0.000 0.000 0.193 86 K C 1.124 177.426 176.600 -0.497 0.000 1.577 86 K CA 1.604 57.161 56.287 -1.216 0.000 0.930 86 K CB -2.009 29.855 32.500 -1.061 0.000 0.385 86 K HN 0.714 nan 8.250 nan 0.000 0.442 87 S N 0.182 115.657 115.700 -0.374 0.000 2.154 87 S HA 0.153 4.623 4.470 0.000 0.000 0.154 87 S C 0.750 175.241 174.600 -0.182 0.000 1.392 87 S CA 0.915 58.974 58.200 -0.235 0.000 2.418 87 S CB -0.278 62.771 63.200 -0.252 0.000 0.325 87 S HN 0.544 nan 8.310 nan 0.000 0.348 88 N N 0.024 118.623 118.700 -0.168 0.000 2.381 88 N HA 0.375 5.115 4.740 0.000 0.000 0.257 88 N C -1.419 174.012 175.510 -0.133 0.000 1.409 88 N CA -0.069 52.902 53.050 -0.132 0.000 0.836 88 N CB 1.134 39.571 38.487 -0.084 0.000 1.384 88 N HN 0.309 nan 8.380 nan 0.000 0.490 89 S N 1.164 116.762 115.700 -0.169 0.000 2.651 89 S HA 0.573 5.043 4.470 0.000 0.000 0.291 89 S C -2.535 172.025 174.600 -0.067 0.000 1.141 89 S CA -1.044 57.071 58.200 -0.142 0.000 1.027 89 S CB 1.722 64.744 63.200 -0.296 0.000 1.043 89 S HN 0.010 nan 8.310 nan 0.000 0.530 90 P HA 0.163 nan 4.420 nan 0.000 0.271 90 P C -1.924 175.396 177.300 0.032 0.000 1.233 90 P CA -1.202 61.899 63.100 0.001 0.000 0.764 90 P CB 0.177 31.879 31.700 0.003 0.000 0.825 91 P HA -0.011 nan 4.420 nan 0.000 0.223 91 P C 0.474 177.752 177.300 -0.036 0.000 1.151 91 P CA 1.155 64.232 63.100 -0.038 0.000 0.787 91 P CB 0.324 31.976 31.700 -0.082 0.000 0.788 92 G N -1.226 107.563 108.800 -0.019 0.000 2.368 92 G HA2 0.397 4.357 3.960 0.000 0.000 0.293 92 G HA3 0.397 4.357 3.960 0.000 0.000 0.293 92 G C -1.939 172.960 174.900 -0.001 0.000 1.467 92 G CA -0.731 44.362 45.100 -0.012 0.000 0.804 92 G HN -0.065 nan 8.290 nan 0.000 0.535 93 L N -0.146 121.078 121.223 0.002 0.000 2.439 93 L HA 0.711 5.052 4.340 0.000 0.000 0.261 93 L C 0.114 177.005 176.870 0.036 0.000 1.153 93 L CA -0.708 54.130 54.840 -0.004 0.000 0.808 93 L CB 1.330 43.380 42.059 -0.016 0.000 1.126 93 L HN 0.525 nan 8.230 nan 0.000 0.460 94 L N 3.052 124.300 121.223 0.041 0.000 2.319 94 L HA 0.542 4.882 4.340 0.000 0.000 0.281 94 L C -0.720 176.225 176.870 0.125 0.000 1.005 94 L CA -0.019 54.912 54.840 0.152 0.000 0.828 94 L CB 0.698 42.903 42.059 0.243 0.000 1.227 94 L HN 0.507 nan 8.230 nan 0.000 0.415 95 N N 3.470 122.245 118.700 0.125 0.000 2.370 95 N HA 0.625 5.365 4.740 0.000 0.000 0.303 95 N C -1.339 174.168 175.510 -0.005 0.000 1.103 95 N CA -0.380 52.658 53.050 -0.021 0.000 0.848 95 N CB 2.613 40.973 38.487 -0.212 0.000 1.235 95 N HN 0.332 nan 8.380 nan 0.000 0.496 96 V N 2.530 122.375 119.914 -0.115 0.000 2.487 96 V HA 0.421 4.542 4.120 0.000 0.000 0.298 96 V C -0.987 174.887 176.094 -0.368 0.000 1.028 96 V CA -0.669 61.481 62.300 -0.249 0.000 0.860 96 V CB 0.551 32.235 31.823 -0.232 0.000 0.991 96 V HN 0.500 nan 8.190 nan 0.000 0.427 97 Y N 2.750 122.966 120.300 -0.141 0.000 2.496 97 Y HA 0.713 5.263 4.550 0.000 0.000 0.331 97 Y C 0.134 175.964 175.900 -0.117 0.000 1.140 97 Y CA -1.104 56.947 58.100 -0.082 0.000 1.166 97 Y CB 2.029 40.464 38.460 -0.041 0.000 1.249 97 Y HN 0.301 nan 8.280 nan 0.000 0.479 98 V N 2.389 122.350 119.914 0.079 0.000 2.380 98 V HA 0.236 4.357 4.120 0.000 0.000 0.272 98 V C -0.497 175.627 176.094 0.050 0.000 1.011 98 V CA -1.204 61.095 62.300 -0.001 0.000 0.826 98 V CB 0.925 32.651 31.823 -0.162 0.000 1.040 98 V HN 0.595 nan 8.190 nan 0.000 0.441 99 K N 3.512 123.955 120.400 0.072 0.000 2.349 99 K HA 0.523 4.843 4.320 0.000 0.000 0.288 99 K C -0.468 176.138 176.600 0.011 0.000 1.058 99 K CA -0.164 56.149 56.287 0.043 0.000 0.953 99 K CB 1.390 33.900 32.500 0.017 0.000 0.997 99 K HN 0.528 nan 8.250 nan 0.000 0.477 100 V N 4.375 124.277 119.914 -0.021 0.000 2.513 100 V HA 0.348 4.468 4.120 0.000 0.000 0.299 100 V C -0.719 175.172 176.094 -0.338 0.000 1.035 100 V CA -0.675 61.547 62.300 -0.131 0.000 0.889 100 V CB 1.384 33.209 31.823 0.004 0.000 0.988 100 V HN 1.062 nan 8.190 nan 0.000 0.440 101 N N 3.672 121.870 118.700 -0.838 0.000 2.716 101 N HA -0.223 4.517 4.740 0.000 0.000 0.250 101 N C 0.531 175.764 175.510 -0.462 0.000 1.033 101 N CA 1.337 53.740 53.050 -1.079 0.000 0.727 101 N CB -1.833 36.411 38.487 -0.405 0.000 0.950 101 N HN 1.099 nan 8.380 nan 0.000 0.541 102 N N -1.688 116.803 118.700 -0.349 0.000 2.708 102 N HA -0.197 4.543 4.740 0.000 0.000 0.251 102 N C 0.688 176.173 175.510 -0.041 0.000 1.017 102 N CA 1.342 54.384 53.050 -0.014 0.000 0.742 102 N CB -0.982 37.619 38.487 0.190 0.000 0.943 102 N HN 0.709 nan 8.380 nan 0.000 0.539 103 G N -0.211 108.532 108.800 -0.095 0.000 2.695 103 G HA2 0.550 4.510 3.960 0.000 0.000 0.213 103 G HA3 0.550 4.510 3.960 0.000 0.000 0.213 103 G C -2.479 172.377 174.900 -0.073 0.000 1.406 103 G CA -0.526 44.522 45.100 -0.087 0.000 1.049 103 G HN 0.282 nan 8.290 nan 0.000 0.573 104 P HA 0.088 nan 4.420 nan 0.000 0.271 104 P C 0.906 178.175 177.300 -0.051 0.000 1.218 104 P CA -0.586 62.469 63.100 -0.075 0.000 0.780 104 P CB 1.414 33.057 31.700 -0.094 0.000 0.901 105 L N 2.305 123.491 121.223 -0.062 0.000 2.137 105 L HA -0.056 4.284 4.340 0.000 0.000 0.213 105 L C 1.142 178.037 176.870 0.042 0.000 1.085 105 L CA 2.608 57.404 54.840 -0.072 0.000 0.760 105 L CB -1.477 40.447 42.059 -0.225 0.000 0.893 105 L HN 0.894 nan 8.230 nan 0.000 0.434 106 G N -1.073 107.756 108.800 0.050 0.000 2.860 106 G HA2 -0.277 3.684 3.960 0.000 0.000 0.553 106 G HA3 -0.277 3.684 3.960 0.000 0.000 0.553 106 G C -0.245 174.796 174.900 0.235 0.000 1.439 106 G CA -0.156 45.020 45.100 0.126 0.000 0.879 106 G HN 0.530 nan 8.290 nan 0.000 0.545 107 N N 1.071 119.892 118.700 0.202 0.000 2.399 107 N HA 0.416 5.157 4.740 0.000 0.000 0.250 107 N C -2.322 173.291 175.510 0.172 0.000 1.272 107 N CA -0.509 52.667 53.050 0.211 0.000 0.928 107 N CB 0.671 39.240 38.487 0.138 0.000 1.158 107 N HN 0.345 nan 8.380 nan 0.000 0.463 108 P HA 0.170 nan 4.420 nan 0.000 0.275 108 P C 0.639 177.889 177.300 -0.083 0.000 1.227 108 P CA -0.172 62.702 63.100 -0.376 0.000 0.781 108 P CB 0.467 31.804 31.700 -0.605 0.000 0.906 109 I N -2.037 118.498 120.570 -0.058 0.000 3.783 109 I HA 0.455 4.625 4.170 0.000 0.000 0.310 109 I C 0.011 176.261 176.117 0.221 0.000 1.274 109 I CA 0.119 61.462 61.300 0.070 0.000 1.294 109 I CB 0.065 38.055 38.000 -0.016 0.000 1.051 109 I HN 0.223 nan 8.210 nan 0.000 0.435 110 W N 3.073 124.333 121.300 -0.066 0.000 3.248 110 W HA 0.503 5.163 4.660 0.000 0.000 0.311 110 W C -2.130 174.349 176.519 -0.067 0.000 1.258 110 W CA -0.612 56.726 57.345 -0.012 0.000 1.191 110 W CB 1.306 30.787 29.460 0.034 0.000 1.389 110 W HN 0.183 nan 8.180 nan 0.000 0.561 111 N N 3.857 122.113 118.700 -0.741 0.000 2.928 111 N HA 0.383 5.123 4.740 0.000 0.000 0.247 111 N C -1.770 173.152 175.510 -0.979 0.000 1.141 111 N CA -0.594 52.037 53.050 -0.698 0.000 0.977 111 N CB 1.113 39.408 38.487 -0.320 0.000 1.663 111 N HN 0.531 nan 8.380 nan 0.000 0.509 112 I N -1.726 118.388 120.570 -0.760 0.000 2.797 112 I HA 0.594 4.764 4.170 0.000 0.000 0.307 112 I C 1.460 177.438 176.117 -0.232 0.000 1.033 112 I CA -0.749 60.269 61.300 -0.471 0.000 1.071 112 I CB 2.037 39.800 38.000 -0.395 0.000 1.255 112 I HN 0.636 nan 8.210 nan 0.000 0.445 113 S N 2.025 117.631 115.700 -0.156 0.000 2.453 113 S HA 0.205 4.675 4.470 0.000 0.000 0.231 113 S C 0.899 175.463 174.600 -0.060 0.000 1.005 113 S CA 0.393 58.531 58.200 -0.104 0.000 0.949 113 S CB -0.654 62.492 63.200 -0.089 0.000 0.774 113 S HN 1.113 nan 8.310 nan 0.000 0.510 114 G N 2.732 111.508 108.800 -0.042 0.000 2.730 114 G HA2 0.466 4.426 3.960 0.000 0.000 0.291 114 G HA3 0.466 4.426 3.960 0.000 0.000 0.291 114 G C -1.053 173.834 174.900 -0.022 0.000 1.456 114 G CA -0.800 44.278 45.100 -0.036 0.000 0.996 114 G HN 0.393 nan 8.290 nan 0.000 0.528 115 D N 3.168 123.548 120.400 -0.032 0.000 2.399 115 D HA 0.141 4.781 4.640 0.000 0.000 0.241 115 D C -2.318 173.945 176.300 -0.061 0.000 1.133 115 D CA -1.136 52.837 54.000 -0.045 0.000 0.890 115 D CB 1.268 42.040 40.800 -0.046 0.000 1.201 115 D HN 0.043 nan 8.370 nan 0.000 0.432 116 P HA -0.009 nan 4.420 nan 0.000 0.267 116 P C 0.487 177.700 177.300 -0.145 0.000 1.201 116 P CA 0.372 63.391 63.100 -0.136 0.000 0.775 116 P CB 0.415 32.045 31.700 -0.117 0.000 0.854 117 T N -2.500 111.910 114.554 -0.240 0.000 3.328 117 T HA 0.177 4.527 4.350 0.000 0.000 0.297 117 T C 0.520 175.060 174.700 -0.266 0.000 0.882 117 T CA -0.532 61.444 62.100 -0.206 0.000 0.906 117 T CB -0.363 68.399 68.868 -0.176 0.000 1.210 117 T HN 0.169 nan 8.240 nan 0.000 0.631 118 R N 2.234 122.471 120.500 -0.439 0.000 3.314 118 R HA -0.139 4.201 4.340 0.000 0.000 0.243 118 R C -0.141 176.045 176.300 -0.189 0.000 0.954 118 R CA 1.373 57.236 56.100 -0.395 0.000 0.645 118 R CB -2.374 27.939 30.300 0.022 0.000 1.022 118 R HN 0.882 nan 8.270 nan 0.000 0.468 119 T N -5.055 109.247 114.554 -0.421 0.000 2.982 119 T HA 0.528 4.878 4.350 0.000 0.000 0.321 119 T C -0.410 174.259 174.700 -0.052 0.000 1.229 119 T CA -1.145 60.939 62.100 -0.026 0.000 1.044 119 T CB 0.996 69.868 68.868 0.007 0.000 1.184 119 T HN 0.292 nan 8.240 nan 0.000 0.477 120 W N 1.488 122.951 121.300 0.272 0.000 2.161 120 W HA 0.584 5.244 4.660 0.000 0.000 0.344 120 W C 0.736 177.236 176.519 -0.032 0.000 1.262 120 W CA -0.198 57.260 57.345 0.189 0.000 1.270 120 W CB 0.601 30.198 29.460 0.227 0.000 1.126 120 W HN 0.592 nan 8.180 nan 0.000 0.598 121 N N 1.584 120.307 118.700 0.037 0.000 2.425 121 N HA 0.249 4.990 4.740 0.000 0.000 0.289 121 N C -0.946 174.319 175.510 -0.408 0.000 1.074 121 N CA -0.929 51.942 53.050 -0.298 0.000 0.905 121 N CB 2.067 40.097 38.487 -0.761 0.000 1.586 121 N HN 0.299 nan 8.380 nan 0.000 0.490 122 R N 0.917 121.170 120.500 -0.412 0.000 2.641 122 R HA 0.625 4.966 4.340 0.000 0.000 0.269 122 R C -0.514 175.575 176.300 -0.351 0.000 1.074 122 R CA -0.066 55.665 56.100 -0.614 0.000 1.133 122 R CB 0.684 30.725 30.300 -0.432 0.000 1.029 122 R HN 0.670 nan 8.270 nan 0.000 0.488 123 A N 2.531 125.034 122.820 -0.529 0.000 2.512 123 A HA 0.286 4.606 4.320 0.000 0.000 0.294 123 A C -1.398 175.897 177.584 -0.481 0.000 1.054 123 A CA -0.939 50.809 52.037 -0.482 0.000 0.756 123 A CB 1.202 19.747 19.000 -0.758 0.000 1.293 123 A HN 0.796 nan 8.150 nan 0.000 0.395 124 E N 2.065 122.145 120.200 -0.200 0.000 2.281 124 E HA 0.859 5.209 4.350 0.000 0.000 0.262 124 E C -1.273 175.294 176.600 -0.055 0.000 0.933 124 E CA -0.990 55.360 56.400 -0.083 0.000 0.809 124 E CB 2.016 31.689 29.700 -0.044 0.000 1.242 124 E HN 0.475 nan 8.360 nan 0.000 0.418 125 L N 0.728 121.937 121.223 -0.022 0.000 2.409 125 L HA 0.616 4.956 4.340 0.000 0.000 0.272 125 L C -0.824 175.987 176.870 -0.098 0.000 0.980 125 L CA -1.184 53.624 54.840 -0.054 0.000 0.826 125 L CB 2.048 44.088 42.059 -0.031 0.000 1.268 125 L HN 0.785 nan 8.230 nan 0.000 0.407 126 A N 5.156 127.863 122.820 -0.188 0.000 2.937 126 A HA 0.598 4.918 4.320 0.000 0.000 0.338 126 A C -0.213 177.248 177.584 -0.205 0.000 1.273 126 A CA -0.320 51.550 52.037 -0.278 0.000 0.937 126 A CB -0.368 18.178 19.000 -0.757 0.000 1.133 126 A HN 0.659 nan 8.150 nan 0.000 0.491 127 I N 1.428 121.853 120.570 -0.241 0.000 2.337 127 I HA 0.102 4.272 4.170 0.000 0.000 0.291 127 I C 0.427 176.306 176.117 -0.396 0.000 1.046 127 I CA 0.135 61.205 61.300 -0.383 0.000 1.324 127 I CB 1.517 39.100 38.000 -0.695 0.000 1.409 127 I HN 0.392 nan 8.210 nan 0.000 0.494 128 S N 4.445 119.974 115.700 -0.285 0.000 3.208 128 S HA 0.258 4.728 4.470 0.000 0.000 0.195 128 S C -0.017 174.367 174.600 -0.360 0.000 1.394 128 S CA -0.380 57.681 58.200 -0.231 0.000 1.127 128 S CB -0.154 63.142 63.200 0.159 0.000 1.282 128 S HN 0.619 nan 8.310 nan 0.000 0.513 129 T N 2.419 116.565 114.554 -0.680 0.000 2.965 129 T HA 0.534 4.884 4.350 0.000 0.000 0.306 129 T C -0.752 173.802 174.700 -0.243 0.000 0.991 129 T CA -0.308 61.620 62.100 -0.288 0.000 1.001 129 T CB 0.341 69.143 68.868 -0.110 0.000 0.984 129 T HN 0.226 nan 8.240 nan 0.000 0.446 130 F N 0.410 120.519 119.950 0.265 0.000 2.575 130 F HA 0.606 5.134 4.527 0.000 0.000 0.330 130 F C 0.209 176.182 175.800 0.289 0.000 1.056 130 F CA -1.648 56.540 58.000 0.313 0.000 0.964 130 F CB 0.909 40.081 39.000 0.287 0.000 1.258 130 F HN 0.571 nan 8.300 nan 0.000 0.484 131 W N 5.045 126.543 121.300 0.331 0.000 2.477 131 W HA 0.056 4.716 4.660 0.000 0.000 0.339 131 W C -1.488 175.150 176.519 0.198 0.000 1.195 131 W CA -0.678 56.793 57.345 0.209 0.000 1.324 131 W CB 0.475 30.019 29.460 0.139 0.000 1.170 131 W HN 0.267 nan 8.180 nan 0.000 0.570 132 P HA -0.079 nan 4.420 nan 0.000 0.245 132 P C -0.293 176.791 177.300 -0.360 0.000 1.212 132 P CA 0.735 63.062 63.100 -1.287 0.000 0.774 132 P CB 0.034 30.942 31.700 -1.321 0.000 0.999 133 N N 0.999 119.664 118.700 -0.058 0.000 2.381 133 N HA 0.276 5.016 4.740 0.000 0.000 0.254 133 N C 0.045 175.714 175.510 0.265 0.000 1.264 133 N CA 0.257 53.371 53.050 0.107 0.000 0.942 133 N CB 0.388 38.916 38.487 0.067 0.000 1.190 133 N HN 0.108 nan 8.380 nan 0.000 0.495 134 F N -1.174 118.796 119.950 0.034 0.000 2.662 134 F HA 0.633 5.160 4.527 0.000 0.000 0.312 134 F C -1.327 174.527 175.800 0.091 0.000 1.113 134 F CA -1.317 56.693 58.000 0.017 0.000 0.951 134 F CB 1.064 40.040 39.000 -0.041 0.000 1.344 134 F HN 0.469 nan 8.300 nan 0.000 0.462 135 Y N -0.166 120.151 120.300 0.028 0.000 2.588 135 Y HA 0.667 5.218 4.550 0.000 0.000 0.343 135 Y C -1.720 174.189 175.900 0.015 0.000 1.065 135 Y CA -1.382 56.672 58.100 -0.076 0.000 1.038 135 Y CB 1.743 40.152 38.460 -0.084 0.000 1.297 135 Y HN 0.939 nan 8.280 nan 0.000 0.467 136 Q N 2.385 122.300 119.800 0.192 0.000 2.325 136 Q HA 0.660 5.000 4.340 0.000 0.000 0.270 136 Q C -1.809 174.262 176.000 0.119 0.000 1.020 136 Q CA -0.933 54.928 55.803 0.096 0.000 0.785 136 Q CB 2.014 30.784 28.738 0.052 0.000 1.259 136 Q HN 0.799 nan 8.270 nan 0.000 0.452 137 V N 5.728 125.680 119.914 0.064 0.000 2.649 137 V HA 0.358 4.478 4.120 0.000 0.000 0.292 137 V C 0.091 176.068 176.094 -0.194 0.000 1.055 137 V CA -0.014 62.232 62.300 -0.090 0.000 1.023 137 V CB 0.980 32.700 31.823 -0.173 0.000 0.992 137 V HN 0.717 nan 8.190 nan 0.000 0.480 138 I N 4.327 124.754 120.570 -0.239 0.000 2.534 138 I HA 0.401 4.571 4.170 0.000 0.000 0.288 138 I C -1.172 174.790 176.117 -0.259 0.000 1.077 138 I CA -0.305 60.900 61.300 -0.158 0.000 1.051 138 I CB 1.961 39.977 38.000 0.025 0.000 1.234 138 I HN 0.381 nan 8.210 nan 0.000 0.425 139 F N 4.399 124.282 119.950 -0.112 0.000 2.405 139 F HA 0.370 4.897 4.527 0.000 0.000 0.355 139 F C 0.570 176.408 175.800 0.064 0.000 1.121 139 F CA -0.293 57.663 58.000 -0.073 0.000 1.112 139 F CB 1.090 39.933 39.000 -0.261 0.000 1.126 139 F HN 0.425 nan 8.300 nan 0.000 0.481 140 E N 3.179 123.533 120.200 0.257 0.000 2.210 140 E HA 0.586 4.937 4.350 0.000 0.000 0.266 140 E C -1.752 174.984 176.600 0.228 0.000 0.883 140 E CA -0.660 55.803 56.400 0.105 0.000 0.761 140 E CB 2.027 31.667 29.700 -0.101 0.000 1.156 140 E HN 0.401 nan 8.360 nan 0.000 0.412 141 V N 5.903 125.912 119.914 0.157 0.000 2.435 141 V HA 0.408 4.529 4.120 0.000 0.000 0.290 141 V C -0.031 176.099 176.094 0.060 0.000 1.030 141 V CA -0.588 61.748 62.300 0.060 0.000 0.881 141 V CB 1.463 33.210 31.823 -0.125 0.000 0.983 141 V HN 0.633 nan 8.190 nan 0.000 0.445 142 I N 4.163 124.777 120.570 0.073 0.000 2.362 142 I HA 0.328 4.498 4.170 0.000 0.000 0.289 142 I C 0.653 176.804 176.117 0.056 0.000 0.994 142 I CA -0.405 60.945 61.300 0.085 0.000 1.158 142 I CB 2.129 40.172 38.000 0.073 0.000 1.315 142 I HN 0.706 nan 8.210 nan 0.000 0.451 143 T N 1.153 115.752 114.554 0.075 0.000 2.930 143 T HA 0.060 4.410 4.350 0.000 0.000 0.306 143 T C 1.140 175.803 174.700 -0.062 0.000 1.045 143 T CA -0.397 61.707 62.100 0.006 0.000 1.134 143 T CB 1.257 70.118 68.868 -0.010 0.000 0.961 143 T HN 0.726 nan 8.240 nan 0.000 0.545 144 S N 1.219 116.845 115.700 -0.124 0.000 2.501 144 S HA 0.359 4.829 4.470 0.000 0.000 0.220 144 S C 1.899 176.246 174.600 -0.420 0.000 0.997 144 S CA 0.329 58.391 58.200 -0.229 0.000 0.919 144 S CB -0.568 62.513 63.200 -0.199 0.000 0.778 144 S HN 1.913 nan 8.310 nan 0.000 0.523 145 G N 0.323 108.922 108.800 -0.335 0.000 2.213 145 G HA2 -0.185 3.776 3.960 0.000 0.000 0.226 145 G HA3 -0.185 3.776 3.960 0.000 0.000 0.226 145 G C 0.008 174.739 174.900 -0.283 0.000 0.992 145 G CA 0.069 44.971 45.100 -0.330 0.000 0.632 145 G HN 0.711 nan 8.290 nan 0.000 0.511 146 H N -0.457 118.550 119.070 -0.105 0.000 2.530 146 H HA 0.695 5.252 4.556 0.000 0.000 0.342 146 H C 0.396 175.619 175.328 -0.174 0.000 1.312 146 H CA -0.355 55.614 56.048 -0.133 0.000 1.376 146 H CB 0.920 30.605 29.762 -0.128 0.000 1.692 146 H HN 0.111 nan 8.280 nan 0.000 0.622 147 Q N 0.857 120.611 119.800 -0.078 0.000 2.769 147 Q HA 0.305 4.645 4.340 0.000 0.000 0.375 147 Q C -0.802 174.975 176.000 -0.371 0.000 0.996 147 Q CA -0.579 55.093 55.803 -0.218 0.000 1.042 147 Q CB 0.287 28.900 28.738 -0.209 0.000 1.329 147 Q HN 0.791 nan 8.270 nan 0.000 0.427 148 G N -0.073 108.516 108.800 -0.351 0.000 3.211 148 G HA2 0.496 4.456 3.960 0.000 0.000 0.262 148 G HA3 0.496 4.456 3.960 0.000 0.000 0.262 148 G C -1.624 173.014 174.900 -0.436 0.000 1.352 148 G CA -0.406 44.426 45.100 -0.446 0.000 1.004 148 G HN 0.299 nan 8.290 nan 0.000 0.559 149 Y N -1.283 118.999 120.300 -0.029 0.000 2.524 149 Y HA 0.721 5.271 4.550 0.000 0.000 0.344 149 Y C -0.189 175.722 175.900 0.019 0.000 1.012 149 Y CA -0.811 57.302 58.100 0.021 0.000 1.068 149 Y CB 2.719 41.236 38.460 0.096 0.000 1.249 149 Y HN 0.213 nan 8.280 nan 0.000 0.468 150 L N 2.367 123.709 121.223 0.197 0.000 2.470 150 L HA 0.839 5.179 4.340 0.000 0.000 0.268 150 L C -1.004 175.954 176.870 0.145 0.000 0.964 150 L CA -0.572 54.346 54.840 0.130 0.000 0.839 150 L CB 2.072 44.156 42.059 0.042 0.000 1.276 150 L HN 0.758 nan 8.230 nan 0.000 0.403 151 A N 3.498 126.457 122.820 0.231 0.000 2.498 151 A HA 0.933 5.253 4.320 0.000 0.000 0.298 151 A C -1.537 176.315 177.584 0.446 0.000 1.075 151 A CA -0.426 51.768 52.037 0.262 0.000 0.714 151 A CB 1.762 20.714 19.000 -0.079 0.000 1.299 151 A HN 0.457 nan 8.150 nan 0.000 0.407 152 I N 0.710 121.523 120.570 0.406 0.000 2.545 152 I HA 0.500 4.670 4.170 0.000 0.000 0.292 152 I C 0.149 176.410 176.117 0.240 0.000 1.040 152 I CA 0.096 61.573 61.300 0.296 0.000 1.068 152 I CB 2.339 40.225 38.000 -0.191 0.000 1.251 152 I HN 0.862 nan 8.210 nan 0.000 0.424 153 D N 2.801 123.445 120.400 0.407 0.000 2.218 153 D HA 0.104 4.744 4.640 0.000 0.000 0.307 153 D C -0.277 176.263 176.300 0.399 0.000 1.086 153 D CA 0.304 54.504 54.000 0.333 0.000 0.886 153 D CB 0.740 41.439 40.800 -0.167 0.000 1.645 153 D HN 0.552 nan 8.370 nan 0.000 0.523 154 E N 0.957 121.369 120.200 0.353 0.000 2.908 154 E HA 0.326 4.676 4.350 0.000 0.000 0.291 154 E C -1.078 175.702 176.600 0.300 0.000 1.154 154 E CA -0.644 55.896 56.400 0.234 0.000 0.784 154 E CB 1.051 30.779 29.700 0.047 0.000 1.500 154 E HN -0.148 nan 8.360 nan 0.000 0.382 155 V N 2.909 123.007 119.914 0.306 0.000 2.599 155 V HA 0.082 4.202 4.120 0.000 0.000 0.300 155 V C 0.205 176.422 176.094 0.205 0.000 1.034 155 V CA 0.332 62.830 62.300 0.330 0.000 1.115 155 V CB 0.242 32.294 31.823 0.382 0.000 0.934 155 V HN 0.537 nan 8.190 nan 0.000 0.485 156 K N 4.124 124.659 120.400 0.225 0.000 2.668 156 K HA 0.445 4.765 4.320 0.000 0.000 0.246 156 K C -1.312 175.383 176.600 0.159 0.000 0.976 156 K CA -0.644 55.737 56.287 0.156 0.000 0.902 156 K CB 2.200 34.779 32.500 0.131 0.000 1.172 156 K HN 0.444 nan 8.250 nan 0.000 0.452 157 V N 4.657 124.669 119.914 0.163 0.000 2.530 157 V HA 0.351 4.471 4.120 0.000 0.000 0.282 157 V C 0.094 176.257 176.094 0.116 0.000 1.048 157 V CA -0.412 61.997 62.300 0.182 0.000 0.997 157 V CB 0.602 32.563 31.823 0.229 0.000 0.987 157 V HN 0.579 nan 8.190 nan 0.000 0.477 158 L N 3.710 124.927 121.223 -0.009 0.000 2.409 158 L HA 0.537 4.878 4.340 0.000 0.000 0.272 158 L C 0.885 177.448 176.870 -0.512 0.000 0.980 158 L CA -0.583 54.136 54.840 -0.202 0.000 0.826 158 L CB 2.058 43.947 42.059 -0.282 0.000 1.268 158 L HN 0.764 nan 8.230 nan 0.000 0.407 159 G N 1.643 110.017 108.800 -0.710 0.000 3.197 159 G HA2 0.322 4.282 3.960 0.000 0.000 0.257 159 G HA3 0.322 4.282 3.960 0.000 0.000 0.257 159 G C -0.201 174.494 174.900 -0.342 0.000 0.835 159 G CA 0.253 44.703 45.100 -1.084 0.000 2.001 159 G HN 0.853 nan 8.290 nan 0.000 0.625 160 H N -2.512 116.416 119.070 -0.236 0.000 2.967 160 H HA 0.629 5.185 4.556 0.000 0.000 0.318 160 H C -3.287 171.997 175.328 -0.072 0.000 1.375 160 H CA -2.284 53.693 56.048 -0.119 0.000 1.132 160 H CB 0.359 30.078 29.762 -0.072 0.000 1.848 160 H HN -0.051 nan 8.280 nan 0.000 0.524 161 P HA 0.094 nan 4.420 nan 0.000 0.272 161 P C -0.039 177.427 177.300 0.277 0.000 1.223 161 P CA -0.309 62.839 63.100 0.080 0.000 0.784 161 P CB 0.488 32.211 31.700 0.037 0.000 0.923 162 c N 1.466 120.301 118.600 0.392 0.000 2.775 162 c HA 0.073 4.643 4.570 0.000 0.000 0.391 162 c C 2.316 176.505 174.090 0.166 0.000 1.295 162 c CA 1.041 57.478 56.329 0.179 0.000 2.119 162 c CB -0.618 41.903 42.510 0.018 0.000 2.705 162 c HN 0.727 nan 8.230 nan 0.000 0.710 163 T N -1.422 113.200 114.554 0.113 0.000 3.000 163 T HA 0.113 4.463 4.350 0.000 0.000 0.248 163 T C 1.348 176.076 174.700 0.047 0.000 1.034 163 T CA 0.284 62.437 62.100 0.088 0.000 1.060 163 T CB -0.005 68.914 68.868 0.085 0.000 0.983 163 T HN 0.688 nan 8.240 nan 0.000 0.482 164 R N 0.670 121.185 120.500 0.026 0.000 2.476 164 R HA 0.339 4.679 4.340 0.000 0.000 0.276 164 R C -0.487 175.806 176.300 -0.011 0.000 0.941 164 R CA 0.098 56.204 56.100 0.010 0.000 1.088 164 R CB 1.042 31.350 30.300 0.013 0.000 1.216 164 R HN 0.282 nan 8.270 nan 0.000 0.533 165 T N 1.247 115.775 114.554 -0.044 0.000 2.893 165 T HA 0.405 4.755 4.350 0.000 0.000 0.293 165 T C -2.733 171.864 174.700 -0.172 0.000 1.027 165 T CA -1.705 60.332 62.100 -0.106 0.000 0.988 165 T CB 2.656 71.434 68.868 -0.151 0.000 1.043 165 T HN -0.198 nan 8.240 nan 0.000 0.461 166 P HA 0.374 nan 4.420 nan 0.000 0.277 166 P C -0.740 176.290 177.300 -0.449 0.000 1.271 166 P CA -0.619 62.387 63.100 -0.157 0.000 0.795 166 P CB 0.572 32.295 31.700 0.039 0.000 1.101 167 H N -0.606 118.331 119.070 -0.223 0.000 2.538 167 H HA 0.362 4.918 4.556 0.000 0.000 0.353 167 H C -0.646 174.509 175.328 -0.287 0.000 1.109 167 H CA -0.258 55.656 56.048 -0.224 0.000 1.192 167 H CB 0.742 30.462 29.762 -0.069 0.000 1.555 167 H HN 0.255 nan 8.280 nan 0.000 0.518 168 F N 2.440 122.425 119.950 0.058 0.000 2.404 168 F HA 0.199 4.726 4.527 0.000 0.000 0.345 168 F C 0.723 176.550 175.800 0.045 0.000 1.110 168 F CA -0.581 57.414 58.000 -0.010 0.000 1.130 168 F CB 0.726 39.694 39.000 -0.053 0.000 1.129 168 F HN 0.168 nan 8.300 nan 0.000 0.500 169 L N 3.263 124.618 121.223 0.219 0.000 2.417 169 L HA 0.295 4.635 4.340 0.000 0.000 0.268 169 L C 0.963 177.922 176.870 0.149 0.000 1.158 169 L CA -0.731 54.197 54.840 0.147 0.000 0.819 169 L CB 0.414 42.521 42.059 0.079 0.000 1.112 169 L HN 0.586 nan 8.230 nan 0.000 0.458 170 R N 2.421 123.005 120.500 0.141 0.000 2.488 170 R HA -0.018 4.322 4.340 0.000 0.000 0.317 170 R C -0.561 175.794 176.300 0.092 0.000 0.941 170 R CA -0.300 55.879 56.100 0.132 0.000 1.076 170 R CB 0.117 30.495 30.300 0.130 0.000 0.917 170 R HN 0.393 nan 8.270 nan 0.000 0.407 171 I N 4.691 125.308 120.570 0.079 0.000 2.395 171 I HA 0.061 4.231 4.170 0.000 0.000 0.289 171 I C -0.189 175.987 176.117 0.098 0.000 1.023 171 I CA -0.073 61.276 61.300 0.081 0.000 1.350 171 I CB 1.400 39.444 38.000 0.073 0.000 1.409 171 I HN 0.613 nan 8.210 nan 0.000 0.507 172 Q N 5.246 125.096 119.800 0.084 0.000 2.256 172 Q HA 0.319 4.660 4.340 0.000 0.000 0.232 172 Q C -0.298 175.753 176.000 0.084 0.000 0.965 172 Q CA -0.848 54.998 55.803 0.072 0.000 0.908 172 Q CB 0.334 29.096 28.738 0.040 0.000 1.209 172 Q HN 0.548 nan 8.270 nan 0.000 0.489 173 N N 0.045 118.790 118.700 0.076 0.000 2.374 173 N HA 0.068 4.808 4.740 0.000 0.000 0.241 173 N C -0.729 174.772 175.510 -0.015 0.000 1.262 173 N CA 0.173 53.268 53.050 0.075 0.000 0.880 173 N CB 0.492 39.015 38.487 0.061 0.000 1.105 173 N HN 0.207 nan 8.380 nan 0.000 0.438 174 V N 0.881 120.755 119.914 -0.067 0.000 2.487 174 V HA 0.217 4.337 4.120 0.000 0.000 0.298 174 V C 0.085 176.110 176.094 -0.116 0.000 1.028 174 V CA -0.743 61.438 62.300 -0.198 0.000 0.860 174 V CB 1.725 33.219 31.823 -0.548 0.000 0.991 174 V HN 0.646 nan 8.190 nan 0.000 0.427 175 E N 3.794 123.934 120.200 -0.099 0.000 2.204 175 E HA 0.744 5.094 4.350 0.000 0.000 0.276 175 E C -1.615 174.929 176.600 -0.093 0.000 0.974 175 E CA -0.405 55.954 56.400 -0.068 0.000 0.815 175 E CB 2.165 31.837 29.700 -0.047 0.000 1.119 175 E HN 0.465 nan 8.360 nan 0.000 0.393 176 V N 3.893 123.764 119.914 -0.071 0.000 3.048 176 V HA 0.321 4.441 4.120 0.000 0.000 0.303 176 V C -1.654 174.406 176.094 -0.057 0.000 1.214 176 V CA -0.948 61.301 62.300 -0.084 0.000 0.984 176 V CB 2.374 34.140 31.823 -0.094 0.000 1.054 176 V HN 0.800 nan 8.190 nan 0.000 0.430 177 N N 3.797 122.456 118.700 -0.068 0.000 2.488 177 N HA 0.514 5.254 4.740 0.000 0.000 0.274 177 N C 0.217 175.706 175.510 -0.035 0.000 1.111 177 N CA 0.328 53.349 53.050 -0.048 0.000 0.974 177 N CB 1.787 40.240 38.487 -0.057 0.000 1.089 177 N HN 0.994 nan 8.380 nan 0.000 0.465 178 A N 1.209 124.021 122.820 -0.014 0.000 2.555 178 A HA 0.410 4.730 4.320 0.000 0.000 0.233 178 A C 1.435 179.019 177.584 0.000 0.000 1.060 178 A CA 0.869 52.907 52.037 0.002 0.000 0.759 178 A CB -0.420 18.585 19.000 0.009 0.000 0.995 178 A HN 0.932 nan 8.150 nan 0.000 0.506 179 G N 0.402 109.211 108.800 0.016 0.000 2.579 179 G HA2 -0.225 3.735 3.960 0.000 0.000 0.222 179 G HA3 -0.225 3.735 3.960 0.000 0.000 0.222 179 G C 0.432 175.347 174.900 0.026 0.000 1.201 179 G CA 0.397 45.509 45.100 0.020 0.000 0.710 179 G HN 0.943 nan 8.290 nan 0.000 0.516 180 Q N 0.842 120.635 119.800 -0.012 0.000 2.396 180 Q HA 0.559 4.899 4.340 0.000 0.000 0.221 180 Q C 0.446 176.443 176.000 -0.005 0.000 1.025 180 Q CA -0.099 55.670 55.803 -0.057 0.000 0.946 180 Q CB 0.471 29.104 28.738 -0.175 0.000 1.224 180 Q HN 0.793 nan 8.270 nan 0.000 0.539 181 F N -0.977 118.967 119.950 -0.010 0.000 2.399 181 F HA 0.755 5.282 4.527 0.000 0.000 0.328 181 F C -0.302 175.479 175.800 -0.032 0.000 1.084 181 F CA -1.275 56.720 58.000 -0.009 0.000 1.053 181 F CB 0.704 39.705 39.000 0.002 0.000 1.209 181 F HN 0.428 nan 8.300 nan 0.000 0.502 182 A N 1.462 124.396 122.820 0.191 0.000 2.311 182 A HA 0.788 5.108 4.320 0.000 0.000 0.334 182 A C -0.650 177.031 177.584 0.162 0.000 1.139 182 A CA -0.653 51.400 52.037 0.028 0.000 0.830 182 A CB 0.953 19.902 19.000 -0.085 0.000 1.234 182 A HN 0.860 nan 8.150 nan 0.000 0.483 183 T N 1.122 115.666 114.554 -0.016 0.000 2.881 183 T HA 0.533 4.884 4.350 0.000 0.000 0.290 183 T C -1.316 173.294 174.700 -0.150 0.000 1.000 183 T CA 0.082 62.217 62.100 0.060 0.000 0.978 183 T CB 0.369 69.319 68.868 0.137 0.000 0.997 183 T HN 0.336 nan 8.240 nan 0.000 0.443 184 F N 2.833 122.835 119.950 0.088 0.000 2.361 184 F HA 0.346 4.873 4.527 0.000 0.000 0.364 184 F C 0.974 176.859 175.800 0.142 0.000 1.120 184 F CA -0.783 57.264 58.000 0.078 0.000 1.102 184 F CB 1.255 40.271 39.000 0.028 0.000 1.183 184 F HN 0.225 nan 8.300 nan 0.000 0.476 185 Q N 3.685 123.597 119.800 0.187 0.000 2.349 185 Q HA 0.274 4.614 4.340 0.000 0.000 0.254 185 Q C -0.964 175.119 176.000 0.138 0.000 0.980 185 Q CA -0.248 55.638 55.803 0.139 0.000 0.924 185 Q CB 1.412 30.189 28.738 0.064 0.000 1.209 185 Q HN 0.613 nan 8.270 nan 0.000 0.445 186 c N 2.372 121.067 118.600 0.159 0.000 2.239 186 c HA 0.367 4.938 4.570 0.000 0.000 0.325 186 c C 0.926 175.066 174.090 0.084 0.000 1.231 186 c CA -0.692 55.684 56.329 0.079 0.000 1.652 186 c CB 0.197 42.675 42.510 -0.053 0.000 2.284 186 c HN 0.645 nan 8.230 nan 0.000 0.499 187 S N 2.147 117.882 115.700 0.059 0.000 2.548 187 S HA 0.652 5.122 4.470 0.000 0.000 0.277 187 S C 0.308 174.892 174.600 -0.027 0.000 1.315 187 S CA -0.225 57.969 58.200 -0.011 0.000 1.050 187 S CB 0.676 63.881 63.200 0.008 0.000 0.918 187 S HN 0.973 nan 8.310 nan 0.000 0.497 188 A N 2.996 125.620 122.820 -0.327 0.000 2.469 188 A HA 0.825 5.146 4.320 0.000 0.000 0.299 188 A C -0.985 176.424 177.584 -0.292 0.000 1.098 188 A CA -0.703 51.041 52.037 -0.490 0.000 0.737 188 A CB 1.057 19.222 19.000 -1.391 0.000 1.312 188 A HN 0.840 nan 8.150 nan 0.000 0.414 189 I N 1.138 121.638 120.570 -0.117 0.000 2.493 189 I HA 0.639 4.809 4.170 0.000 0.000 0.279 189 I C -0.048 176.129 176.117 0.100 0.000 1.045 189 I CA 0.652 61.965 61.300 0.022 0.000 1.106 189 I CB 0.928 38.947 38.000 0.031 0.000 1.216 189 I HN 1.337 nan 8.210 nan 0.000 0.459 190 G N 6.629 115.523 108.800 0.157 0.000 2.356 190 G HA2 0.144 4.105 3.960 0.000 0.000 0.288 190 G HA3 0.144 4.105 3.960 0.000 0.000 0.288 190 G C -1.758 173.256 174.900 0.190 0.000 1.302 190 G CA -1.003 44.192 45.100 0.157 0.000 0.887 190 G HN 0.793 nan 8.290 nan 0.000 0.521 191 R N -0.835 119.719 120.500 0.090 0.000 2.532 191 R HA 0.772 5.113 4.340 0.000 0.000 0.295 191 R C -0.878 175.355 176.300 -0.111 0.000 0.968 191 R CA -0.159 55.944 56.100 0.004 0.000 0.916 191 R CB 2.028 32.326 30.300 -0.005 0.000 1.124 191 R HN 0.685 nan 8.270 nan 0.000 0.463 192 T N 2.431 116.804 114.554 -0.302 0.000 2.863 192 T HA 0.515 4.866 4.350 0.000 0.000 0.285 192 T C -0.423 174.139 174.700 -0.230 0.000 1.009 192 T CA -0.495 61.376 62.100 -0.381 0.000 0.989 192 T CB 1.332 69.690 68.868 -0.851 0.000 1.004 192 T HN 0.577 nan 8.240 nan 0.000 0.455 193 V N 2.030 121.857 119.914 -0.145 0.000 3.181 193 V HA 0.930 5.051 4.120 0.000 0.000 0.314 193 V C 1.529 177.582 176.094 -0.067 0.000 1.173 193 V CA -0.019 62.228 62.300 -0.087 0.000 1.052 193 V CB 0.719 32.513 31.823 -0.050 0.000 1.123 193 V HN 0.961 nan 8.190 nan 0.000 0.454 194 A N 0.564 123.358 122.820 -0.043 0.000 1.883 194 A HA 0.052 4.373 4.320 0.000 0.000 0.217 194 A C 2.058 179.632 177.584 -0.016 0.000 1.186 194 A CA 2.309 54.328 52.037 -0.029 0.000 0.624 194 A CB -1.544 17.443 19.000 -0.021 0.000 0.822 194 A HN 1.722 nan 8.150 nan 0.000 0.444 195 G N -0.379 108.415 108.800 -0.010 0.000 2.509 195 G HA2 -0.022 3.939 3.960 0.000 0.000 0.218 195 G HA3 -0.022 3.939 3.960 0.000 0.000 0.218 195 G C -0.031 174.880 174.900 0.018 0.000 1.124 195 G CA 0.507 45.609 45.100 0.003 0.000 0.776 195 G HN 0.444 nan 8.290 nan 0.000 0.547 196 D N 0.496 120.906 120.400 0.017 0.000 2.425 196 D HA 0.246 4.887 4.640 0.000 0.000 0.247 196 D C 0.532 176.891 176.300 0.099 0.000 1.147 196 D CA 0.236 54.266 54.000 0.051 0.000 0.879 196 D CB 0.858 41.670 40.800 0.019 0.000 1.179 196 D HN 0.103 nan 8.370 nan 0.000 0.456 197 R N 1.728 122.324 120.500 0.160 0.000 2.297 197 R HA 0.537 4.877 4.340 0.000 0.000 0.308 197 R C -0.622 175.939 176.300 0.435 0.000 1.029 197 R CA -0.656 55.585 56.100 0.234 0.000 0.929 197 R CB 0.734 31.137 30.300 0.171 0.000 1.046 197 R HN 0.234 nan 8.270 nan 0.000 0.461 198 L N 3.662 125.180 121.223 0.491 0.000 2.410 198 L HA 0.594 4.934 4.340 0.000 0.000 0.270 198 L C -1.237 176.115 176.870 0.804 0.000 0.983 198 L CA -0.158 55.047 54.840 0.608 0.000 0.822 198 L CB 1.383 43.747 42.059 0.508 0.000 1.285 198 L HN 0.783 nan 8.230 nan 0.000 0.409 199 W N 3.640 125.081 121.300 0.235 0.000 2.895 199 W HA 0.682 5.342 4.660 0.000 0.000 0.377 199 W C -2.387 173.804 176.519 -0.546 0.000 1.191 199 W CA -1.170 56.208 57.345 0.055 0.000 1.179 199 W CB 0.878 30.364 29.460 0.043 0.000 1.469 199 W HN 0.386 nan 8.180 nan 0.000 0.577 200 L N 2.843 123.779 121.223 -0.479 0.000 2.298 200 L HA 0.458 4.798 4.340 0.000 0.000 0.284 200 L C -0.249 176.486 176.870 -0.225 0.000 1.013 200 L CA -0.644 53.792 54.840 -0.674 0.000 0.824 200 L CB 1.375 43.070 42.059 -0.606 0.000 1.221 200 L HN 0.602 nan 8.230 nan 0.000 0.418 201 Q N 2.972 122.571 119.800 -0.334 0.000 2.230 201 Q HA 0.738 5.079 4.340 0.000 0.000 0.253 201 Q C -0.645 175.335 176.000 -0.033 0.000 0.919 201 Q CA -0.514 55.250 55.803 -0.064 0.000 0.908 201 Q CB 1.641 30.311 28.738 -0.113 0.000 1.245 201 Q HN 0.908 nan 8.270 nan 0.000 0.437 202 G N 2.006 110.790 108.800 -0.027 0.000 2.605 202 G HA2 0.541 4.501 3.960 0.000 0.000 0.296 202 G HA3 0.541 4.501 3.960 0.000 0.000 0.296 202 G C -1.201 173.621 174.900 -0.129 0.000 1.304 202 G CA -0.876 44.091 45.100 -0.222 0.000 0.941 202 G HN 0.720 nan 8.290 nan 0.000 0.475 203 I N -1.514 118.923 120.570 -0.222 0.000 2.331 203 I HA 0.517 4.687 4.170 0.000 0.000 0.292 203 I C -0.192 175.811 176.117 -0.190 0.000 0.998 203 I CA -0.675 60.520 61.300 -0.176 0.000 1.267 203 I CB 1.385 39.244 38.000 -0.236 0.000 1.386 203 I HN 0.469 nan 8.210 nan 0.000 0.476 204 D N 3.408 123.741 120.400 -0.111 0.000 2.751 204 D HA -0.130 4.510 4.640 0.000 0.000 0.233 204 D C -0.602 175.640 176.300 -0.096 0.000 1.149 204 D CA 0.975 54.922 54.000 -0.089 0.000 0.682 204 D CB -1.170 39.577 40.800 -0.089 0.000 1.068 204 D HN 0.463 nan 8.370 nan 0.000 0.429 205 V N -1.137 118.714 119.914 -0.105 0.000 3.204 205 V HA 0.313 4.433 4.120 0.000 0.000 0.298 205 V C 0.569 176.665 176.094 0.003 0.000 1.328 205 V CA -1.233 61.030 62.300 -0.061 0.000 1.035 205 V CB 2.198 33.946 31.823 -0.126 0.000 1.095 205 V HN -0.057 nan 8.190 nan 0.000 0.442 206 R N 1.349 121.890 120.500 0.069 0.000 2.502 206 R HA 0.135 4.476 4.340 0.000 0.000 0.292 206 R C -0.719 175.677 176.300 0.159 0.000 0.998 206 R CA -0.063 56.096 56.100 0.097 0.000 1.056 206 R CB 0.065 30.424 30.300 0.099 0.000 0.939 206 R HN 0.653 nan 8.270 nan 0.000 0.411 207 D N 1.434 121.919 120.400 0.141 0.000 2.372 207 D HA 0.216 4.856 4.640 0.000 0.000 0.243 207 D C -0.165 176.250 176.300 0.191 0.000 1.121 207 D CA 0.289 54.408 54.000 0.198 0.000 0.898 207 D CB 1.077 42.015 40.800 0.230 0.000 1.202 207 D HN 0.538 nan 8.370 nan 0.000 0.428 208 A N 2.388 125.330 122.820 0.204 0.000 2.311 208 A HA 0.733 5.053 4.320 0.000 0.000 0.334 208 A C -2.446 175.303 177.584 0.275 0.000 1.139 208 A CA -1.234 50.920 52.037 0.194 0.000 0.830 208 A CB 1.082 20.185 19.000 0.171 0.000 1.234 208 A HN 0.418 nan 8.150 nan 0.000 0.483 209 P HA 0.403 nan 4.420 nan 0.000 0.283 209 P C -0.689 176.860 177.300 0.414 0.000 1.278 209 P CA -0.726 62.567 63.100 0.321 0.000 0.834 209 P CB 0.811 32.610 31.700 0.165 0.000 1.150 210 L N 1.292 122.732 121.223 0.362 0.000 2.513 210 L HA 0.026 4.366 4.340 0.000 0.000 0.272 210 L C 1.431 178.238 176.870 -0.105 0.000 1.187 210 L CA 0.713 55.541 54.840 -0.020 0.000 0.895 210 L CB -0.302 41.774 42.059 0.029 0.000 1.147 210 L HN 0.346 nan 8.230 nan 0.000 0.483 211 K N 3.977 124.229 120.400 -0.246 0.000 2.063 211 K HA 0.121 4.442 4.320 0.000 0.000 0.204 211 K C -0.073 176.442 176.600 -0.142 0.000 1.039 211 K CA 1.561 57.757 56.287 -0.150 0.000 0.957 211 K CB 0.183 32.599 32.500 -0.139 0.000 0.764 211 K HN 0.838 nan 8.250 nan 0.000 0.447 212 E N -1.210 118.879 120.200 -0.185 0.000 2.445 212 E HA 0.369 4.719 4.350 0.000 0.000 0.279 212 E C -1.319 175.215 176.600 -0.110 0.000 1.018 212 E CA -0.957 55.375 56.400 -0.114 0.000 0.816 212 E CB 1.288 30.949 29.700 -0.066 0.000 1.356 212 E HN 0.095 nan 8.360 nan 0.000 0.462 213 I N 0.525 121.076 120.570 -0.032 0.000 2.533 213 I HA 0.412 4.582 4.170 0.000 0.000 0.290 213 I C -1.606 174.550 176.117 0.065 0.000 1.056 213 I CA -0.816 60.512 61.300 0.046 0.000 1.057 213 I CB 1.497 39.525 38.000 0.048 0.000 1.240 213 I HN 0.490 nan 8.210 nan 0.000 0.423 214 K N 7.594 128.066 120.400 0.120 0.000 2.483 214 K HA 0.387 4.707 4.320 0.000 0.000 0.256 214 K C -0.975 175.718 176.600 0.154 0.000 0.961 214 K CA -0.716 55.631 56.287 0.100 0.000 0.873 214 K CB 2.179 34.723 32.500 0.073 0.000 1.107 214 K HN 0.458 nan 8.250 nan 0.000 0.432 215 V N 0.932 120.914 119.914 0.112 0.000 2.322 215 V HA 0.101 4.222 4.120 0.000 0.000 0.258 215 V C 0.935 177.087 176.094 0.097 0.000 1.074 215 V CA -0.440 61.935 62.300 0.124 0.000 0.909 215 V CB 0.393 32.245 31.823 0.048 0.000 1.090 215 V HN 0.677 nan 8.190 nan 0.000 0.486 216 T N 2.729 117.353 114.554 0.116 0.000 2.904 216 T HA 0.046 4.396 4.350 0.000 0.000 0.267 216 T C 0.845 175.586 174.700 0.068 0.000 1.059 216 T CA 1.422 63.569 62.100 0.079 0.000 1.137 216 T CB -0.092 68.820 68.868 0.074 0.000 0.879 216 T HN 0.999 nan 8.240 nan 0.000 0.467 217 S N -0.767 114.983 115.700 0.083 0.000 2.655 217 S HA 0.392 4.862 4.470 0.000 0.000 0.266 217 S C 0.871 175.513 174.600 0.070 0.000 1.149 217 S CA -0.143 58.095 58.200 0.063 0.000 0.818 217 S CB 1.137 64.369 63.200 0.053 0.000 1.130 217 S HN -0.073 nan 8.310 nan 0.000 0.476 218 S N -0.114 115.616 115.700 0.049 0.000 2.440 218 S HA -0.094 4.376 4.470 0.000 0.000 0.238 218 S C 1.438 176.079 174.600 0.067 0.000 1.010 218 S CA 1.122 59.349 58.200 0.045 0.000 0.972 218 S CB -0.504 62.714 63.200 0.030 0.000 0.774 218 S HN 0.559 nan 8.310 nan 0.000 0.501 219 R N 0.727 121.272 120.500 0.076 0.000 2.237 219 R HA 0.214 4.554 4.340 0.000 0.000 0.195 219 R C 0.410 176.780 176.300 0.117 0.000 0.956 219 R CA 0.354 56.503 56.100 0.082 0.000 1.029 219 R CB 0.219 30.553 30.300 0.056 0.000 0.972 219 R HN 0.591 nan 8.270 nan 0.000 0.493 220 R N -0.227 120.361 120.500 0.147 0.000 2.634 220 R HA 0.318 4.658 4.340 0.000 0.000 0.263 220 R C -1.144 175.307 176.300 0.252 0.000 1.060 220 R CA -0.723 55.477 56.100 0.167 0.000 0.898 220 R CB 1.099 31.436 30.300 0.062 0.000 1.253 220 R HN -0.082 nan 8.270 nan 0.000 0.461 221 F N -0.352 119.627 119.950 0.048 0.000 2.664 221 F HA 0.795 5.322 4.527 0.000 0.000 0.317 221 F C -1.377 174.476 175.800 0.088 0.000 1.108 221 F CA -1.471 56.562 58.000 0.057 0.000 0.957 221 F CB 1.728 40.758 39.000 0.050 0.000 1.365 221 F HN 0.341 nan 8.300 nan 0.000 0.475 222 I N 2.034 122.705 120.570 0.168 0.000 2.468 222 I HA 0.602 4.772 4.170 0.000 0.000 0.285 222 I C -0.818 175.407 176.117 0.180 0.000 1.039 222 I CA -0.969 60.377 61.300 0.076 0.000 1.074 222 I CB 1.830 39.866 38.000 0.059 0.000 1.228 222 I HN 0.932 nan 8.210 nan 0.000 0.436 223 A N 4.739 127.673 122.820 0.190 0.000 2.292 223 A HA 0.791 5.111 4.320 0.000 0.000 0.319 223 A C -0.348 177.179 177.584 -0.095 0.000 1.206 223 A CA -0.356 51.736 52.037 0.090 0.000 0.835 223 A CB 0.881 20.054 19.000 0.288 0.000 1.164 223 A HN 0.602 nan 8.150 nan 0.000 0.505 224 S N 0.927 116.442 115.700 -0.309 0.000 2.509 224 S HA 0.794 5.264 4.470 0.000 0.000 0.297 224 S C -1.066 173.209 174.600 -0.543 0.000 1.118 224 S CA -0.130 57.938 58.200 -0.220 0.000 1.074 224 S CB 0.532 63.681 63.200 -0.085 0.000 1.038 224 S HN 0.471 nan 8.310 nan 0.000 0.498 225 F N 1.680 121.690 119.950 0.100 0.000 2.557 225 F HA 0.444 4.972 4.527 0.000 0.000 0.316 225 F C -0.067 175.811 175.800 0.129 0.000 1.141 225 F CA -0.942 57.117 58.000 0.098 0.000 0.922 225 F CB 1.563 40.610 39.000 0.079 0.000 1.194 225 F HN 0.330 nan 8.300 nan 0.000 0.443 226 N N 1.958 120.785 118.700 0.210 0.000 2.392 226 N HA 0.472 5.212 4.740 0.000 0.000 0.283 226 N C -1.043 174.556 175.510 0.148 0.000 1.003 226 N CA -0.474 52.665 53.050 0.148 0.000 0.892 226 N CB 2.369 40.803 38.487 -0.088 0.000 1.193 226 N HN 0.242 nan 8.380 nan 0.000 0.487 227 V N 2.209 122.232 119.914 0.181 0.000 2.406 227 V HA 0.284 4.404 4.120 0.000 0.000 0.272 227 V C 0.427 176.619 176.094 0.163 0.000 1.043 227 V CA -0.636 61.745 62.300 0.135 0.000 0.915 227 V CB 1.453 33.327 31.823 0.086 0.000 0.988 227 V HN 0.309 nan 8.190 nan 0.000 0.466 228 V N 5.254 125.242 119.914 0.124 0.000 2.732 228 V HA 0.483 4.603 4.120 0.000 0.000 0.310 228 V C 0.707 176.875 176.094 0.124 0.000 1.053 228 V CA -0.644 61.734 62.300 0.130 0.000 0.957 228 V CB 1.583 33.434 31.823 0.047 0.000 1.018 228 V HN 1.094 nan 8.190 nan 0.000 0.452 229 N N 2.757 121.540 118.700 0.138 0.000 2.678 229 N HA -0.170 4.570 4.740 0.000 0.000 0.268 229 N C 0.010 175.569 175.510 0.082 0.000 1.010 229 N CA 1.142 54.251 53.050 0.098 0.000 0.784 229 N CB -0.651 37.879 38.487 0.072 0.000 0.905 229 N HN 1.001 nan 8.380 nan 0.000 0.552 230 T N -1.162 113.443 114.554 0.085 0.000 2.918 230 T HA 0.546 4.896 4.350 0.000 0.000 0.302 230 T C 0.681 175.415 174.700 0.057 0.000 1.045 230 T CA -0.302 61.843 62.100 0.076 0.000 1.114 230 T CB 1.585 70.495 68.868 0.071 0.000 0.965 230 T HN 0.248 nan 8.240 nan 0.000 0.540 231 T N 0.715 115.306 114.554 0.061 0.000 2.858 231 T HA 0.413 4.763 4.350 0.000 0.000 0.285 231 T C 1.112 175.844 174.700 0.053 0.000 1.052 231 T CA -1.143 60.986 62.100 0.048 0.000 1.009 231 T CB 1.840 70.734 68.868 0.044 0.000 1.241 231 T HN 0.504 nan 8.240 nan 0.000 0.542 232 K N 0.064 120.489 120.400 0.042 0.000 2.283 232 K HA -0.007 4.313 4.320 0.000 0.000 0.202 232 K C 2.078 178.707 176.600 0.048 0.000 1.048 232 K CA 0.899 57.211 56.287 0.042 0.000 0.948 232 K CB -0.053 32.464 32.500 0.028 0.000 0.742 232 K HN 0.224 nan 8.250 nan 0.000 0.458 233 R N 0.936 121.464 120.500 0.047 0.000 2.237 233 R HA -0.071 4.269 4.340 0.000 0.000 0.219 233 R C 1.248 177.592 176.300 0.072 0.000 1.080 233 R CA 1.012 57.140 56.100 0.047 0.000 0.995 233 R CB 0.007 30.330 30.300 0.039 0.000 0.875 233 R HN 0.169 nan 8.270 nan 0.000 0.462 234 D N 0.165 120.627 120.400 0.103 0.000 2.249 234 D HA 0.055 4.696 4.640 0.000 0.000 0.205 234 D C 0.229 176.669 176.300 0.233 0.000 0.962 234 D CA 0.574 54.678 54.000 0.173 0.000 0.860 234 D CB -0.153 40.750 40.800 0.172 0.000 0.955 234 D HN 0.164 nan 8.370 nan 0.000 0.505 235 A N 0.359 123.277 122.820 0.162 0.000 2.546 235 A HA 0.493 4.813 4.320 0.000 0.000 0.243 235 A C 0.932 178.598 177.584 0.136 0.000 1.063 235 A CA 0.983 53.123 52.037 0.171 0.000 0.757 235 A CB 0.118 19.177 19.000 0.098 0.000 0.991 235 A HN 0.288 nan 8.150 nan 0.000 0.503 236 G N 1.453 110.361 108.800 0.180 0.000 2.356 236 G HA2 0.426 4.386 3.960 0.000 0.000 0.281 236 G HA3 0.426 4.386 3.960 0.000 0.000 0.281 236 G C -1.275 173.615 174.900 -0.016 0.000 1.246 236 G CA -0.840 44.257 45.100 -0.006 0.000 0.889 236 G HN 0.687 nan 8.290 nan 0.000 0.486 237 K N -0.298 119.947 120.400 -0.257 0.000 2.156 237 K HA 0.725 5.045 4.320 0.000 0.000 0.271 237 K C -1.563 174.818 176.600 -0.366 0.000 0.995 237 K CA -0.250 55.899 56.287 -0.229 0.000 0.890 237 K CB 1.192 33.401 32.500 -0.485 0.000 1.073 237 K HN 0.449 nan 8.250 nan 0.000 0.454 238 Y N 1.046 121.373 120.300 0.045 0.000 2.553 238 Y HA 0.507 5.057 4.550 0.000 0.000 0.347 238 Y C -0.330 175.479 175.900 -0.152 0.000 1.019 238 Y CA -1.072 56.955 58.100 -0.123 0.000 1.032 238 Y CB 2.075 40.174 38.460 -0.601 0.000 1.284 238 Y HN 0.464 nan 8.280 nan 0.000 0.466 239 R N 0.176 120.549 120.500 -0.212 0.000 2.698 239 R HA 0.813 5.153 4.340 0.000 0.000 0.275 239 R C -1.652 174.264 176.300 -0.640 0.000 1.001 239 R CA -0.737 55.084 56.100 -0.465 0.000 0.896 239 R CB 0.894 30.780 30.300 -0.690 0.000 1.218 239 R HN 0.655 nan 8.270 nan 0.000 0.462 240 c N 2.619 120.756 118.600 -0.772 0.000 2.657 240 c HA 0.529 5.100 4.570 0.000 0.000 0.404 240 c C 0.202 173.731 174.090 -0.934 0.000 1.291 240 c CA -0.587 55.096 56.329 -1.075 0.000 2.218 240 c CB 0.086 41.725 42.510 -1.452 0.000 2.687 240 c HN 0.658 nan 8.230 nan 0.000 0.634 241 M N 3.014 122.074 119.600 -0.899 0.000 2.457 241 M HA 0.619 5.100 4.480 0.000 0.000 0.300 241 M C -0.880 175.294 176.300 -0.209 0.000 1.141 241 M CA -0.466 54.382 55.300 -0.752 0.000 0.901 241 M CB 1.792 33.205 32.600 -1.977 0.000 1.687 241 M HN 0.778 nan 8.290 nan 0.000 0.449 242 I N 1.786 122.388 120.570 0.054 0.000 2.571 242 I HA 0.532 4.702 4.170 0.000 0.000 0.289 242 I C -1.270 174.945 176.117 0.163 0.000 1.115 242 I CA -0.461 60.960 61.300 0.203 0.000 1.045 242 I CB 2.157 40.305 38.000 0.245 0.000 1.238 242 I HN 0.818 nan 8.210 nan 0.000 0.424 243 R N 5.064 125.732 120.500 0.280 0.000 2.437 243 R HA 0.670 5.010 4.340 0.000 0.000 0.310 243 R C -0.881 175.518 176.300 0.164 0.000 0.955 243 R CA -0.274 55.976 56.100 0.250 0.000 0.851 243 R CB 1.570 32.070 30.300 0.333 0.000 1.161 243 R HN 0.755 nan 8.270 nan 0.000 0.446 244 T N -0.929 113.699 114.554 0.123 0.000 2.940 244 T HA 0.217 4.567 4.350 0.000 0.000 0.288 244 T C 0.890 175.644 174.700 0.090 0.000 1.045 244 T CA -0.883 61.263 62.100 0.077 0.000 1.018 244 T CB 1.690 70.581 68.868 0.039 0.000 1.151 244 T HN 0.689 nan 8.240 nan 0.000 0.529 245 E N 0.563 120.801 120.200 0.064 0.000 2.219 245 E HA -0.071 4.279 4.350 0.000 0.000 0.198 245 E C 1.594 178.251 176.600 0.095 0.000 0.998 245 E CA 1.285 57.727 56.400 0.069 0.000 0.818 245 E CB -0.551 29.175 29.700 0.044 0.000 0.741 245 E HN 0.889 nan 8.360 nan 0.000 0.477 246 G N -0.794 108.056 108.800 0.083 0.000 3.651 246 G HA2 0.467 4.427 3.960 0.000 0.000 0.279 246 G HA3 0.467 4.427 3.960 0.000 0.000 0.279 246 G C 0.061 175.009 174.900 0.079 0.000 1.024 246 G CA 0.202 45.348 45.100 0.078 0.000 0.813 246 G HN 0.398 nan 8.290 nan 0.000 0.518 247 G N -1.300 107.577 108.800 0.128 0.000 2.321 247 G HA2 0.451 4.412 3.960 0.000 0.000 0.296 247 G HA3 0.451 4.412 3.960 0.000 0.000 0.296 247 G C -2.206 172.794 174.900 0.166 0.000 1.287 247 G CA -0.306 44.868 45.100 0.123 0.000 0.846 247 G HN 0.555 nan 8.290 nan 0.000 0.508 248 V N -0.172 119.813 119.914 0.118 0.000 2.733 248 V HA 0.798 4.919 4.120 0.000 0.000 0.306 248 V C 0.417 176.493 176.094 -0.030 0.000 1.084 248 V CA 0.181 62.546 62.300 0.109 0.000 0.905 248 V CB 1.959 33.924 31.823 0.237 0.000 1.010 248 V HN 1.549 nan 8.190 nan 0.000 0.424 249 G N 4.695 113.450 108.800 -0.075 0.000 2.416 249 G HA2 0.810 4.770 3.960 0.000 0.000 0.329 249 G HA3 0.810 4.770 3.960 0.000 0.000 0.329 249 G C -0.963 173.947 174.900 0.016 0.000 1.173 249 G CA -0.586 44.419 45.100 -0.157 0.000 0.929 249 G HN 0.944 nan 8.290 nan 0.000 0.475 250 I N -0.147 120.428 120.570 0.008 0.000 2.647 250 I HA 0.731 4.901 4.170 0.000 0.000 0.295 250 I C 0.170 176.308 176.117 0.035 0.000 1.078 250 I CA -0.940 60.345 61.300 -0.025 0.000 1.048 250 I CB 2.366 40.221 38.000 -0.242 0.000 1.239 250 I HN 0.534 nan 8.210 nan 0.000 0.421 251 S N 3.933 119.566 115.700 -0.112 0.000 2.661 251 S HA 0.325 4.795 4.470 0.000 0.000 0.265 251 S C 0.229 174.689 174.600 -0.233 0.000 1.225 251 S CA -0.701 57.419 58.200 -0.132 0.000 0.986 251 S CB 0.653 63.661 63.200 -0.321 0.000 1.008 251 S HN 0.885 nan 8.310 nan 0.000 0.565 252 N N -0.250 118.370 118.700 -0.133 0.000 2.326 252 N HA 0.024 4.764 4.740 0.000 0.000 0.239 252 N C -0.845 174.541 175.510 -0.206 0.000 1.301 252 N CA -0.034 52.932 53.050 -0.140 0.000 0.909 252 N CB -0.427 38.070 38.487 0.016 0.000 1.156 252 N HN 0.676 nan 8.380 nan 0.000 0.462 253 Y N -1.017 119.239 120.300 -0.075 0.000 2.326 253 Y HA 0.413 4.963 4.550 0.000 0.000 0.333 253 Y C 0.630 176.528 175.900 -0.003 0.000 1.240 253 Y CA -0.110 57.948 58.100 -0.069 0.000 1.365 253 Y CB 0.766 39.179 38.460 -0.077 0.000 1.289 253 Y HN 0.763 nan 8.280 nan 0.000 0.548 254 A N 2.522 125.492 122.820 0.251 0.000 2.488 254 A HA 0.510 4.830 4.320 0.000 0.000 0.298 254 A C -1.153 176.633 177.584 0.336 0.000 1.044 254 A CA -0.872 51.319 52.037 0.257 0.000 0.693 254 A CB 1.155 20.334 19.000 0.298 0.000 1.272 254 A HN 0.707 nan 8.150 nan 0.000 0.402 255 E N 1.051 121.408 120.200 0.260 0.000 2.259 255 E HA 0.443 4.793 4.350 0.000 0.000 0.281 255 E C -1.072 175.708 176.600 0.301 0.000 1.027 255 E CA -0.503 56.044 56.400 0.246 0.000 0.838 255 E CB 0.916 30.693 29.700 0.128 0.000 1.066 255 E HN 0.548 nan 8.360 nan 0.000 0.401 256 L N 6.037 127.499 121.223 0.400 0.000 2.260 256 L HA 0.282 4.622 4.340 0.000 0.000 0.289 256 L C -1.322 175.651 176.870 0.173 0.000 1.057 256 L CA -0.421 54.593 54.840 0.289 0.000 0.811 256 L CB 1.229 43.512 42.059 0.373 0.000 1.184 256 L HN 0.356 nan 8.230 nan 0.000 0.429 257 V N 6.581 126.547 119.914 0.086 0.000 2.318 257 V HA 0.284 4.404 4.120 0.000 0.000 0.271 257 V C -0.092 176.022 176.094 0.033 0.000 1.030 257 V CA -0.640 61.692 62.300 0.054 0.000 0.844 257 V CB 1.332 33.173 31.823 0.030 0.000 1.015 257 V HN 0.468 nan 8.190 nan 0.000 0.460 258 V N 6.439 126.379 119.914 0.044 0.000 2.320 258 V HA 0.311 4.431 4.120 0.000 0.000 0.265 258 V C 0.416 176.520 176.094 0.018 0.000 1.048 258 V CA -0.601 61.716 62.300 0.030 0.000 0.865 258 V CB 0.479 32.331 31.823 0.049 0.000 1.043 258 V HN 0.760 nan 8.190 nan 0.000 0.474 259 K N 3.307 123.709 120.400 0.003 0.000 2.110 259 K HA 0.455 4.775 4.320 0.000 0.000 0.263 259 K C 0.006 176.604 176.600 -0.004 0.000 0.975 259 K CA -0.589 55.697 56.287 -0.000 0.000 0.895 259 K CB 2.057 34.553 32.500 -0.007 0.000 1.060 259 K HN 0.731 nan 8.250 nan 0.000 0.448 260 E N 3.889 124.088 120.200 -0.002 0.000 2.146 260 E HA 0.216 4.566 4.350 0.000 0.000 0.282 260 E C -2.412 174.184 176.600 -0.007 0.000 0.989 260 E CA -2.276 54.122 56.400 -0.002 0.000 0.799 260 E CB 0.899 30.601 29.700 0.002 0.000 1.088 260 E HN 0.133 nan 8.360 nan 0.000 0.397 261 P HA 0.054 nan 4.420 nan 0.000 0.266 261 P C -2.550 174.744 177.300 -0.010 0.000 1.193 261 P CA -0.854 62.237 63.100 -0.014 0.000 0.770 261 P CB -0.016 31.674 31.700 -0.017 0.000 0.836 262 P HA 0.162 nan 4.420 nan 0.000 0.275 262 P C -0.870 176.426 177.300 -0.008 0.000 1.227 262 P CA 0.233 63.328 63.100 -0.009 0.000 0.781 262 P CB 0.574 32.268 31.700 -0.010 0.000 0.906 263 V N 4.903 124.814 119.914 -0.004 0.000 2.760 263 V HA 0.413 4.534 4.120 0.000 0.000 0.309 263 V C -2.445 173.650 176.094 0.002 0.000 1.077 263 V CA -2.168 60.131 62.300 -0.002 0.000 0.910 263 V CB 2.358 34.181 31.823 -0.000 0.000 1.008 263 V HN 0.454 nan 8.190 nan 0.000 0.424 264 P HA 0.406 nan 4.420 nan 0.000 0.280 264 P C 0.865 178.171 177.300 0.010 0.000 1.244 264 P CA -0.107 62.998 63.100 0.008 0.000 0.784 264 P CB 1.015 32.721 31.700 0.010 0.000 0.913 265 I N 1.071 121.647 120.570 0.011 0.000 2.142 265 I HA -0.140 4.031 4.170 0.000 0.000 0.240 265 I C 1.232 177.358 176.117 0.014 0.000 1.078 265 I CA 1.546 62.853 61.300 0.012 0.000 1.343 265 I CB -0.280 37.726 38.000 0.011 0.000 1.046 265 I HN 0.360 nan 8.210 nan 0.000 0.405 266 A N 0.457 123.288 122.820 0.017 0.000 2.384 266 A HA 0.662 4.982 4.320 0.000 0.000 0.312 266 A C -2.423 175.177 177.584 0.026 0.000 1.113 266 A CA -1.471 50.578 52.037 0.021 0.000 0.779 266 A CB 0.662 19.675 19.000 0.021 0.000 1.307 266 A HN -0.092 nan 8.150 nan 0.000 0.436 267 P HA 0.328 nan 4.420 nan 0.000 0.275 267 P C -2.806 174.520 177.300 0.044 0.000 1.266 267 P CA -1.381 61.741 63.100 0.037 0.000 0.793 267 P CB -0.372 31.351 31.700 0.039 0.000 1.074 268 P HA 0.137 nan 4.420 nan 0.000 0.276 268 P C -0.107 177.234 177.300 0.068 0.000 1.243 268 P CA 0.135 63.275 63.100 0.065 0.000 0.768 268 P CB 0.519 32.267 31.700 0.080 0.000 0.856 269 Q N 1.396 121.236 119.800 0.067 0.000 2.392 269 Q HA 0.152 4.492 4.340 0.000 0.000 0.262 269 Q C -0.152 175.895 176.000 0.080 0.000 1.003 269 Q CA -0.387 55.455 55.803 0.064 0.000 0.888 269 Q CB 0.642 29.413 28.738 0.056 0.000 1.260 269 Q HN 0.383 nan 8.270 nan 0.000 0.435 270 L N 1.690 122.957 121.223 0.072 0.000 2.260 270 L HA 0.300 4.641 4.340 0.000 0.000 0.289 270 L C 0.283 177.205 176.870 0.087 0.000 1.057 270 L CA 0.442 55.332 54.840 0.083 0.000 0.811 270 L CB 0.773 42.872 42.059 0.066 0.000 1.184 270 L HN 0.748 nan 8.230 nan 0.000 0.429 271 A N 3.657 126.552 122.820 0.126 0.000 1.871 271 A HA 0.364 4.684 4.320 0.000 0.000 0.211 271 A C 0.758 178.402 177.584 0.101 0.000 1.207 271 A CA 1.030 53.133 52.037 0.109 0.000 0.620 271 A CB -0.300 18.788 19.000 0.147 0.000 0.860 271 A HN 0.897 nan 8.150 nan 0.000 0.450 272 S N -2.258 113.551 115.700 0.181 0.000 2.547 272 S HA 0.581 5.051 4.470 0.000 0.000 0.270 272 S C -1.202 173.486 174.600 0.147 0.000 1.150 272 S CA -0.598 57.697 58.200 0.159 0.000 0.850 272 S CB 1.351 64.655 63.200 0.173 0.000 1.118 272 S HN 0.513 nan 8.310 nan 0.000 0.461 273 V N 1.468 121.396 119.914 0.024 0.000 2.547 273 V HA 0.883 5.004 4.120 0.000 0.000 0.299 273 V C 0.929 176.792 176.094 -0.385 0.000 1.040 273 V CA 0.200 62.416 62.300 -0.140 0.000 0.913 273 V CB 1.349 33.124 31.823 -0.079 0.000 0.992 273 V HN 1.280 nan 8.190 nan 0.000 0.449 274 G N 1.330 109.616 108.800 -0.857 0.000 2.816 274 G HA2 0.626 4.586 3.960 0.000 0.000 0.288 274 G HA3 0.626 4.586 3.960 0.000 0.000 0.288 274 G C 0.587 175.177 174.900 -0.516 0.000 1.334 274 G CA 0.051 44.454 45.100 -1.162 0.000 0.978 274 G HN 0.863 nan 8.290 nan 0.000 0.493 275 A N -0.825 121.836 122.820 -0.265 0.000 1.854 275 A HA 0.127 4.447 4.320 0.000 0.000 0.214 275 A C 2.144 179.687 177.584 -0.068 0.000 1.192 275 A CA 2.612 54.590 52.037 -0.099 0.000 0.611 275 A CB -0.693 18.285 19.000 -0.036 0.000 0.832 275 A HN 1.195 nan 8.150 nan 0.000 0.442 276 T N -3.646 110.890 114.554 -0.030 0.000 3.129 276 T HA 0.476 4.826 4.350 0.000 0.000 0.267 276 T C 0.035 174.747 174.700 0.021 0.000 1.018 276 T CA 0.148 62.252 62.100 0.006 0.000 0.903 276 T CB -0.528 68.336 68.868 -0.008 0.000 1.067 276 T HN 0.689 nan 8.240 nan 0.000 0.549 277 Y N -0.896 119.317 120.300 -0.145 0.000 2.829 277 Y HA 0.818 5.368 4.550 0.000 0.000 0.322 277 Y C -2.120 173.652 175.900 -0.212 0.000 1.357 277 Y CA -2.373 55.590 58.100 -0.229 0.000 1.081 277 Y CB 1.065 39.377 38.460 -0.248 0.000 1.339 277 Y HN -0.053 nan 8.280 nan 0.000 0.469 278 L N 1.488 122.659 121.223 -0.087 0.000 2.845 278 L HA 0.289 4.630 4.340 0.000 0.000 0.253 278 L C -2.177 174.651 176.870 -0.070 0.000 0.959 278 L CA -0.624 54.143 54.840 -0.122 0.000 1.001 278 L CB 0.959 42.879 42.059 -0.232 0.000 1.374 278 L HN 0.769 nan 8.230 nan 0.000 0.469 279 W N 6.051 127.407 121.300 0.094 0.000 2.311 279 W HA 0.621 5.281 4.660 0.000 0.000 0.310 279 W C 0.581 177.119 176.519 0.032 0.000 1.274 279 W CA -0.164 57.209 57.345 0.047 0.000 1.215 279 W CB 0.950 30.454 29.460 0.074 0.000 1.227 279 W HN 0.431 nan 8.180 nan 0.000 0.523 280 I N 0.316 121.057 120.570 0.285 0.000 3.170 280 I HA 0.611 4.781 4.170 0.000 0.000 0.312 280 I C -0.851 175.410 176.117 0.240 0.000 1.085 280 I CA -1.566 59.864 61.300 0.217 0.000 0.999 280 I CB 2.027 40.120 38.000 0.155 0.000 1.233 280 I HN 0.171 nan 8.210 nan 0.000 0.467 281 Q N 2.472 122.373 119.800 0.168 0.000 2.368 281 Q HA 0.540 4.880 4.340 0.000 0.000 0.263 281 Q C -1.455 174.615 176.000 0.117 0.000 1.009 281 Q CA -0.410 55.478 55.803 0.142 0.000 0.818 281 Q CB 1.440 30.237 28.738 0.099 0.000 1.239 281 Q HN 0.671 nan 8.270 nan 0.000 0.464 282 L N 4.227 125.523 121.223 0.121 0.000 2.500 282 L HA 0.121 4.461 4.340 0.000 0.000 0.272 282 L C 0.791 177.698 176.870 0.061 0.000 1.149 282 L CA -0.408 54.480 54.840 0.081 0.000 0.897 282 L CB 0.185 42.282 42.059 0.062 0.000 1.178 282 L HN 0.696 nan 8.230 nan 0.000 0.473 283 N N 3.314 122.044 118.700 0.050 0.000 2.131 283 N HA -0.057 4.683 4.740 0.000 0.000 0.190 283 N C 1.527 177.054 175.510 0.029 0.000 1.055 283 N CA 1.152 54.225 53.050 0.038 0.000 0.853 283 N CB -0.316 38.192 38.487 0.034 0.000 1.035 283 N HN 0.737 nan 8.380 nan 0.000 0.440 284 A N 0.358 123.192 122.820 0.023 0.000 2.677 284 A HA -0.301 4.019 4.320 0.000 0.000 0.314 284 A C 1.323 178.914 177.584 0.012 0.000 1.510 284 A CA 1.626 53.672 52.037 0.015 0.000 1.018 284 A CB -2.078 16.927 19.000 0.010 0.000 0.911 284 A HN 0.608 nan 8.150 nan 0.000 0.498 285 N N -0.988 117.721 118.700 0.014 0.000 2.508 285 N HA 0.017 4.757 4.740 0.000 0.000 0.186 285 N C 0.133 175.649 175.510 0.010 0.000 1.034 285 N CA 0.682 53.739 53.050 0.012 0.000 0.885 285 N CB 0.413 38.909 38.487 0.015 0.000 1.135 285 N HN 0.458 nan 8.380 nan 0.000 0.435 286 S N 2.446 118.153 115.700 0.011 0.000 2.443 286 S HA 0.262 4.732 4.470 0.000 0.000 0.284 286 S C 0.334 174.939 174.600 0.009 0.000 1.206 286 S CA -0.279 57.927 58.200 0.010 0.000 1.074 286 S CB 0.008 63.214 63.200 0.011 0.000 0.963 286 S HN 0.331 nan 8.310 nan 0.000 0.501 287 I N 0.257 120.831 120.570 0.007 0.000 3.002 287 I HA 0.594 4.764 4.170 0.000 0.000 0.310 287 I C 0.337 176.457 176.117 0.004 0.000 1.087 287 I CA -1.047 60.257 61.300 0.005 0.000 1.017 287 I CB 1.857 39.859 38.000 0.002 0.000 1.226 287 I HN 0.243 nan 8.210 nan 0.000 0.443 288 N N 1.419 120.121 118.700 0.003 0.000 2.368 288 N HA 0.234 4.974 4.740 0.000 0.000 0.178 288 N C 0.663 176.175 175.510 0.002 0.000 1.076 288 N CA 0.692 53.744 53.050 0.004 0.000 0.889 288 N CB 0.878 39.368 38.487 0.004 0.000 1.040 288 N HN 0.914 nan 8.380 nan 0.000 0.463 289 G N -0.200 108.600 108.800 0.001 0.000 3.182 289 G HA2 0.354 4.314 3.960 0.000 0.000 0.167 289 G HA3 0.354 4.314 3.960 0.000 0.000 0.167 289 G C -0.767 174.133 174.900 -0.000 0.000 1.537 289 G CA 0.150 45.250 45.100 -0.000 0.000 1.046 289 G HN 0.383 nan 8.290 nan 0.000 0.580 290 D N -3.810 116.588 120.400 -0.003 0.000 2.692 290 D HA 0.548 5.188 4.640 0.000 0.000 0.303 290 D C -0.084 176.212 176.300 -0.006 0.000 1.278 290 D CA 0.221 54.219 54.000 -0.003 0.000 0.852 290 D CB 0.810 41.609 40.800 -0.001 0.000 1.375 290 D HN 1.746 nan 8.370 nan 0.000 0.453 291 G N -0.866 107.931 108.800 -0.005 0.000 2.612 291 G HA2 0.191 4.152 3.960 0.000 0.000 0.686 291 G HA3 0.191 4.152 3.960 0.000 0.000 0.686 291 G C -2.856 172.039 174.900 -0.008 0.000 1.274 291 G CA -0.649 44.447 45.100 -0.008 0.000 0.849 291 G HN 0.690 nan 8.290 nan 0.000 0.595 292 P HA 0.451 nan 4.420 nan 0.000 0.276 292 P C -0.187 177.106 177.300 -0.011 0.000 1.253 292 P CA -0.225 62.870 63.100 -0.009 0.000 0.766 292 P CB 0.691 32.385 31.700 -0.009 0.000 0.845 293 I N 4.459 125.023 120.570 -0.010 0.000 2.505 293 I HA -0.086 4.084 4.170 0.000 0.000 0.287 293 I C 1.643 177.752 176.117 -0.013 0.000 1.104 293 I CA 0.398 61.690 61.300 -0.013 0.000 1.387 293 I CB 0.712 38.706 38.000 -0.011 0.000 1.404 293 I HN 0.247 nan 8.210 nan 0.000 0.528 294 V N 3.272 123.175 119.914 -0.017 0.000 3.528 294 V HA 0.771 4.891 4.120 0.000 0.000 0.294 294 V C 0.522 176.604 176.094 -0.020 0.000 1.404 294 V CA 0.317 62.607 62.300 -0.017 0.000 1.065 294 V CB -0.474 31.338 31.823 -0.018 0.000 0.904 294 V HN 0.743 nan 8.190 nan 0.000 0.435 295 A N 0.748 123.554 122.820 -0.024 0.000 2.565 295 A HA 0.855 5.176 4.320 0.000 0.000 0.298 295 A C -0.908 176.654 177.584 -0.037 0.000 1.062 295 A CA -0.860 51.159 52.037 -0.031 0.000 0.723 295 A CB 1.371 20.352 19.000 -0.032 0.000 1.282 295 A HN 0.402 nan 8.150 nan 0.000 0.400 296 R N 1.565 122.035 120.500 -0.049 0.000 2.502 296 R HA 0.559 4.900 4.340 0.000 0.000 0.300 296 R C -1.066 175.180 176.300 -0.091 0.000 0.984 296 R CA -0.436 55.628 56.100 -0.060 0.000 0.882 296 R CB 2.289 32.554 30.300 -0.057 0.000 1.180 296 R HN 0.780 nan 8.270 nan 0.000 0.444 297 E N 1.848 121.998 120.200 -0.083 0.000 2.207 297 E HA 0.444 4.794 4.350 0.000 0.000 0.270 297 E C -0.701 175.840 176.600 -0.098 0.000 0.927 297 E CA -1.101 55.238 56.400 -0.101 0.000 0.799 297 E CB 2.564 32.220 29.700 -0.073 0.000 1.172 297 E HN 0.092 nan 8.360 nan 0.000 0.404 298 V N 1.668 121.510 119.914 -0.120 0.000 2.532 298 V HA 0.286 4.406 4.120 0.000 0.000 0.295 298 V C -0.193 175.919 176.094 0.030 0.000 1.041 298 V CA -0.507 61.772 62.300 -0.035 0.000 0.926 298 V CB 1.502 33.306 31.823 -0.032 0.000 0.992 298 V HN 0.694 nan 8.190 nan 0.000 0.457 299 E N 3.658 123.893 120.200 0.058 0.000 2.224 299 E HA 0.571 4.921 4.350 0.000 0.000 0.265 299 E C -1.939 174.728 176.600 0.112 0.000 0.878 299 E CA -0.642 55.763 56.400 0.009 0.000 0.759 299 E CB 1.873 31.552 29.700 -0.036 0.000 1.164 299 E HN 0.718 nan 8.360 nan 0.000 0.414 300 Y N 1.261 121.565 120.300 0.007 0.000 2.477 300 Y HA 0.727 5.277 4.550 0.000 0.000 0.347 300 Y C -1.007 174.928 175.900 0.058 0.000 0.981 300 Y CA -1.376 56.761 58.100 0.062 0.000 1.033 300 Y CB 0.806 39.318 38.460 0.087 0.000 1.245 300 Y HN 0.561 nan 8.280 nan 0.000 0.455 301 C N 0.251 119.709 119.300 0.264 0.000 2.783 301 C HA 0.796 5.256 4.460 0.000 0.000 0.312 301 C C 0.282 175.411 174.990 0.231 0.000 1.182 301 C CA -0.503 58.615 59.018 0.165 0.000 1.432 301 C CB 0.858 28.604 27.740 0.010 0.000 1.933 301 C HN 1.192 nan 8.230 nan 0.000 0.473 302 T N 0.128 114.771 114.554 0.147 0.000 2.932 302 T HA 0.409 4.759 4.350 0.000 0.000 0.312 302 T C 1.305 175.969 174.700 -0.061 0.000 1.071 302 T CA 0.290 62.324 62.100 -0.110 0.000 1.128 302 T CB 0.789 69.603 68.868 -0.090 0.000 0.984 302 T HN 1.633 nan 8.240 nan 0.000 0.549 303 A N 2.347 125.103 122.820 -0.108 0.000 1.972 303 A HA -0.070 4.250 4.320 0.000 0.000 0.219 303 A C 2.617 180.174 177.584 -0.045 0.000 1.169 303 A CA 1.831 53.835 52.037 -0.055 0.000 0.635 303 A CB -1.299 17.665 19.000 -0.061 0.000 0.810 303 A HN 1.144 nan 8.150 nan 0.000 0.446 304 S N -2.211 113.455 115.700 -0.057 0.000 2.387 304 S HA 0.299 4.769 4.470 0.000 0.000 0.226 304 S C 1.681 176.271 174.600 -0.016 0.000 1.026 304 S CA 1.529 59.705 58.200 -0.039 0.000 0.972 304 S CB -0.263 62.910 63.200 -0.045 0.000 0.814 304 S HN 1.811 nan 8.310 nan 0.000 0.477 305 G N 0.894 109.692 108.800 -0.003 0.000 2.491 305 G HA2 -0.349 3.611 3.960 0.000 0.000 0.203 305 G HA3 -0.349 3.611 3.960 0.000 0.000 0.203 305 G C 1.319 176.248 174.900 0.049 0.000 1.052 305 G CA 0.627 45.733 45.100 0.010 0.000 0.675 305 G HN 1.328 nan 8.290 nan 0.000 0.504 306 S N -0.745 114.996 115.700 0.068 0.000 2.513 306 S HA -0.308 4.162 4.470 0.000 0.000 0.311 306 S C 1.146 175.911 174.600 0.274 0.000 1.227 306 S CA 1.945 60.226 58.200 0.134 0.000 1.234 306 S CB -0.813 62.453 63.200 0.110 0.000 1.244 306 S HN 1.474 nan 8.310 nan 0.000 0.445 307 W N 3.629 124.947 121.300 0.029 0.000 2.666 307 W HA 0.601 5.261 4.660 0.000 0.000 0.334 307 W C -0.877 175.665 176.519 0.038 0.000 1.051 307 W CA -0.569 56.807 57.345 0.051 0.000 1.224 307 W CB 1.635 31.166 29.460 0.120 0.000 1.405 307 W HN 0.665 nan 8.180 nan 0.000 0.513 308 N N 2.878 121.047 118.700 -0.884 0.000 2.331 308 N HA 0.342 5.082 4.740 0.000 0.000 0.280 308 N C -2.246 172.469 175.510 -1.326 0.000 1.155 308 N CA -0.646 51.873 53.050 -0.886 0.000 0.822 308 N CB 2.643 40.867 38.487 -0.437 0.000 1.619 308 N HN 0.123 nan 8.380 nan 0.000 0.476 309 D N 0.554 120.286 120.400 -1.115 0.000 2.970 309 D HA 0.300 4.940 4.640 0.000 0.000 0.230 309 D C -1.433 174.517 176.300 -0.584 0.000 1.276 309 D CA -0.389 53.084 54.000 -0.878 0.000 0.910 309 D CB 2.243 42.555 40.800 -0.813 0.000 1.590 309 D HN 0.548 nan 8.370 nan 0.000 0.551 310 R N 2.433 122.740 120.500 -0.321 0.000 2.346 310 R HA 0.496 4.837 4.340 0.000 0.000 0.311 310 R C -1.013 175.231 176.300 -0.094 0.000 0.983 310 R CA -0.501 55.494 56.100 -0.175 0.000 0.880 310 R CB 0.961 31.175 30.300 -0.143 0.000 1.100 310 R HN 0.270 nan 8.270 nan 0.000 0.453 311 Q N 4.381 124.157 119.800 -0.040 0.000 2.268 311 Q HA 0.368 4.709 4.340 0.000 0.000 0.266 311 Q C -2.615 173.342 176.000 -0.071 0.000 1.006 311 Q CA -2.028 53.774 55.803 -0.001 0.000 0.824 311 Q CB 2.476 31.287 28.738 0.123 0.000 1.306 311 Q HN 0.362 nan 8.270 nan 0.000 0.424 312 P HA 0.064 nan 4.420 nan 0.000 0.271 312 P C -0.982 176.192 177.300 -0.210 0.000 1.216 312 P CA -0.157 62.874 63.100 -0.115 0.000 0.771 312 P CB 1.035 32.698 31.700 -0.061 0.000 0.864 313 V N 2.318 122.052 119.914 -0.301 0.000 2.495 313 V HA 0.270 4.390 4.120 0.000 0.000 0.298 313 V C 0.574 176.566 176.094 -0.170 0.000 1.031 313 V CA -0.299 61.732 62.300 -0.448 0.000 0.871 313 V CB 1.643 33.024 31.823 -0.736 0.000 0.988 313 V HN 0.399 nan 8.190 nan 0.000 0.432 314 D N 3.005 123.372 120.400 -0.055 0.000 2.262 314 D HA 0.113 4.753 4.640 0.000 0.000 0.212 314 D C 1.064 177.383 176.300 0.032 0.000 0.964 314 D CA 1.415 55.418 54.000 0.004 0.000 0.875 314 D CB 0.430 41.253 40.800 0.039 0.000 0.996 314 D HN 0.756 nan 8.370 nan 0.000 0.497 315 S N -1.917 113.832 115.700 0.081 0.000 2.758 315 S HA 0.371 4.841 4.470 0.000 0.000 0.292 315 S C 1.178 175.841 174.600 0.104 0.000 1.131 315 S CA -0.467 57.794 58.200 0.102 0.000 0.997 315 S CB 1.282 64.573 63.200 0.151 0.000 1.111 315 S HN -0.015 nan 8.310 nan 0.000 0.552 316 T N 1.522 116.137 114.554 0.102 0.000 2.732 316 T HA 0.061 4.412 4.350 0.000 0.000 0.261 316 T C 0.728 175.527 174.700 0.165 0.000 1.040 316 T CA 1.150 63.312 62.100 0.103 0.000 1.145 316 T CB -0.495 68.418 68.868 0.076 0.000 0.866 316 T HN 0.615 nan 8.240 nan 0.000 0.427 317 S N 1.451 117.267 115.700 0.193 0.000 2.488 317 S HA 0.366 4.836 4.470 0.000 0.000 0.278 317 S C -0.944 173.927 174.600 0.453 0.000 1.259 317 S CA -0.397 57.979 58.200 0.294 0.000 1.061 317 S CB 0.037 63.367 63.200 0.215 0.000 0.910 317 S HN 0.408 nan 8.310 nan 0.000 0.491 318 Y N 2.650 123.128 120.300 0.297 0.000 2.421 318 Y HA 0.436 4.987 4.550 0.000 0.000 0.339 318 Y C -0.522 175.325 175.900 -0.088 0.000 0.996 318 Y CA -0.993 57.181 58.100 0.124 0.000 1.046 318 Y CB 1.137 39.629 38.460 0.054 0.000 1.226 318 Y HN 0.507 nan 8.280 nan 0.000 0.445 319 K N 7.273 126.907 120.400 -1.276 0.000 2.213 319 K HA 0.497 4.817 4.320 0.000 0.000 0.270 319 K C -1.186 174.688 176.600 -1.210 0.000 1.002 319 K CA -0.504 54.872 56.287 -1.518 0.000 0.868 319 K CB 0.556 31.754 32.500 -2.170 0.000 1.093 319 K HN 0.786 nan 8.250 nan 0.000 0.454 320 I N 4.486 124.622 120.570 -0.723 0.000 2.281 320 I HA 0.188 4.358 4.170 0.000 0.000 0.293 320 I C 0.829 176.707 176.117 -0.399 0.000 1.085 320 I CA -0.567 60.423 61.300 -0.516 0.000 1.257 320 I CB 0.954 38.643 38.000 -0.518 0.000 1.430 320 I HN 0.681 nan 8.210 nan 0.000 0.489 321 G N 3.451 112.088 108.800 -0.272 0.000 2.535 321 G HA2 0.292 4.252 3.960 0.000 0.000 0.303 321 G HA3 0.292 4.252 3.960 0.000 0.000 0.303 321 G C 0.316 175.262 174.900 0.077 0.000 1.237 321 G CA -0.300 44.753 45.100 -0.078 0.000 0.986 321 G HN 0.839 nan 8.290 nan 0.000 0.494 322 H N -2.000 117.034 119.070 -0.060 0.000 2.820 322 H HA -0.151 4.406 4.556 0.000 0.000 0.295 322 H C 0.191 175.524 175.328 0.008 0.000 1.187 322 H CA 0.581 56.621 56.048 -0.014 0.000 1.144 322 H CB -1.689 28.073 29.762 0.001 0.000 1.354 322 H HN 0.190 nan 8.280 nan 0.000 0.395 323 L N 0.523 121.762 121.223 0.027 0.000 2.469 323 L HA 0.271 4.611 4.340 0.000 0.000 0.253 323 L C 0.852 177.822 176.870 0.166 0.000 1.143 323 L CA -0.494 54.381 54.840 0.057 0.000 0.804 323 L CB 0.575 42.505 42.059 -0.214 0.000 1.214 323 L HN -0.029 nan 8.230 nan 0.000 0.476 324 D N 0.538 121.139 120.400 0.336 0.000 2.210 324 D HA 0.219 4.859 4.640 0.000 0.000 0.249 324 D C -1.721 174.771 176.300 0.319 0.000 1.078 324 D CA -1.483 52.711 54.000 0.322 0.000 0.875 324 D CB 1.500 42.510 40.800 0.350 0.000 1.175 324 D HN 0.129 nan 8.370 nan 0.000 0.440 325 P HA -0.165 nan 4.420 nan 0.000 0.207 325 P C 0.175 177.610 177.300 0.225 0.000 0.926 325 P CA 1.018 64.209 63.100 0.152 0.000 0.982 325 P CB 0.149 31.854 31.700 0.008 0.000 0.686 326 D N -0.348 120.227 120.400 0.293 0.000 2.801 326 D HA 0.088 4.728 4.640 0.000 0.000 0.232 326 D C -0.771 175.718 176.300 0.315 0.000 1.128 326 D CA 0.319 54.494 54.000 0.293 0.000 1.003 326 D CB -1.254 39.743 40.800 0.329 0.000 1.110 326 D HN 0.010 nan 8.370 nan 0.000 0.477 327 T N 0.758 115.439 114.554 0.211 0.000 2.848 327 T HA 0.233 4.583 4.350 0.000 0.000 0.285 327 T C -0.156 174.522 174.700 -0.036 0.000 0.995 327 T CA -0.845 61.289 62.100 0.057 0.000 0.970 327 T CB 2.163 71.028 68.868 -0.006 0.000 0.976 327 T HN -0.019 nan 8.240 nan 0.000 0.441 328 E N 2.166 122.287 120.200 -0.131 0.000 2.259 328 E HA 0.261 4.611 4.350 0.000 0.000 0.281 328 E C -1.188 175.283 176.600 -0.216 0.000 1.037 328 E CA 0.008 56.357 56.400 -0.084 0.000 0.854 328 E CB 0.790 30.457 29.700 -0.055 0.000 1.051 328 E HN 0.591 nan 8.360 nan 0.000 0.409 329 Y N 1.097 121.436 120.300 0.065 0.000 2.485 329 Y HA 0.226 4.776 4.550 0.000 0.000 0.345 329 Y C 0.285 176.231 175.900 0.076 0.000 0.998 329 Y CA -0.760 57.391 58.100 0.084 0.000 1.059 329 Y CB 1.924 40.425 38.460 0.069 0.000 1.234 329 Y HN 0.427 nan 8.280 nan 0.000 0.461 330 E N 3.306 123.677 120.200 0.285 0.000 2.218 330 E HA 0.587 4.937 4.350 0.000 0.000 0.263 330 E C -1.978 174.745 176.600 0.204 0.000 0.879 330 E CA -0.635 55.874 56.400 0.181 0.000 0.762 330 E CB 0.944 30.712 29.700 0.113 0.000 1.166 330 E HN 0.547 nan 8.360 nan 0.000 0.415 331 I N 3.744 124.409 120.570 0.159 0.000 2.447 331 I HA 0.273 4.443 4.170 0.000 0.000 0.287 331 I C -0.582 175.597 176.117 0.104 0.000 1.023 331 I CA -0.276 61.117 61.300 0.154 0.000 1.083 331 I CB 1.976 40.058 38.000 0.137 0.000 1.245 331 I HN 0.511 nan 8.210 nan 0.000 0.434 332 S N 4.956 120.708 115.700 0.087 0.000 2.566 332 S HA 0.875 5.346 4.470 0.000 0.000 0.298 332 S C -0.718 173.907 174.600 0.043 0.000 1.083 332 S CA -0.832 57.400 58.200 0.054 0.000 0.978 332 S CB 2.028 65.249 63.200 0.035 0.000 1.073 332 S HN 0.210 nan 8.310 nan 0.000 0.491 333 V N 2.068 121.999 119.914 0.027 0.000 2.435 333 V HA 0.484 4.604 4.120 0.000 0.000 0.290 333 V C -0.835 175.256 176.094 -0.005 0.000 1.030 333 V CA -0.644 61.661 62.300 0.010 0.000 0.881 333 V CB 1.009 32.839 31.823 0.012 0.000 0.983 333 V HN 0.790 nan 8.190 nan 0.000 0.445 334 L N 5.886 127.097 121.223 -0.020 0.000 2.296 334 L HA 0.550 4.891 4.340 0.000 0.000 0.286 334 L C -0.239 176.613 176.870 -0.029 0.000 1.023 334 L CA 0.253 55.078 54.840 -0.025 0.000 0.812 334 L CB 1.367 43.407 42.059 -0.033 0.000 1.223 334 L HN 0.451 nan 8.230 nan 0.000 0.421 335 L N 2.344 123.553 121.223 -0.023 0.000 2.352 335 L HA 0.749 5.089 4.340 0.000 0.000 0.269 335 L C -0.227 176.628 176.870 -0.025 0.000 1.034 335 L CA -0.472 54.354 54.840 -0.023 0.000 0.806 335 L CB 1.944 43.993 42.059 -0.016 0.000 1.244 335 L HN 0.516 nan 8.230 nan 0.000 0.447 336 T N 1.009 115.548 114.554 -0.026 0.000 2.991 336 T HA 0.414 4.764 4.350 0.000 0.000 0.303 336 T C -0.676 174.009 174.700 -0.025 0.000 1.015 336 T CA -0.778 61.306 62.100 -0.027 0.000 1.007 336 T CB 1.720 70.569 68.868 -0.031 0.000 1.034 336 T HN 0.634 nan 8.240 nan 0.000 0.446 337 R N 2.078 122.563 120.500 -0.025 0.000 2.782 337 R HA 0.791 5.131 4.340 0.000 0.000 0.258 337 R C -2.977 173.305 176.300 -0.030 0.000 1.055 337 R CA -2.178 53.908 56.100 -0.024 0.000 1.065 337 R CB -0.013 30.274 30.300 -0.022 0.000 1.172 337 R HN 0.212 nan 8.270 nan 0.000 0.510 338 P HA 0.226 nan 4.420 nan 0.000 0.272 338 P C -0.250 177.023 177.300 -0.045 0.000 1.230 338 P CA 0.596 63.675 63.100 -0.035 0.000 0.788 338 P CB 0.712 32.393 31.700 -0.031 0.000 0.949 339 G N 1.002 109.771 108.800 -0.052 0.000 2.661 339 G HA2 -0.170 3.791 3.960 0.000 0.000 0.685 339 G HA3 -0.170 3.791 3.960 0.000 0.000 0.685 339 G C 0.677 175.531 174.900 -0.076 0.000 1.298 339 G CA 0.148 45.207 45.100 -0.068 0.000 0.855 339 G HN 0.481 nan 8.290 nan 0.000 0.560 340 E N -0.150 119.989 120.200 -0.102 0.000 2.085 340 E HA 0.017 4.367 4.350 0.000 0.000 0.194 340 E C 2.252 178.795 176.600 -0.096 0.000 0.994 340 E CA 2.688 59.020 56.400 -0.114 0.000 0.801 340 E CB -0.708 28.885 29.700 -0.177 0.000 0.743 340 E HN 1.397 nan 8.360 nan 0.000 0.453 341 G N -0.984 107.761 108.800 -0.092 0.000 3.814 341 G HA2 0.303 4.263 3.960 0.000 0.000 0.293 341 G HA3 0.303 4.263 3.960 0.000 0.000 0.293 341 G C 0.911 175.780 174.900 -0.051 0.000 1.243 341 G CA 0.054 45.113 45.100 -0.067 0.000 1.053 341 G HN 0.337 nan 8.290 nan 0.000 0.562 342 G N 0.391 109.160 108.800 -0.051 0.000 2.403 342 G HA2 -0.127 3.833 3.960 0.000 0.000 0.216 342 G HA3 -0.127 3.833 3.960 0.000 0.000 0.216 342 G C 1.611 176.490 174.900 -0.034 0.000 1.154 342 G CA 1.553 46.627 45.100 -0.042 0.000 0.784 342 G HN 0.359 nan 8.290 nan 0.000 0.538 343 T N 0.469 115.002 114.554 -0.034 0.000 2.588 343 T HA 0.326 4.676 4.350 0.000 0.000 0.261 343 T C 1.519 176.203 174.700 -0.026 0.000 1.069 343 T CA 1.598 63.679 62.100 -0.031 0.000 1.172 343 T CB -0.819 68.029 68.868 -0.033 0.000 0.863 343 T HN 1.235 nan 8.240 nan 0.000 0.408 344 G N 0.558 109.343 108.800 -0.025 0.000 2.760 344 G HA2 -0.155 3.805 3.960 0.000 0.000 0.246 344 G HA3 -0.155 3.805 3.960 0.000 0.000 0.246 344 G C 0.002 174.891 174.900 -0.018 0.000 1.359 344 G CA -0.300 44.788 45.100 -0.019 0.000 0.861 344 G HN 0.549 nan 8.290 nan 0.000 0.541 345 S N 1.573 117.265 115.700 -0.013 0.000 2.600 345 S HA 0.623 5.093 4.470 0.000 0.000 0.265 345 S C -1.668 172.925 174.600 -0.010 0.000 1.325 345 S CA -0.043 58.151 58.200 -0.011 0.000 1.002 345 S CB 0.805 64.001 63.200 -0.006 0.000 0.921 345 S HN 0.715 nan 8.310 nan 0.000 0.554 346 P HA 0.301 nan 4.420 nan 0.000 0.288 346 P C 0.034 177.335 177.300 0.002 0.000 1.267 346 P CA -0.412 62.684 63.100 -0.006 0.000 0.815 346 P CB 0.578 32.273 31.700 -0.008 0.000 0.989 347 G N 3.419 112.223 108.800 0.007 0.000 2.570 347 G HA2 0.318 4.278 3.960 0.000 0.000 0.276 347 G HA3 0.318 4.278 3.960 0.000 0.000 0.276 347 G C -2.351 172.559 174.900 0.017 0.000 1.346 347 G CA -1.136 43.971 45.100 0.012 0.000 1.034 347 G HN 0.356 nan 8.290 nan 0.000 0.512 348 P HA 0.322 nan 4.420 nan 0.000 0.267 348 P C -0.509 176.810 177.300 0.032 0.000 1.200 348 P CA 0.127 63.242 63.100 0.024 0.000 0.772 348 P CB 0.778 32.492 31.700 0.023 0.000 0.855 349 A N 3.099 125.940 122.820 0.036 0.000 2.276 349 A HA 0.471 4.791 4.320 0.000 0.000 0.316 349 A C -0.533 177.082 177.584 0.053 0.000 1.229 349 A CA -0.638 51.428 52.037 0.048 0.000 0.851 349 A CB 0.033 19.062 19.000 0.049 0.000 1.165 349 A HN 0.579 nan 8.150 nan 0.000 0.513 350 L N 2.643 123.904 121.223 0.063 0.000 2.410 350 L HA 0.440 4.780 4.340 0.000 0.000 0.273 350 L C 0.218 177.135 176.870 0.078 0.000 1.152 350 L CA 0.676 55.556 54.840 0.066 0.000 0.855 350 L CB 0.201 42.303 42.059 0.071 0.000 1.129 350 L HN 0.687 nan 8.230 nan 0.000 0.463 351 R N 3.568 124.110 120.500 0.070 0.000 2.437 351 R HA 0.716 5.056 4.340 0.000 0.000 0.310 351 R C -0.858 175.489 176.300 0.078 0.000 0.955 351 R CA -0.538 55.609 56.100 0.079 0.000 0.851 351 R CB 1.807 32.143 30.300 0.060 0.000 1.161 351 R HN 0.772 nan 8.270 nan 0.000 0.446 352 T N 1.718 116.333 114.554 0.102 0.000 2.840 352 T HA 0.423 4.773 4.350 0.000 0.000 0.317 352 T C -1.555 173.225 174.700 0.132 0.000 1.401 352 T CA -0.919 61.238 62.100 0.094 0.000 1.028 352 T CB 1.703 70.617 68.868 0.077 0.000 1.317 352 T HN 0.711 nan 8.240 nan 0.000 0.495 353 R N -0.103 120.462 120.500 0.109 0.000 2.803 353 R HA 0.839 5.179 4.340 0.000 0.000 0.276 353 R C -0.554 175.813 176.300 0.112 0.000 0.978 353 R CA -0.822 55.361 56.100 0.138 0.000 0.939 353 R CB 0.879 31.238 30.300 0.098 0.000 1.179 353 R HN 0.595 nan 8.270 nan 0.000 0.472 354 T N -0.146 114.497 114.554 0.149 0.000 2.922 354 T HA 0.329 4.680 4.350 0.000 0.000 0.285 354 T C 0.064 174.793 174.700 0.049 0.000 1.005 354 T CA -1.056 61.083 62.100 0.066 0.000 1.061 354 T CB 1.057 69.981 68.868 0.093 0.000 1.007 354 T HN 0.473 nan 8.240 nan 0.000 0.502 355 K N 0.106 120.498 120.400 -0.014 0.000 2.143 355 K HA 0.269 4.589 4.320 0.000 0.000 0.239 355 K C -0.008 176.602 176.600 0.018 0.000 1.048 355 K CA -0.580 55.706 56.287 -0.002 0.000 0.867 355 K CB 0.233 32.711 32.500 -0.035 0.000 1.088 355 K HN 0.610 nan 8.250 nan 0.000 0.510 356 c N 1.118 119.728 118.600 0.017 0.000 2.466 356 c HA 0.451 5.021 4.570 0.000 0.000 0.379 356 c C 0.593 174.667 174.090 -0.026 0.000 1.251 356 c CA -0.744 55.586 56.329 0.002 0.000 2.263 356 c CB 0.495 43.014 42.510 0.016 0.000 2.511 356 c HN 0.726 nan 8.230 nan 0.000 0.573 357 A N 2.842 125.628 122.820 -0.057 0.000 2.310 357 A HA 0.518 4.838 4.320 0.000 0.000 0.299 357 A C 0.188 177.729 177.584 -0.071 0.000 1.147 357 A CA -0.436 51.563 52.037 -0.063 0.000 0.818 357 A CB 0.305 19.256 19.000 -0.082 0.000 1.096 357 A HN 0.939 nan 8.150 nan 0.000 0.495 358 D N 1.990 122.355 120.400 -0.058 0.000 2.419 358 D HA 0.165 4.805 4.640 0.000 0.000 0.236 358 D C -2.576 173.668 176.300 -0.093 0.000 1.165 358 D CA -0.847 53.114 54.000 -0.065 0.000 0.882 358 D CB 0.005 40.772 40.800 -0.054 0.000 1.201 358 D HN 0.128 nan 8.370 nan 0.000 0.443 359 P HA -0.029 nan 4.420 nan 0.000 0.269 359 P C 1.422 178.642 177.300 -0.134 0.000 1.215 359 P CA -0.434 62.580 63.100 -0.143 0.000 0.780 359 P CB 0.540 32.141 31.700 -0.166 0.000 0.898 360 M N 1.270 120.786 119.600 -0.140 0.000 2.226 360 M HA -0.203 4.278 4.480 0.000 0.000 0.257 360 M C 1.004 177.230 176.300 -0.122 0.000 1.070 360 M CA 2.425 57.653 55.300 -0.119 0.000 1.087 360 M CB -0.497 32.035 32.600 -0.113 0.000 1.278 360 M HN 0.544 nan 8.290 nan 0.000 0.426 361 R N -2.445 117.962 120.500 -0.156 0.000 2.728 361 R HA 0.545 4.885 4.340 0.000 0.000 0.274 361 R C -0.339 175.821 176.300 -0.234 0.000 1.030 361 R CA -0.522 55.480 56.100 -0.162 0.000 0.876 361 R CB 0.359 30.579 30.300 -0.134 0.000 1.259 361 R HN 0.106 nan 8.270 nan 0.000 0.468 362 G N 1.056 109.722 108.800 -0.223 0.000 2.539 362 G HA2 0.464 4.425 3.960 0.000 0.000 0.258 362 G HA3 0.464 4.425 3.960 0.000 0.000 0.258 362 G C -2.279 172.427 174.900 -0.323 0.000 1.202 362 G CA -1.291 43.637 45.100 -0.288 0.000 0.851 362 G HN 0.386 nan 8.290 nan 0.000 0.556 363 P HA 0.212 nan 4.420 nan 0.000 0.272 363 P C -0.032 177.199 177.300 -0.115 0.000 1.254 363 P CA -0.048 62.846 63.100 -0.343 0.000 0.795 363 P CB 0.608 32.058 31.700 -0.417 0.000 1.022 364 R N -0.410 120.115 120.500 0.042 0.000 2.869 364 R HA 0.424 4.764 4.340 0.000 0.000 0.263 364 R C -0.535 175.855 176.300 0.151 0.000 1.066 364 R CA -1.033 55.107 56.100 0.067 0.000 0.960 364 R CB 0.901 31.225 30.300 0.041 0.000 1.221 364 R HN 0.276 nan 8.270 nan 0.000 0.474 365 K N 1.163 121.628 120.400 0.108 0.000 3.096 365 K HA -0.169 4.151 4.320 0.000 0.000 0.266 365 K C -0.731 175.965 176.600 0.159 0.000 1.043 365 K CA 0.073 56.429 56.287 0.115 0.000 0.758 365 K CB -0.781 31.787 32.500 0.113 0.000 1.260 365 K HN 0.343 nan 8.250 nan 0.000 0.481 366 L N 2.305 123.616 121.223 0.146 0.000 2.617 366 L HA 0.130 4.470 4.340 0.000 0.000 0.282 366 L C 0.030 176.977 176.870 0.129 0.000 1.174 366 L CA 0.919 55.861 54.840 0.169 0.000 1.016 366 L CB 0.030 42.145 42.059 0.093 0.000 1.337 366 L HN 0.171 nan 8.230 nan 0.000 0.460 367 E N 2.185 122.471 120.200 0.144 0.000 2.232 367 E HA 0.461 4.811 4.350 0.000 0.000 0.265 367 E C -0.844 175.816 176.600 0.099 0.000 1.001 367 E CA -0.972 55.486 56.400 0.096 0.000 0.870 367 E CB 1.898 31.642 29.700 0.074 0.000 1.175 367 E HN 0.335 nan 8.360 nan 0.000 0.407 368 V N 2.312 122.266 119.914 0.066 0.000 2.607 368 V HA 0.025 4.145 4.120 0.000 0.000 0.289 368 V C 0.829 176.949 176.094 0.043 0.000 1.053 368 V CA 0.008 62.341 62.300 0.055 0.000 0.996 368 V CB 1.458 33.301 31.823 0.033 0.000 0.995 368 V HN 0.595 nan 8.190 nan 0.000 0.476 369 V N 2.950 122.888 119.914 0.040 0.000 2.627 369 V HA 0.207 4.328 4.120 0.000 0.000 0.239 369 V C 0.385 176.486 176.094 0.012 0.000 1.077 369 V CA 0.696 63.010 62.300 0.022 0.000 1.103 369 V CB -0.210 31.625 31.823 0.020 0.000 0.802 369 V HN 1.027 nan 8.190 nan 0.000 0.482 370 E N 0.427 120.634 120.200 0.012 0.000 2.372 370 E HA 0.599 4.949 4.350 0.000 0.000 0.279 370 E C -1.179 175.420 176.600 -0.002 0.000 0.946 370 E CA -0.831 55.571 56.400 0.003 0.000 0.769 370 E CB 2.435 32.134 29.700 -0.002 0.000 1.230 370 E HN 0.136 nan 8.360 nan 0.000 0.442 371 V N -0.335 119.576 119.914 -0.007 0.000 2.581 371 V HA 0.735 4.855 4.120 0.000 0.000 0.303 371 V C -0.525 175.558 176.094 -0.018 0.000 1.041 371 V CA -0.508 61.782 62.300 -0.016 0.000 0.907 371 V CB 1.463 33.278 31.823 -0.014 0.000 0.994 371 V HN 0.788 nan 8.190 nan 0.000 0.442 372 K N 2.040 122.423 120.400 -0.029 0.000 2.263 372 K HA 0.541 4.861 4.320 0.000 0.000 0.249 372 K C 1.156 177.736 176.600 -0.034 0.000 1.076 372 K CA -0.158 56.112 56.287 -0.028 0.000 0.884 372 K CB 1.985 34.466 32.500 -0.032 0.000 1.394 372 K HN 0.685 nan 8.250 nan 0.000 0.476 373 S N 0.332 116.012 115.700 -0.033 0.000 2.351 373 S HA -0.104 4.367 4.470 0.000 0.000 0.220 373 S C 1.028 175.593 174.600 -0.059 0.000 1.035 373 S CA 1.539 59.717 58.200 -0.036 0.000 1.031 373 S CB 0.018 63.190 63.200 -0.046 0.000 0.928 373 S HN 0.443 nan 8.310 nan 0.000 0.433 374 R N 0.618 121.074 120.500 -0.073 0.000 2.577 374 R HA 0.280 4.620 4.340 0.000 0.000 0.344 374 R C -0.126 176.113 176.300 -0.102 0.000 1.037 374 R CA -0.123 55.922 56.100 -0.091 0.000 1.102 374 R CB 0.629 30.880 30.300 -0.081 0.000 1.313 374 R HN 0.629 nan 8.270 nan 0.000 0.561 375 Q N 0.812 120.554 119.800 -0.096 0.000 2.482 375 Q HA 0.586 4.926 4.340 0.000 0.000 0.286 375 Q C -1.273 174.673 176.000 -0.089 0.000 1.007 375 Q CA -1.045 54.698 55.803 -0.100 0.000 0.801 375 Q CB 1.949 30.647 28.738 -0.067 0.000 1.455 375 Q HN 0.164 nan 8.270 nan 0.000 0.398 376 I N -1.938 118.579 120.570 -0.089 0.000 3.004 376 I HA 0.697 4.867 4.170 0.000 0.000 0.305 376 I C -1.438 174.668 176.117 -0.018 0.000 1.312 376 I CA -0.814 60.454 61.300 -0.053 0.000 0.992 376 I CB 2.708 40.672 38.000 -0.061 0.000 1.282 376 I HN 0.665 nan 8.210 nan 0.000 0.449 377 T N 5.327 119.889 114.554 0.013 0.000 2.829 377 T HA 0.730 5.080 4.350 0.000 0.000 0.280 377 T C -0.109 174.645 174.700 0.090 0.000 0.999 377 T CA -0.474 61.658 62.100 0.053 0.000 0.983 377 T CB 1.664 70.553 68.868 0.034 0.000 0.968 377 T HN 0.641 nan 8.240 nan 0.000 0.446 378 I N 0.198 120.870 120.570 0.171 0.000 3.067 378 I HA 0.978 5.148 4.170 0.000 0.000 0.312 378 I C -0.741 175.549 176.117 0.289 0.000 1.073 378 I CA -1.749 59.684 61.300 0.222 0.000 1.016 378 I CB 2.325 40.476 38.000 0.251 0.000 1.227 378 I HN 0.687 nan 8.210 nan 0.000 0.456 379 R N 1.153 121.846 120.500 0.321 0.000 2.733 379 R HA 0.798 5.138 4.340 0.000 0.000 0.272 379 R C -2.202 174.347 176.300 0.415 0.000 1.029 379 R CA -0.702 55.517 56.100 0.198 0.000 0.888 379 R CB 0.798 31.100 30.300 0.003 0.000 1.251 379 R HN 0.988 nan 8.270 nan 0.000 0.464 380 W N -0.804 120.560 121.300 0.107 0.000 2.989 380 W HA 0.470 5.130 4.660 0.000 0.000 0.344 380 W C -1.389 175.211 176.519 0.136 0.000 1.233 380 W CA -1.068 56.341 57.345 0.107 0.000 1.187 380 W CB 0.681 30.206 29.460 0.109 0.000 1.443 380 W HN 0.964 nan 8.180 nan 0.000 0.573 381 E N 1.921 122.322 120.200 0.334 0.000 2.313 381 E HA 0.516 4.866 4.350 0.000 0.000 0.276 381 E C -2.162 174.673 176.600 0.391 0.000 1.031 381 E CA -1.547 54.995 56.400 0.236 0.000 0.857 381 E CB 1.175 30.991 29.700 0.194 0.000 1.040 381 E HN 0.069 nan 8.360 nan 0.000 0.408 382 P HA -0.005 nan 4.420 nan 0.000 0.272 382 P C -0.650 176.835 177.300 0.309 0.000 1.248 382 P CA 0.063 63.256 63.100 0.155 0.000 0.799 382 P CB 0.184 31.852 31.700 -0.054 0.000 0.997 383 F N -3.254 116.745 119.950 0.082 0.000 1.868 383 F HA 0.577 5.105 4.527 0.000 0.000 0.245 383 F C 0.986 176.790 175.800 0.007 0.000 1.114 383 F CA 0.294 58.313 58.000 0.032 0.000 1.261 383 F CB -0.608 38.395 39.000 0.004 0.000 1.620 383 F HN 0.600 nan 8.300 nan 0.000 0.567 384 G N 0.764 109.515 108.800 -0.083 0.000 2.582 384 G HA2 -0.324 3.636 3.960 0.000 0.000 0.222 384 G HA3 -0.324 3.636 3.960 0.000 0.000 0.222 384 G C -0.123 174.802 174.900 0.041 0.000 1.311 384 G CA -0.024 45.068 45.100 -0.013 0.000 0.915 384 G HN 0.685 nan 8.290 nan 0.000 0.528 385 Y N 1.831 122.112 120.300 -0.032 0.000 2.315 385 Y HA -0.142 4.408 4.550 0.000 0.000 0.288 385 Y C 2.570 178.431 175.900 -0.066 0.000 1.154 385 Y CA 2.863 60.917 58.100 -0.077 0.000 1.229 385 Y CB -0.224 38.198 38.460 -0.063 0.000 0.980 385 Y HN 0.494 nan 8.280 nan 0.000 0.540 386 N N -1.042 117.639 118.700 -0.032 0.000 2.409 386 N HA -0.078 4.662 4.740 0.000 0.000 0.179 386 N C 1.582 177.018 175.510 -0.123 0.000 1.032 386 N CA 1.286 54.283 53.050 -0.088 0.000 0.898 386 N CB -0.297 38.205 38.487 0.025 0.000 0.971 386 N HN 0.275 nan 8.380 nan 0.000 0.441 387 V N 0.330 120.203 119.914 -0.068 0.000 2.575 387 V HA -0.080 4.041 4.120 0.000 0.000 0.242 387 V C 2.354 178.346 176.094 -0.170 0.000 1.045 387 V CA 1.872 64.121 62.300 -0.086 0.000 1.065 387 V CB -0.715 31.109 31.823 0.001 0.000 0.717 387 V HN 0.473 nan 8.190 nan 0.000 0.467 388 T N -1.722 112.716 114.554 -0.193 0.000 2.857 388 T HA -0.158 4.192 4.350 0.000 0.000 0.266 388 T C 1.200 175.719 174.700 -0.302 0.000 1.048 388 T CA 0.736 62.655 62.100 -0.302 0.000 1.139 388 T CB -0.305 68.224 68.868 -0.566 0.000 0.874 388 T HN 0.472 nan 8.240 nan 0.000 0.455 389 R N -0.561 119.653 120.500 -0.476 0.000 3.627 389 R HA -0.137 4.203 4.340 0.000 0.000 0.281 389 R C -0.575 175.510 176.300 -0.357 0.000 1.140 389 R CA 0.364 56.121 56.100 -0.572 0.000 0.761 389 R CB -2.749 27.352 30.300 -0.333 0.000 1.181 389 R HN 0.594 nan 8.270 nan 0.000 0.472 390 c N -1.856 116.584 118.600 -0.267 0.000 3.259 390 c HA 0.172 4.742 4.570 0.000 0.000 0.431 390 c C 1.146 175.324 174.090 0.146 0.000 0.967 390 c CA -0.852 55.475 56.329 -0.003 0.000 1.175 390 c CB 1.122 43.665 42.510 0.055 0.000 1.566 390 c HN 0.577 nan 8.230 nan 0.000 0.615 391 H N 1.578 120.843 119.070 0.325 0.000 2.529 391 H HA 0.087 4.644 4.556 0.000 0.000 0.277 391 H C 1.233 176.716 175.328 0.258 0.000 0.999 391 H CA 1.338 57.585 56.048 0.332 0.000 1.256 391 H CB 0.323 30.209 29.762 0.208 0.000 1.402 391 H HN 0.664 nan 8.280 nan 0.000 0.566 392 S N 0.375 116.257 115.700 0.304 0.000 2.454 392 S HA 0.535 5.005 4.470 0.000 0.000 0.306 392 S C -0.822 173.908 174.600 0.216 0.000 1.100 392 S CA -0.785 57.492 58.200 0.128 0.000 1.087 392 S CB 1.115 64.369 63.200 0.090 0.000 1.019 392 S HN 0.397 nan 8.310 nan 0.000 0.480 393 Y N -0.390 119.952 120.300 0.070 0.000 2.818 393 Y HA 0.762 5.312 4.550 0.000 0.000 0.341 393 Y C -1.612 174.308 175.900 0.033 0.000 1.283 393 Y CA -1.277 56.851 58.100 0.047 0.000 1.075 393 Y CB 0.488 38.987 38.460 0.065 0.000 1.370 393 Y HN 0.803 nan 8.280 nan 0.000 0.448 394 N N 0.355 119.184 118.700 0.215 0.000 2.405 394 N HA 0.531 5.271 4.740 0.000 0.000 0.274 394 N C -2.584 173.006 175.510 0.133 0.000 1.170 394 N CA -0.713 52.390 53.050 0.088 0.000 0.848 394 N CB 2.205 40.650 38.487 -0.070 0.000 1.629 394 N HN 0.962 nan 8.380 nan 0.000 0.481 395 L N 0.340 121.616 121.223 0.090 0.000 2.309 395 L HA 0.789 5.129 4.340 0.000 0.000 0.282 395 L C -0.752 176.044 176.870 -0.124 0.000 1.036 395 L CA 0.283 55.134 54.840 0.018 0.000 0.806 395 L CB 1.702 43.839 42.059 0.130 0.000 1.220 395 L HN 0.814 nan 8.230 nan 0.000 0.429 396 T N 3.846 118.298 114.554 -0.171 0.000 2.921 396 T HA 0.541 4.891 4.350 0.000 0.000 0.297 396 T C -1.055 173.522 174.700 -0.205 0.000 1.013 396 T CA -0.444 61.548 62.100 -0.181 0.000 0.990 396 T CB 1.674 70.469 68.868 -0.121 0.000 1.023 396 T HN 0.312 nan 8.240 nan 0.000 0.447 397 V N 3.265 123.048 119.914 -0.219 0.000 2.383 397 V HA 0.395 4.516 4.120 0.000 0.000 0.275 397 V C -0.334 175.744 176.094 -0.026 0.000 1.036 397 V CA -0.686 61.515 62.300 -0.164 0.000 0.889 397 V CB 0.697 32.357 31.823 -0.272 0.000 0.985 397 V HN 0.942 nan 8.190 nan 0.000 0.459 398 H N 5.347 124.371 119.070 -0.075 0.000 2.762 398 H HA 0.612 5.168 4.556 0.000 0.000 0.310 398 H C -0.990 174.343 175.328 0.008 0.000 1.004 398 H CA -0.613 55.369 56.048 -0.111 0.000 1.267 398 H CB 0.763 30.458 29.762 -0.112 0.000 1.437 398 H HN 0.686 nan 8.280 nan 0.000 0.498 399 Y N 1.237 121.433 120.300 -0.174 0.000 2.587 399 Y HA 0.703 5.253 4.550 0.000 0.000 0.337 399 Y C -0.870 175.008 175.900 -0.037 0.000 1.065 399 Y CA -1.550 56.533 58.100 -0.028 0.000 1.126 399 Y CB 0.942 39.430 38.460 0.048 0.000 1.279 399 Y HN 0.571 nan 8.280 nan 0.000 0.489 400 C N 2.848 122.330 119.300 0.304 0.000 2.701 400 C HA 0.797 5.258 4.460 0.000 0.000 0.336 400 C C -1.535 173.659 174.990 0.339 0.000 1.123 400 C CA -0.823 58.312 59.018 0.196 0.000 1.326 400 C CB 0.082 27.888 27.740 0.109 0.000 1.833 400 C HN 0.969 nan 8.230 nan 0.000 0.473 401 Y N 2.257 122.590 120.300 0.055 0.000 2.779 401 Y HA 0.753 5.303 4.550 0.000 0.000 0.340 401 Y C -1.441 174.480 175.900 0.036 0.000 1.252 401 Y CA -1.014 57.113 58.100 0.045 0.000 1.072 401 Y CB 0.646 39.139 38.460 0.055 0.000 1.343 401 Y HN 0.447 nan 8.280 nan 0.000 0.450 402 Q N 0.693 120.572 119.800 0.132 0.000 2.377 402 Q HA 0.798 5.139 4.340 0.000 0.000 0.271 402 Q C -1.565 174.521 176.000 0.142 0.000 1.077 402 Q CA -1.078 54.751 55.803 0.043 0.000 0.820 402 Q CB 3.134 31.895 28.738 0.039 0.000 1.347 402 Q HN 0.637 nan 8.270 nan 0.000 0.444 403 V N 1.309 121.280 119.914 0.095 0.000 2.763 403 V HA 0.382 4.503 4.120 0.000 0.000 0.257 403 V C 0.436 176.590 176.094 0.100 0.000 0.906 403 V CA -0.301 62.085 62.300 0.143 0.000 0.894 403 V CB 1.122 33.074 31.823 0.216 0.000 1.052 403 V HN 0.991 nan 8.190 nan 0.000 0.491 404 G N 1.571 110.420 108.800 0.083 0.000 2.545 404 G HA2 0.193 4.153 3.960 0.000 0.000 0.212 404 G HA3 0.193 4.153 3.960 0.000 0.000 0.212 404 G C 1.285 176.213 174.900 0.046 0.000 1.144 404 G CA 0.918 46.062 45.100 0.073 0.000 0.813 404 G HN 0.771 nan 8.290 nan 0.000 0.531 405 G N 1.079 109.901 108.800 0.037 0.000 2.666 405 G HA2 -0.050 3.910 3.960 0.000 0.000 0.215 405 G HA3 -0.050 3.910 3.960 0.000 0.000 0.215 405 G C 1.013 175.918 174.900 0.008 0.000 1.294 405 G CA 0.925 46.038 45.100 0.022 0.000 0.811 405 G HN 0.556 nan 8.290 nan 0.000 0.594 406 Q N 1.086 120.885 119.800 -0.001 0.000 2.260 406 Q HA 0.425 4.765 4.340 0.000 0.000 0.242 406 Q C -0.797 175.168 176.000 -0.057 0.000 0.932 406 Q CA -0.410 55.378 55.803 -0.024 0.000 0.891 406 Q CB 1.673 30.395 28.738 -0.025 0.000 1.222 406 Q HN 0.376 nan 8.270 nan 0.000 0.453 407 E N 0.730 120.884 120.200 -0.076 0.000 2.392 407 E HA 0.066 4.416 4.350 0.000 0.000 0.256 407 E C -0.674 175.797 176.600 -0.216 0.000 1.145 407 E CA 0.222 56.543 56.400 -0.132 0.000 0.929 407 E CB 0.682 30.325 29.700 -0.096 0.000 0.998 407 E HN 0.389 nan 8.360 nan 0.000 0.442 408 Q N 0.633 120.206 119.800 -0.377 0.000 2.289 408 Q HA 0.442 4.782 4.340 0.000 0.000 0.270 408 Q C -1.563 174.206 176.000 -0.386 0.000 1.038 408 Q CA -0.686 54.856 55.803 -0.436 0.000 0.812 408 Q CB 2.314 30.639 28.738 -0.689 0.000 1.300 408 Q HN 0.208 nan 8.270 nan 0.000 0.427 409 V N 2.752 122.512 119.914 -0.257 0.000 2.385 409 V HA 0.397 4.517 4.120 0.000 0.000 0.277 409 V C -0.537 175.343 176.094 -0.358 0.000 1.012 409 V CA -0.670 61.465 62.300 -0.274 0.000 0.832 409 V CB 1.200 32.906 31.823 -0.194 0.000 1.028 409 V HN 0.549 nan 8.190 nan 0.000 0.436 410 R N 2.269 122.447 120.500 -0.538 0.000 2.643 410 R HA 0.782 5.122 4.340 0.000 0.000 0.272 410 R C -0.296 175.498 176.300 -0.843 0.000 0.995 410 R CA -0.508 55.198 56.100 -0.656 0.000 1.032 410 R CB 1.341 31.235 30.300 -0.677 0.000 1.126 410 R HN 0.692 nan 8.270 nan 0.000 0.505 411 E N 0.805 120.714 120.200 -0.484 0.000 2.292 411 E HA 0.313 4.664 4.350 0.000 0.000 0.272 411 E C -0.887 175.625 176.600 -0.146 0.000 0.881 411 E CA -0.599 55.619 56.400 -0.304 0.000 0.754 411 E CB 2.666 32.276 29.700 -0.150 0.000 1.201 411 E HN 0.475 nan 8.360 nan 0.000 0.425 412 E N 0.608 120.754 120.200 -0.091 0.000 2.404 412 E HA 0.610 4.961 4.350 0.000 0.000 0.264 412 E C -1.140 175.394 176.600 -0.110 0.000 0.946 412 E CA -1.068 55.322 56.400 -0.017 0.000 0.806 412 E CB 2.442 32.215 29.700 0.120 0.000 1.334 412 E HN 0.069 nan 8.360 nan 0.000 0.429 413 V N 1.398 121.240 119.914 -0.120 0.000 2.445 413 V HA 0.167 4.287 4.120 0.000 0.000 0.283 413 V C -0.312 175.506 176.094 -0.459 0.000 1.014 413 V CA -0.588 61.517 62.300 -0.325 0.000 0.852 413 V CB 1.415 32.961 31.823 -0.460 0.000 1.021 413 V HN 0.536 nan 8.190 nan 0.000 0.435 414 S N 3.175 118.723 115.700 -0.254 0.000 2.565 414 S HA 0.299 4.770 4.470 0.000 0.000 0.276 414 S C 0.105 174.597 174.600 -0.180 0.000 1.326 414 S CA -0.140 58.065 58.200 0.008 0.000 1.045 414 S CB 0.411 63.813 63.200 0.338 0.000 0.918 414 S HN 0.675 nan 8.310 nan 0.000 0.505 415 W N 1.463 122.894 121.300 0.219 0.000 3.239 415 W HA 0.287 4.947 4.660 0.000 0.000 0.368 415 W C -0.056 176.543 176.519 0.133 0.000 1.154 415 W CA -0.599 56.831 57.345 0.141 0.000 1.860 415 W CB -0.000 29.518 29.460 0.097 0.000 1.094 415 W HN 0.526 nan 8.180 nan 0.000 0.643 416 D N 0.038 120.631 120.400 0.322 0.000 3.032 416 D HA 0.014 4.654 4.640 0.000 0.000 0.241 416 D C 1.537 177.943 176.300 0.177 0.000 1.196 416 D CA 0.501 54.634 54.000 0.222 0.000 0.927 416 D CB -0.032 40.878 40.800 0.184 0.000 1.129 416 D HN -0.058 nan 8.370 nan 0.000 0.458 417 T N 0.159 114.816 114.554 0.172 0.000 2.788 417 T HA -0.104 4.246 4.350 0.000 0.000 0.268 417 T C 0.739 175.475 174.700 0.061 0.000 1.044 417 T CA 0.908 63.090 62.100 0.137 0.000 1.139 417 T CB 0.159 69.101 68.868 0.122 0.000 0.867 417 T HN 0.199 nan 8.240 nan 0.000 0.454 418 E N 2.475 122.706 120.200 0.051 0.000 2.376 418 E HA 0.440 4.790 4.350 0.000 0.000 0.236 418 E C -1.060 175.529 176.600 -0.018 0.000 0.962 418 E CA -0.228 56.178 56.400 0.010 0.000 0.768 418 E CB 0.567 30.280 29.700 0.022 0.000 1.236 418 E HN 0.256 nan 8.360 nan 0.000 0.431 419 N N 0.051 118.713 118.700 -0.063 0.000 2.503 419 N HA 0.124 4.864 4.740 0.000 0.000 0.287 419 N C -1.450 173.949 175.510 -0.184 0.000 1.096 419 N CA -0.228 52.760 53.050 -0.104 0.000 0.936 419 N CB 1.691 40.126 38.487 -0.087 0.000 1.570 419 N HN -0.046 nan 8.380 nan 0.000 0.504 420 S N 1.245 116.791 115.700 -0.256 0.000 2.474 420 S HA 0.176 4.646 4.470 0.000 0.000 0.276 420 S C -0.638 173.609 174.600 -0.588 0.000 1.227 420 S CA -0.137 57.761 58.200 -0.503 0.000 1.050 420 S CB -0.217 62.599 63.200 -0.639 0.000 0.939 420 S HN 0.776 nan 8.310 nan 0.000 0.490 421 H N 0.488 119.482 119.070 -0.128 0.000 2.847 421 H HA -0.108 4.448 4.556 0.000 0.000 0.336 421 H C -2.595 172.572 175.328 -0.270 0.000 1.221 421 H CA -0.284 55.664 56.048 -0.168 0.000 1.162 421 H CB -1.775 27.925 29.762 -0.104 0.000 1.566 421 H HN 0.391 nan 8.280 nan 0.000 0.430 422 P HA 0.084 nan 4.420 nan 0.000 0.272 422 P C -0.043 176.805 177.300 -0.753 0.000 1.223 422 P CA 0.238 62.974 63.100 -0.608 0.000 0.784 422 P CB 1.279 32.420 31.700 -0.931 0.000 0.923 423 Q N 0.095 119.624 119.800 -0.452 0.000 2.495 423 Q HA 0.553 4.893 4.340 0.000 0.000 0.287 423 Q C -1.216 174.876 176.000 0.154 0.000 1.078 423 Q CA -0.606 55.093 55.803 -0.173 0.000 0.793 423 Q CB 2.462 31.169 28.738 -0.050 0.000 1.459 423 Q HN 0.592 nan 8.270 nan 0.000 0.422 424 H N -0.623 118.578 119.070 0.220 0.000 3.099 424 H HA 0.323 4.880 4.556 0.000 0.000 0.342 424 H C -1.651 173.778 175.328 0.168 0.000 1.054 424 H CA -0.195 56.011 56.048 0.265 0.000 1.328 424 H CB 1.602 31.613 29.762 0.414 0.000 1.876 424 H HN 0.475 nan 8.280 nan 0.000 0.495 425 T N 6.738 121.219 114.554 -0.121 0.000 2.781 425 T HA 0.340 4.690 4.350 0.000 0.000 0.305 425 T C 0.565 175.237 174.700 -0.046 0.000 1.001 425 T CA -0.514 61.561 62.100 -0.042 0.000 0.950 425 T CB -0.118 68.715 68.868 -0.058 0.000 0.955 425 T HN 0.381 nan 8.240 nan 0.000 0.471 426 I N 3.255 123.847 120.570 0.036 0.000 2.638 426 I HA 0.273 4.444 4.170 0.000 0.000 0.286 426 I C 0.828 176.882 176.117 -0.106 0.000 1.088 426 I CA 0.036 61.305 61.300 -0.050 0.000 1.397 426 I CB 0.814 38.622 38.000 -0.319 0.000 1.414 426 I HN 0.551 nan 8.210 nan 0.000 0.566 427 T N 2.766 117.273 114.554 -0.078 0.000 2.838 427 T HA 0.344 4.694 4.350 0.000 0.000 0.292 427 T C -0.452 174.226 174.700 -0.037 0.000 1.113 427 T CA -0.951 61.116 62.100 -0.054 0.000 1.008 427 T CB 1.358 70.220 68.868 -0.009 0.000 1.259 427 T HN 0.707 nan 8.240 nan 0.000 0.520 428 N N 0.037 118.723 118.700 -0.025 0.000 2.771 428 N HA -0.122 4.618 4.740 0.000 0.000 0.249 428 N C -1.093 174.417 175.510 -0.001 0.000 1.069 428 N CA 0.109 53.166 53.050 0.012 0.000 0.688 428 N CB -1.662 36.867 38.487 0.069 0.000 0.928 428 N HN 0.416 nan 8.380 nan 0.000 0.551 429 L N -0.253 120.914 121.223 -0.093 0.000 2.313 429 L HA 0.662 5.002 4.340 0.000 0.000 0.268 429 L C 0.688 177.488 176.870 -0.115 0.000 1.010 429 L CA -1.024 53.690 54.840 -0.210 0.000 0.814 429 L CB 1.655 43.497 42.059 -0.363 0.000 1.304 429 L HN 0.267 nan 8.230 nan 0.000 0.441 430 S N 0.345 115.987 115.700 -0.096 0.000 2.554 430 S HA 0.608 5.078 4.470 0.000 0.000 0.278 430 S C -2.648 171.959 174.600 0.011 0.000 1.242 430 S CA -1.411 56.803 58.200 0.025 0.000 1.051 430 S CB 1.137 64.435 63.200 0.164 0.000 0.986 430 S HN 0.237 nan 8.310 nan 0.000 0.502 431 P HA 0.201 nan 4.420 nan 0.000 0.274 431 P C -0.504 176.932 177.300 0.226 0.000 1.237 431 P CA -0.117 63.044 63.100 0.101 0.000 0.793 431 P CB -0.124 31.631 31.700 0.091 0.000 0.977 432 Y N -0.731 119.591 120.300 0.036 0.000 3.078 432 Y HA -0.235 4.315 4.550 0.000 0.000 0.202 432 Y C -1.025 174.903 175.900 0.047 0.000 1.322 432 Y CA 1.029 59.154 58.100 0.041 0.000 1.118 432 Y CB -2.101 36.395 38.460 0.060 0.000 1.343 432 Y HN 0.296 nan 8.280 nan 0.000 0.499 433 T N 2.046 116.558 114.554 -0.070 0.000 2.912 433 T HA 0.347 4.697 4.350 0.000 0.000 0.299 433 T C -0.479 174.166 174.700 -0.091 0.000 1.052 433 T CA -1.049 61.009 62.100 -0.071 0.000 0.996 433 T CB 1.246 70.131 68.868 0.028 0.000 1.070 433 T HN 0.230 nan 8.240 nan 0.000 0.465 434 N N 2.305 120.968 118.700 -0.063 0.000 2.402 434 N HA 0.235 4.976 4.740 0.000 0.000 0.252 434 N C -0.466 175.059 175.510 0.025 0.000 1.118 434 N CA -0.104 52.924 53.050 -0.038 0.000 0.945 434 N CB 0.975 39.443 38.487 -0.033 0.000 1.147 434 N HN 0.327 nan 8.380 nan 0.000 0.495 435 V N 1.617 121.523 119.914 -0.012 0.000 2.432 435 V HA 0.074 4.194 4.120 0.000 0.000 0.271 435 V C 0.825 176.958 176.094 0.066 0.000 1.046 435 V CA -0.377 61.938 62.300 0.025 0.000 0.945 435 V CB 1.147 32.911 31.823 -0.099 0.000 0.992 435 V HN 0.500 nan 8.190 nan 0.000 0.471 436 S N 5.013 120.790 115.700 0.128 0.000 2.410 436 S HA 0.540 5.010 4.470 0.000 0.000 0.304 436 S C -0.433 174.260 174.600 0.155 0.000 1.095 436 S CA -0.467 57.801 58.200 0.114 0.000 1.089 436 S CB 0.485 63.750 63.200 0.108 0.000 0.968 436 S HN 0.487 nan 8.310 nan 0.000 0.480 437 V N 6.634 126.620 119.914 0.120 0.000 2.547 437 V HA 0.708 4.828 4.120 0.000 0.000 0.299 437 V C -0.069 176.078 176.094 0.088 0.000 1.040 437 V CA -0.769 61.613 62.300 0.137 0.000 0.913 437 V CB 1.729 33.612 31.823 0.100 0.000 0.992 437 V HN 0.828 nan 8.190 nan 0.000 0.449 438 K N 4.269 124.719 120.400 0.084 0.000 2.546 438 K HA 0.541 4.861 4.320 0.000 0.000 0.264 438 K C -2.233 174.324 176.600 -0.071 0.000 0.937 438 K CA -0.775 55.507 56.287 -0.009 0.000 0.833 438 K CB 2.275 34.754 32.500 -0.035 0.000 1.378 438 K HN 0.555 nan 8.250 nan 0.000 0.432 439 L N 3.982 125.101 121.223 -0.173 0.000 2.262 439 L HA 0.460 4.800 4.340 0.000 0.000 0.288 439 L C -0.221 176.497 176.870 -0.255 0.000 1.035 439 L CA -0.866 53.804 54.840 -0.285 0.000 0.820 439 L CB 0.863 42.633 42.059 -0.481 0.000 1.204 439 L HN 0.474 nan 8.230 nan 0.000 0.424 440 I N 4.596 125.039 120.570 -0.212 0.000 2.304 440 I HA 0.203 4.374 4.170 0.000 0.000 0.291 440 I C -0.334 175.674 176.117 -0.182 0.000 1.018 440 I CA -0.585 60.601 61.300 -0.190 0.000 1.260 440 I CB 1.546 39.449 38.000 -0.162 0.000 1.390 440 I HN 0.359 nan 8.210 nan 0.000 0.475 441 L N 8.537 129.643 121.223 -0.195 0.000 2.264 441 L HA 0.535 4.876 4.340 0.000 0.000 0.289 441 L C -0.569 176.243 176.870 -0.096 0.000 1.044 441 L CA 0.139 54.885 54.840 -0.157 0.000 0.807 441 L CB 0.803 42.701 42.059 -0.268 0.000 1.192 441 L HN 0.545 nan 8.230 nan 0.000 0.425 442 M N 5.042 124.627 119.600 -0.026 0.000 2.393 442 M HA 0.446 4.927 4.480 0.000 0.000 0.316 442 M C -0.803 175.530 176.300 0.056 0.000 1.087 442 M CA -0.732 54.564 55.300 -0.007 0.000 0.937 442 M CB 2.070 34.662 32.600 -0.013 0.000 1.668 442 M HN 0.804 nan 8.290 nan 0.000 0.438 443 N N 2.054 120.774 118.700 0.034 0.000 2.697 443 N HA 0.587 5.327 4.740 0.000 0.000 0.272 443 N C -2.776 172.753 175.510 0.031 0.000 1.381 443 N CA -1.801 51.288 53.050 0.065 0.000 0.797 443 N CB 0.284 38.812 38.487 0.068 0.000 1.523 443 N HN 0.100 nan 8.380 nan 0.000 0.518 444 P HA -0.041 nan 4.420 nan 0.000 0.223 444 P C 0.443 177.749 177.300 0.010 0.000 1.144 444 P CA 1.219 64.333 63.100 0.024 0.000 0.783 444 P CB 0.340 32.059 31.700 0.033 0.000 0.771 445 E N -1.092 119.110 120.200 0.003 0.000 2.162 445 E HA 0.226 4.576 4.350 0.000 0.000 0.193 445 E C 1.358 177.948 176.600 -0.017 0.000 0.953 445 E CA 0.900 57.295 56.400 -0.007 0.000 0.849 445 E CB -0.127 29.566 29.700 -0.011 0.000 0.810 445 E HN 0.210 nan 8.360 nan 0.000 0.470 446 G N 0.400 109.184 108.800 -0.026 0.000 2.731 446 G HA2 0.556 4.517 3.960 0.000 0.000 0.309 446 G HA3 0.556 4.517 3.960 0.000 0.000 0.309 446 G C -1.224 173.647 174.900 -0.049 0.000 1.273 446 G CA -0.659 44.418 45.100 -0.038 0.000 0.798 446 G HN 0.086 nan 8.290 nan 0.000 0.509 447 R N -0.784 119.678 120.500 -0.065 0.000 2.764 447 R HA 0.764 5.104 4.340 0.000 0.000 0.270 447 R C -1.783 174.456 176.300 -0.103 0.000 1.014 447 R CA -1.058 54.992 56.100 -0.083 0.000 0.904 447 R CB 2.021 32.272 30.300 -0.082 0.000 1.236 447 R HN 0.331 nan 8.270 nan 0.000 0.466 448 K N 2.011 122.333 120.400 -0.130 0.000 2.601 448 K HA 0.185 4.505 4.320 0.000 0.000 0.249 448 K C -1.088 175.410 176.600 -0.170 0.000 0.966 448 K CA -0.584 55.617 56.287 -0.143 0.000 0.827 448 K CB 2.413 34.820 32.500 -0.154 0.000 1.178 448 K HN 0.820 nan 8.250 nan 0.000 0.437 449 E N 0.834 120.940 120.200 -0.156 0.000 2.313 449 E HA 0.327 4.678 4.350 0.000 0.000 0.272 449 E C 0.292 176.795 176.600 -0.163 0.000 1.038 449 E CA -0.708 55.590 56.400 -0.170 0.000 0.863 449 E CB 1.006 30.608 29.700 -0.164 0.000 1.060 449 E HN 0.447 nan 8.360 nan 0.000 0.402 450 S N 2.383 117.978 115.700 -0.175 0.000 2.633 450 S HA 0.006 4.476 4.470 0.000 0.000 0.257 450 S C 0.413 174.952 174.600 -0.102 0.000 1.265 450 S CA -0.692 57.418 58.200 -0.149 0.000 0.980 450 S CB 0.365 63.465 63.200 -0.166 0.000 1.017 450 S HN 0.668 nan 8.310 nan 0.000 0.577 451 Q N 0.623 120.379 119.800 -0.072 0.000 2.395 451 Q HA 0.106 4.446 4.340 0.000 0.000 0.271 451 Q C -0.118 175.860 176.000 -0.037 0.000 1.026 451 Q CA 0.302 56.077 55.803 -0.046 0.000 0.900 451 Q CB 0.396 29.119 28.738 -0.026 0.000 1.266 451 Q HN 0.662 nan 8.270 nan 0.000 0.430 452 E N 2.532 122.716 120.200 -0.026 0.000 2.152 452 E HA 0.137 4.487 4.350 0.000 0.000 0.285 452 E C -1.199 175.405 176.600 0.006 0.000 1.043 452 E CA -0.422 55.972 56.400 -0.010 0.000 0.839 452 E CB 0.610 30.305 29.700 -0.009 0.000 1.069 452 E HN 0.254 nan 8.360 nan 0.000 0.399 453 L N 5.561 126.795 121.223 0.018 0.000 2.360 453 L HA 0.521 4.861 4.340 0.000 0.000 0.271 453 L C -0.861 176.027 176.870 0.030 0.000 1.057 453 L CA -0.399 54.456 54.840 0.025 0.000 0.803 453 L CB 1.284 43.363 42.059 0.033 0.000 1.207 453 L HN 0.488 nan 8.230 nan 0.000 0.445 454 I N 4.265 124.848 120.570 0.022 0.000 2.499 454 I HA 0.466 4.636 4.170 0.000 0.000 0.288 454 I C -1.252 174.869 176.117 0.007 0.000 1.048 454 I CA -0.827 60.484 61.300 0.018 0.000 1.062 454 I CB 1.996 40.004 38.000 0.013 0.000 1.238 454 I HN 0.198 nan 8.210 nan 0.000 0.426 455 V N 4.953 124.865 119.914 -0.003 0.000 2.482 455 V HA 0.302 4.422 4.120 0.000 0.000 0.295 455 V C -0.224 175.847 176.094 -0.038 0.000 1.026 455 V CA -0.708 61.583 62.300 -0.016 0.000 0.856 455 V CB 1.538 33.351 31.823 -0.016 0.000 1.001 455 V HN 0.806 nan 8.190 nan 0.000 0.424 456 Q N 3.441 123.217 119.800 -0.041 0.000 2.296 456 Q HA 0.322 4.663 4.340 0.000 0.000 0.263 456 Q C 0.506 176.480 176.000 -0.044 0.000 1.026 456 Q CA -0.328 55.437 55.803 -0.065 0.000 0.912 456 Q CB 0.948 29.641 28.738 -0.075 0.000 1.198 456 Q HN 0.947 nan 8.270 nan 0.000 0.407 457 T N 1.515 116.033 114.554 -0.059 0.000 2.928 457 T HA 0.014 4.364 4.350 0.000 0.000 0.305 457 T C 0.197 174.913 174.700 0.027 0.000 1.035 457 T CA -0.803 61.273 62.100 -0.040 0.000 1.145 457 T CB 0.715 69.539 68.868 -0.074 0.000 0.963 457 T HN 0.658 nan 8.240 nan 0.000 0.545 458 D N 1.660 122.074 120.400 0.023 0.000 2.419 458 D HA 0.043 4.683 4.640 0.000 0.000 0.236 458 D C 0.574 176.927 176.300 0.088 0.000 1.165 458 D CA 0.055 54.085 54.000 0.050 0.000 0.882 458 D CB 0.461 41.271 40.800 0.017 0.000 1.201 458 D HN 0.655 nan 8.370 nan 0.000 0.443 459 E N 0.754 121.012 120.200 0.097 0.000 2.397 459 E HA 0.238 4.588 4.350 0.000 0.000 0.254 459 E C -0.340 176.283 176.600 0.038 0.000 1.231 459 E CA -0.102 56.343 56.400 0.076 0.000 0.954 459 E CB 0.687 30.386 29.700 -0.002 0.000 1.024 459 E HN 0.399 nan 8.360 nan 0.000 0.481 460 D N -0.602 119.823 120.400 0.042 0.000 2.643 460 D HA 0.253 4.893 4.640 0.000 0.000 0.283 460 D C -1.137 175.193 176.300 0.049 0.000 1.242 460 D CA -0.601 53.415 54.000 0.027 0.000 0.863 460 D CB 1.016 41.813 40.800 -0.006 0.000 1.382 460 D HN 0.209 nan 8.370 nan 0.000 0.444 461 L N 2.313 123.562 121.223 0.043 0.000 2.490 461 L HA 0.229 4.569 4.340 0.000 0.000 0.274 461 L C -1.587 175.381 176.870 0.165 0.000 1.201 461 L CA -0.948 53.931 54.840 0.065 0.000 0.869 461 L CB 0.279 42.373 42.059 0.058 0.000 1.123 461 L HN 0.243 nan 8.230 nan 0.000 0.484 462 P HA 0.163 nan 4.420 nan 0.000 0.289 462 P C -0.124 177.297 177.300 0.202 0.000 1.299 462 P CA -0.405 62.803 63.100 0.180 0.000 0.766 462 P CB 0.568 32.295 31.700 0.044 0.000 1.226 463 G N -1.308 107.581 108.800 0.147 0.000 2.588 463 G HA2 0.488 4.448 3.960 0.000 0.000 0.281 463 G HA3 0.488 4.448 3.960 0.000 0.000 0.281 463 G C -0.428 174.536 174.900 0.105 0.000 1.236 463 G CA -0.350 44.832 45.100 0.137 0.000 0.969 463 G HN 0.642 nan 8.290 nan 0.000 0.504 464 A N -1.004 121.873 122.820 0.096 0.000 2.304 464 A HA 0.532 4.852 4.320 0.000 0.000 0.271 464 A C 0.403 178.045 177.584 0.097 0.000 1.091 464 A CA -0.375 51.715 52.037 0.089 0.000 0.812 464 A CB 0.617 19.655 19.000 0.064 0.000 1.056 464 A HN 0.825 nan 8.150 nan 0.000 0.489 465 V N 2.948 122.923 119.914 0.101 0.000 2.599 465 V HA 0.107 4.227 4.120 0.000 0.000 0.300 465 V C -1.925 174.217 176.094 0.081 0.000 1.034 465 V CA -0.488 61.878 62.300 0.111 0.000 1.115 465 V CB 0.484 32.326 31.823 0.032 0.000 0.934 465 V HN 0.760 nan 8.190 nan 0.000 0.485 466 P HA 0.148 nan 4.420 nan 0.000 0.268 466 P C 0.760 178.104 177.300 0.073 0.000 1.204 466 P CA 0.045 63.190 63.100 0.076 0.000 0.768 466 P CB 0.471 32.217 31.700 0.076 0.000 0.842 467 T N 0.929 115.517 114.554 0.056 0.000 2.995 467 T HA -0.096 4.254 4.350 0.000 0.000 0.269 467 T C 1.131 175.870 174.700 0.064 0.000 1.091 467 T CA 1.206 63.338 62.100 0.053 0.000 1.128 467 T CB -0.341 68.547 68.868 0.033 0.000 0.891 467 T HN 0.478 nan 8.240 nan 0.000 0.492 468 E N 2.044 122.281 120.200 0.062 0.000 2.150 468 E HA -0.083 4.267 4.350 0.000 0.000 0.193 468 E C 2.417 179.065 176.600 0.081 0.000 0.985 468 E CA 1.233 57.671 56.400 0.063 0.000 0.814 468 E CB -0.404 29.327 29.700 0.051 0.000 0.752 468 E HN 0.610 nan 8.360 nan 0.000 0.466 469 S N 0.928 116.683 115.700 0.092 0.000 2.406 469 S HA -0.034 4.436 4.470 0.000 0.000 0.228 469 S C 1.202 175.885 174.600 0.137 0.000 1.020 469 S CA 0.085 58.348 58.200 0.105 0.000 0.965 469 S CB -0.478 62.794 63.200 0.119 0.000 0.798 469 S HN 0.166 nan 8.310 nan 0.000 0.488 470 I N 3.813 124.480 120.570 0.162 0.000 2.624 470 I HA 0.037 4.207 4.170 0.000 0.000 0.307 470 I C 0.469 176.746 176.117 0.267 0.000 1.191 470 I CA 0.075 61.498 61.300 0.204 0.000 1.708 470 I CB -0.608 37.497 38.000 0.175 0.000 1.521 470 I HN 0.553 nan 8.210 nan 0.000 0.805 471 Q N 4.896 124.781 119.800 0.140 0.000 2.309 471 Q HA 0.785 5.125 4.340 0.000 0.000 0.264 471 Q C -0.504 175.288 176.000 -0.346 0.000 1.008 471 Q CA -0.926 54.924 55.803 0.077 0.000 0.853 471 Q CB 2.715 31.483 28.738 0.050 0.000 1.314 471 Q HN 0.487 nan 8.270 nan 0.000 0.448 472 G N 0.757 109.023 108.800 -0.889 0.000 2.571 472 G HA2 0.546 4.506 3.960 0.000 0.000 0.304 472 G HA3 0.546 4.506 3.960 0.000 0.000 0.304 472 G C -1.300 173.232 174.900 -0.614 0.000 1.314 472 G CA -0.722 43.641 45.100 -1.228 0.000 0.975 472 G HN 0.498 nan 8.290 nan 0.000 0.485 473 S N 0.438 115.986 115.700 -0.254 0.000 2.498 473 S HA 0.683 5.153 4.470 0.000 0.000 0.317 473 S C 0.288 174.881 174.600 -0.012 0.000 1.090 473 S CA -0.663 57.498 58.200 -0.065 0.000 1.089 473 S CB 1.531 64.808 63.200 0.128 0.000 0.997 473 S HN 1.002 nan 8.310 nan 0.000 0.470 474 T N 0.601 115.060 114.554 -0.158 0.000 2.929 474 T HA 0.840 5.191 4.350 0.000 0.000 0.284 474 T C -0.704 173.786 174.700 -0.350 0.000 1.014 474 T CA -0.497 61.581 62.100 -0.036 0.000 1.051 474 T CB 0.405 69.307 68.868 0.058 0.000 1.028 474 T HN 0.307 nan 8.240 nan 0.000 0.485 475 F N -0.350 119.647 119.950 0.078 0.000 2.626 475 F HA 0.389 4.917 4.527 0.000 0.000 0.311 475 F C -0.024 175.828 175.800 0.086 0.000 1.088 475 F CA -1.378 56.662 58.000 0.066 0.000 0.949 475 F CB 1.632 40.662 39.000 0.050 0.000 1.322 475 F HN 0.773 nan 8.300 nan 0.000 0.461 476 E N 0.366 120.718 120.200 0.253 0.000 2.417 476 E HA 0.176 4.526 4.350 0.000 0.000 0.261 476 E C -0.258 176.475 176.600 0.221 0.000 1.000 476 E CA 0.226 56.746 56.400 0.200 0.000 0.919 476 E CB 0.537 30.320 29.700 0.138 0.000 0.955 476 E HN 0.757 nan 8.360 nan 0.000 0.455 477 E N 0.695 121.027 120.200 0.221 0.000 3.975 477 E HA -0.285 4.065 4.350 0.000 0.000 0.342 477 E C -0.582 176.115 176.600 0.162 0.000 0.677 477 E CA 1.837 58.356 56.400 0.199 0.000 1.238 477 E CB -0.728 29.069 29.700 0.161 0.000 1.665 477 E HN 0.799 nan 8.360 nan 0.000 0.429 478 K N -0.118 120.397 120.400 0.192 0.000 2.575 478 K HA 0.715 5.035 4.320 0.000 0.000 0.279 478 K C -1.102 175.673 176.600 0.291 0.000 0.969 478 K CA -0.839 55.537 56.287 0.147 0.000 0.868 478 K CB 1.817 34.319 32.500 0.003 0.000 1.457 478 K HN 0.003 nan 8.250 nan 0.000 0.426 479 I N 1.734 122.439 120.570 0.225 0.000 2.534 479 I HA 0.320 4.490 4.170 0.000 0.000 0.288 479 I C -1.444 174.832 176.117 0.264 0.000 1.077 479 I CA -0.935 60.512 61.300 0.245 0.000 1.051 479 I CB 1.871 39.934 38.000 0.104 0.000 1.234 479 I HN 0.598 nan 8.210 nan 0.000 0.425 480 F N 8.042 128.044 119.950 0.087 0.000 2.334 480 F HA 0.507 5.034 4.527 0.000 0.000 0.367 480 F C -0.905 174.851 175.800 -0.073 0.000 1.115 480 F CA -0.826 57.190 58.000 0.026 0.000 1.116 480 F CB 0.795 39.822 39.000 0.044 0.000 1.230 480 F HN 0.271 nan 8.300 nan 0.000 0.484 481 L N 5.935 126.927 121.223 -0.386 0.000 2.312 481 L HA 0.468 4.808 4.340 0.000 0.000 0.281 481 L C -0.703 175.877 176.870 -0.484 0.000 1.070 481 L CA 0.101 54.699 54.840 -0.404 0.000 0.805 481 L CB 1.244 43.239 42.059 -0.106 0.000 1.174 481 L HN 0.765 nan 8.230 nan 0.000 0.434 482 Q N 3.771 123.373 119.800 -0.331 0.000 2.389 482 Q HA 0.621 4.961 4.340 0.000 0.000 0.277 482 Q C -1.947 174.092 176.000 0.064 0.000 1.082 482 Q CA -0.749 54.842 55.803 -0.354 0.000 0.810 482 Q CB 2.059 30.510 28.738 -0.478 0.000 1.374 482 Q HN 0.729 nan 8.270 nan 0.000 0.422 483 W N 0.648 121.834 121.300 -0.189 0.000 2.961 483 W HA 0.679 5.339 4.660 0.000 0.000 0.368 483 W C -1.650 174.803 176.519 -0.110 0.000 1.213 483 W CA -1.048 56.212 57.345 -0.142 0.000 1.173 483 W CB 0.892 30.247 29.460 -0.175 0.000 1.487 483 W HN 0.499 nan 8.180 nan 0.000 0.585 484 R N 1.312 121.918 120.500 0.175 0.000 2.778 484 R HA 0.319 4.659 4.340 0.000 0.000 0.277 484 R C -0.091 176.350 176.300 0.236 0.000 0.977 484 R CA -0.992 55.165 56.100 0.096 0.000 0.950 484 R CB 2.144 32.490 30.300 0.078 0.000 1.165 484 R HN 0.656 nan 8.270 nan 0.000 0.474 485 E N 2.275 122.596 120.200 0.202 0.000 2.422 485 E HA 0.126 4.476 4.350 0.000 0.000 0.260 485 E C -2.206 174.522 176.600 0.214 0.000 1.108 485 E CA -1.659 54.924 56.400 0.304 0.000 0.943 485 E CB 0.084 29.922 29.700 0.229 0.000 0.961 485 E HN 0.133 nan 8.360 nan 0.000 0.443 486 P HA -0.090 nan 4.420 nan 0.000 0.264 486 P C 0.639 177.961 177.300 0.036 0.000 1.193 486 P CA 0.174 63.341 63.100 0.111 0.000 0.763 486 P CB 0.782 32.531 31.700 0.082 0.000 0.810 487 T N 1.951 116.525 114.554 0.032 0.000 2.718 487 T HA -0.278 4.073 4.350 0.000 0.000 0.266 487 T C 0.471 175.135 174.700 -0.060 0.000 1.033 487 T CA 1.807 63.911 62.100 0.006 0.000 1.151 487 T CB -0.338 68.543 68.868 0.023 0.000 0.853 487 T HN 0.528 nan 8.240 nan 0.000 0.466 488 Q N -0.119 119.588 119.800 -0.155 0.000 2.374 488 Q HA 0.343 4.683 4.340 0.000 0.000 0.250 488 Q C 0.803 176.360 176.000 -0.737 0.000 0.918 488 Q CA -0.066 55.489 55.803 -0.413 0.000 0.778 488 Q CB 1.764 30.262 28.738 -0.400 0.000 1.328 488 Q HN 0.407 nan 8.270 nan 0.000 0.445 489 T N -0.234 114.003 114.554 -0.527 0.000 3.009 489 T HA -0.013 4.337 4.350 0.000 0.000 0.258 489 T C 0.390 174.934 174.700 -0.261 0.000 1.063 489 T CA 0.643 62.548 62.100 -0.324 0.000 1.139 489 T CB -0.278 68.496 68.868 -0.156 0.000 0.890 489 T HN 0.725 nan 8.240 nan 0.000 0.471 490 Y N 1.683 121.997 120.300 0.023 0.000 3.234 490 Y HA 0.000 4.550 4.550 0.000 0.000 0.207 490 Y C 0.905 176.774 175.900 -0.051 0.000 1.316 490 Y CA 0.166 58.286 58.100 0.032 0.000 1.309 490 Y CB -1.970 36.507 38.460 0.029 0.000 1.408 490 Y HN 0.916 nan 8.280 nan 0.000 0.544 491 G N -2.107 106.623 108.800 -0.118 0.000 2.369 491 G HA2 0.271 4.231 3.960 0.000 0.000 0.307 491 G HA3 0.271 4.231 3.960 0.000 0.000 0.307 491 G C -1.272 173.291 174.900 -0.563 0.000 1.327 491 G CA -0.745 44.011 45.100 -0.573 0.000 0.963 491 G HN 0.399 nan 8.290 nan 0.000 0.590 492 V N 1.542 121.081 119.914 -0.625 0.000 2.461 492 V HA 0.340 4.460 4.120 0.000 0.000 0.275 492 V C 0.746 176.699 176.094 -0.235 0.000 1.047 492 V CA -0.728 61.369 62.300 -0.338 0.000 0.955 492 V CB 1.326 32.995 31.823 -0.257 0.000 0.988 492 V HN 0.544 nan 8.190 nan 0.000 0.471 493 I N 5.719 126.178 120.570 -0.184 0.000 2.436 493 I HA 0.087 4.257 4.170 0.000 0.000 0.289 493 I C 1.577 177.569 176.117 -0.209 0.000 1.083 493 I CA 0.512 61.680 61.300 -0.220 0.000 1.372 493 I CB 0.944 38.799 38.000 -0.242 0.000 1.408 493 I HN 0.873 nan 8.210 nan 0.000 0.516 494 T N 4.425 118.847 114.554 -0.219 0.000 3.040 494 T HA 0.201 4.551 4.350 0.000 0.000 0.252 494 T C 0.428 175.048 174.700 -0.134 0.000 1.064 494 T CA 0.200 62.206 62.100 -0.157 0.000 1.110 494 T CB 0.385 69.160 68.868 -0.154 0.000 0.921 494 T HN 0.279 nan 8.240 nan 0.000 0.480 495 L N -0.037 121.066 121.223 -0.199 0.000 2.465 495 L HA 0.567 4.907 4.340 0.000 0.000 0.257 495 L C -2.097 174.676 176.870 -0.161 0.000 0.988 495 L CA -1.362 53.431 54.840 -0.079 0.000 0.827 495 L CB 2.270 44.309 42.059 -0.033 0.000 1.397 495 L HN 0.206 nan 8.230 nan 0.000 0.410 496 Y N 1.817 122.249 120.300 0.221 0.000 2.331 496 Y HA 0.446 4.996 4.550 0.000 0.000 0.334 496 Y C -0.005 176.020 175.900 0.207 0.000 0.960 496 Y CA -0.535 57.703 58.100 0.229 0.000 1.130 496 Y CB 1.787 40.418 38.460 0.284 0.000 1.164 496 Y HN 0.438 nan 8.280 nan 0.000 0.458 497 E N 5.300 125.713 120.200 0.356 0.000 2.283 497 E HA 0.406 4.756 4.350 0.000 0.000 0.278 497 E C -1.408 175.201 176.600 0.015 0.000 1.027 497 E CA -0.487 55.993 56.400 0.133 0.000 0.843 497 E CB 1.467 31.071 29.700 -0.160 0.000 1.062 497 E HN 0.799 nan 8.360 nan 0.000 0.401 498 I N 2.935 123.501 120.570 -0.007 0.000 2.586 498 I HA 0.262 4.432 4.170 0.000 0.000 0.288 498 I C -0.802 175.364 176.117 0.081 0.000 1.147 498 I CA -0.295 60.997 61.300 -0.013 0.000 1.047 498 I CB 1.870 39.835 38.000 -0.058 0.000 1.244 498 I HN 0.524 nan 8.210 nan 0.000 0.429 499 T N 3.788 118.373 114.554 0.052 0.000 2.943 499 T HA 0.702 5.052 4.350 0.000 0.000 0.284 499 T C -0.821 173.916 174.700 0.063 0.000 1.015 499 T CA -0.419 61.703 62.100 0.036 0.000 1.042 499 T CB 1.534 70.350 68.868 -0.087 0.000 1.055 499 T HN 0.651 nan 8.240 nan 0.000 0.500 500 Y N -1.082 119.102 120.300 -0.194 0.000 2.479 500 Y HA 0.826 5.376 4.550 0.000 0.000 0.338 500 Y C -1.380 174.360 175.900 -0.267 0.000 1.055 500 Y CA -1.405 56.430 58.100 -0.443 0.000 1.023 500 Y CB 1.508 39.517 38.460 -0.751 0.000 1.287 500 Y HN 0.616 nan 8.280 nan 0.000 0.447 501 K N 2.290 122.523 120.400 -0.279 0.000 2.427 501 K HA 0.787 5.107 4.320 0.000 0.000 0.252 501 K C -0.996 175.469 176.600 -0.225 0.000 0.931 501 K CA -0.764 55.381 56.287 -0.237 0.000 0.793 501 K CB 2.364 34.732 32.500 -0.220 0.000 1.211 501 K HN 0.893 nan 8.250 nan 0.000 0.426 502 A N 1.984 124.628 122.820 -0.294 0.000 2.409 502 A HA 0.247 4.567 4.320 0.000 0.000 0.267 502 A C 0.537 177.923 177.584 -0.330 0.000 1.127 502 A CA -0.279 51.398 52.037 -0.600 0.000 0.795 502 A CB 0.256 18.949 19.000 -0.512 0.000 1.061 502 A HN 0.566 nan 8.150 nan 0.000 0.502 503 V N 2.127 121.858 119.914 -0.306 0.000 3.212 503 V HA 0.155 4.275 4.120 0.000 0.000 0.244 503 V C 0.880 176.897 176.094 -0.129 0.000 1.151 503 V CA 1.795 63.988 62.300 -0.179 0.000 1.119 503 V CB 0.119 31.853 31.823 -0.148 0.000 0.838 503 V HN 1.203 nan 8.190 nan 0.000 0.470 504 S N -1.006 114.617 115.700 -0.128 0.000 2.636 504 S HA 0.686 5.156 4.470 0.000 0.000 0.266 504 S C -0.703 173.874 174.600 -0.038 0.000 1.147 504 S CA 0.047 58.203 58.200 -0.074 0.000 0.815 504 S CB 2.057 65.219 63.200 -0.063 0.000 1.119 504 S HN 0.699 nan 8.310 nan 0.000 0.470 505 S N -0.370 115.327 115.700 -0.005 0.000 2.615 505 S HA 0.704 5.174 4.470 0.000 0.000 0.269 505 S C -1.499 173.143 174.600 0.069 0.000 1.161 505 S CA -0.954 57.289 58.200 0.073 0.000 0.817 505 S CB 0.371 63.623 63.200 0.086 0.000 1.131 505 S HN 0.744 nan 8.310 nan 0.000 0.467 506 F N 2.597 122.553 119.950 0.009 0.000 2.552 506 F HA 0.298 4.825 4.527 0.000 0.000 0.342 506 F C 0.903 176.699 175.800 -0.007 0.000 1.257 506 F CA 0.413 58.415 58.000 0.004 0.000 1.058 506 F CB -0.300 38.707 39.000 0.011 0.000 1.288 506 F HN 0.792 nan 8.300 nan 0.000 0.627 512 L N 0.570 121.838 121.223 0.076 0.000 2.791 512 L HA 0.432 4.772 4.340 0.000 0.000 0.239 512 L C 0.227 177.135 176.870 0.064 0.000 1.203 512 L CA 0.222 55.094 54.840 0.052 0.000 1.002 512 L CB -0.782 41.299 42.059 0.037 0.000 1.295 512 L HN 0.300 nan 8.230 nan 0.000 0.504 513 S N 0.561 116.335 115.700 0.124 0.000 3.486 513 S HA -0.249 4.221 4.470 0.000 0.000 0.371 513 S C 0.634 175.253 174.600 0.033 0.000 1.001 513 S CA 0.939 59.201 58.200 0.103 0.000 1.164 513 S CB -1.714 61.499 63.200 0.021 0.000 0.911 513 S HN 0.735 nan 8.310 nan 0.000 0.472 514 N N 2.374 121.105 118.700 0.050 0.000 2.605 514 N HA 0.199 4.940 4.740 0.000 0.000 0.258 514 N C -0.177 175.333 175.510 -0.001 0.000 1.156 514 N CA 0.217 53.274 53.050 0.011 0.000 1.008 514 N CB 0.170 38.669 38.487 0.019 0.000 1.354 514 N HN 0.384 nan 8.380 nan 0.000 0.509 515 Q N 1.317 121.105 119.800 -0.020 0.000 3.966 515 Q HA 0.229 4.569 4.340 0.000 0.000 0.198 515 Q C -1.371 174.649 176.000 0.032 0.000 0.872 515 Q CA -0.133 55.684 55.803 0.024 0.000 0.767 515 Q CB 0.523 29.243 28.738 -0.031 0.000 1.516 515 Q HN 0.409 nan 8.270 nan 0.000 0.434 516 S N -1.151 114.482 115.700 -0.112 0.000 2.697 516 S HA 1.002 5.473 4.470 0.000 0.000 0.289 516 S C -0.347 173.866 174.600 -0.646 0.000 1.149 516 S CA -0.354 57.548 58.200 -0.497 0.000 0.850 516 S CB 2.269 65.265 63.200 -0.340 0.000 1.151 516 S HN 0.571 nan 8.310 nan 0.000 0.491 517 G N 0.498 108.677 108.800 -1.036 0.000 2.328 517 G HA2 0.534 4.494 3.960 0.000 0.000 0.295 517 G HA3 0.534 4.494 3.960 0.000 0.000 0.295 517 G C -2.055 172.680 174.900 -0.275 0.000 1.413 517 G CA -0.948 43.898 45.100 -0.422 0.000 0.817 517 G HN 0.827 nan 8.290 nan 0.000 0.546 518 R N -1.386 119.137 120.500 0.039 0.000 2.807 518 R HA 0.895 5.235 4.340 0.000 0.000 0.276 518 R C -1.686 174.717 176.300 0.171 0.000 0.979 518 R CA -0.930 55.227 56.100 0.095 0.000 0.928 518 R CB 2.430 32.730 30.300 0.000 0.000 1.191 518 R HN 0.982 nan 8.270 nan 0.000 0.471 519 V N 1.151 121.124 119.914 0.099 0.000 3.078 519 V HA 0.722 4.842 4.120 0.000 0.000 0.311 519 V C -1.299 174.800 176.094 0.008 0.000 1.138 519 V CA -0.357 61.947 62.300 0.007 0.000 1.007 519 V CB 2.834 34.457 31.823 -0.334 0.000 1.045 519 V HN 1.126 nan 8.190 nan 0.000 0.432 520 S N 3.593 119.361 115.700 0.113 0.000 2.599 520 S HA 0.867 5.337 4.470 0.000 0.000 0.287 520 S C -0.998 173.782 174.600 0.299 0.000 1.105 520 S CA -0.866 57.452 58.200 0.197 0.000 0.899 520 S CB 2.136 65.451 63.200 0.192 0.000 1.100 520 S HN 0.967 nan 8.310 nan 0.000 0.482 521 K N 0.916 121.505 120.400 0.315 0.000 2.557 521 K HA 0.449 4.769 4.320 0.000 0.000 0.257 521 K C -1.605 175.147 176.600 0.253 0.000 0.933 521 K CA -0.839 55.635 56.287 0.312 0.000 0.820 521 K CB 0.987 33.742 32.500 0.425 0.000 1.330 521 K HN 0.492 nan 8.250 nan 0.000 0.432 522 L N 3.030 124.347 121.223 0.156 0.000 2.554 522 L HA 0.039 4.380 4.340 0.000 0.000 0.293 522 L C 1.812 178.771 176.870 0.149 0.000 1.252 522 L CA 1.387 56.289 54.840 0.104 0.000 0.862 522 L CB 0.448 42.542 42.059 0.059 0.000 1.113 522 L HN 1.019 nan 8.230 nan 0.000 0.510 523 G N 2.152 110.988 108.800 0.060 0.000 2.462 523 G HA2 -0.277 3.683 3.960 0.000 0.000 0.220 523 G HA3 -0.277 3.683 3.960 0.000 0.000 0.220 523 G C 1.107 176.100 174.900 0.155 0.000 1.121 523 G CA 0.810 45.933 45.100 0.039 0.000 0.758 523 G HN 0.848 nan 8.290 nan 0.000 0.559 524 N N 1.210 119.963 118.700 0.088 0.000 2.521 524 N HA -0.032 4.708 4.740 0.000 0.000 0.188 524 N C 0.227 175.766 175.510 0.050 0.000 1.146 524 N CA 0.583 53.671 53.050 0.064 0.000 0.893 524 N CB -0.106 38.400 38.487 0.033 0.000 0.975 524 N HN 0.618 nan 8.380 nan 0.000 0.451 525 E N -0.660 119.569 120.200 0.049 0.000 2.260 525 E HA 0.230 4.580 4.350 0.000 0.000 0.266 525 E C -1.232 175.229 176.600 -0.231 0.000 0.887 525 E CA -0.864 55.491 56.400 -0.075 0.000 0.777 525 E CB 0.916 30.530 29.700 -0.143 0.000 1.205 525 E HN 0.114 nan 8.360 nan 0.000 0.414 526 T N 0.798 115.058 114.554 -0.490 0.000 3.383 526 T HA 0.395 4.745 4.350 0.000 0.000 0.324 526 T C -0.547 173.025 174.700 -1.879 0.000 1.822 526 T CA -0.533 60.730 62.100 -1.395 0.000 1.424 526 T CB -0.859 67.263 68.868 -1.243 0.000 1.093 526 T HN 0.706 nan 8.240 nan 0.000 0.748 527 H N -1.118 117.080 119.070 -1.453 0.000 3.003 527 H HA 0.719 5.275 4.556 0.000 0.000 0.327 527 H C -2.124 173.082 175.328 -0.203 0.000 1.353 527 H CA -1.657 53.817 56.048 -0.957 0.000 1.142 527 H CB 1.058 30.508 29.762 -0.521 0.000 1.864 527 H HN 0.214 nan 8.280 nan 0.000 0.529 528 F N 1.937 121.856 119.950 -0.052 0.000 2.630 528 F HA 0.342 4.870 4.527 0.000 0.000 0.325 528 F C -1.763 173.939 175.800 -0.163 0.000 1.184 528 F CA -1.059 56.866 58.000 -0.125 0.000 1.011 528 F CB 1.860 40.684 39.000 -0.294 0.000 1.268 528 F HN 0.703 nan 8.300 nan 0.000 0.480 529 L N 6.999 128.149 121.223 -0.122 0.000 2.295 529 L HA 0.448 4.788 4.340 0.000 0.000 0.288 529 L C -1.313 175.487 176.870 -0.117 0.000 1.079 529 L CA 0.050 54.922 54.840 0.052 0.000 0.830 529 L CB -0.464 41.598 42.059 0.005 0.000 1.200 529 L HN 0.405 nan 8.230 nan 0.000 0.438 530 F N 6.009 125.965 119.950 0.010 0.000 2.467 530 F HA 0.183 4.710 4.527 0.000 0.000 0.362 530 F C 0.920 176.553 175.800 -0.277 0.000 1.090 530 F CA -0.070 57.743 58.000 -0.312 0.000 1.202 530 F CB 0.395 39.152 39.000 -0.406 0.000 1.113 530 F HN 0.577 nan 8.300 nan 0.000 0.541 531 F N 0.956 120.982 119.950 0.126 0.000 2.053 531 F HA 0.206 4.734 4.527 0.000 0.000 0.292 531 F C 1.510 177.331 175.800 0.036 0.000 1.125 531 F CA 0.383 58.415 58.000 0.053 0.000 1.193 531 F CB -1.114 37.920 39.000 0.057 0.000 0.996 531 F HN 0.334 nan 8.300 nan 0.000 0.470 532 G N 1.301 110.365 108.800 0.441 0.000 3.703 532 G HA2 0.553 4.513 3.960 0.000 0.000 0.311 532 G HA3 0.553 4.513 3.960 0.000 0.000 0.311 532 G C -0.862 174.167 174.900 0.215 0.000 1.430 532 G CA -0.474 44.785 45.100 0.265 0.000 0.785 532 G HN 0.145 nan 8.290 nan 0.000 0.491 533 L N 0.034 121.353 121.223 0.159 0.000 2.472 533 L HA 0.531 4.871 4.340 0.000 0.000 0.256 533 L C 0.092 177.150 176.870 0.314 0.000 1.111 533 L CA -1.374 53.557 54.840 0.151 0.000 0.800 533 L CB 1.070 43.114 42.059 -0.025 0.000 1.286 533 L HN 0.304 nan 8.230 nan 0.000 0.479 534 Y N 0.906 121.410 120.300 0.341 0.000 2.299 534 Y HA 0.211 4.762 4.550 0.000 0.000 0.326 534 Y C -1.823 174.229 175.900 0.253 0.000 1.164 534 Y CA -2.258 55.995 58.100 0.254 0.000 1.234 534 Y CB 1.278 39.867 38.460 0.216 0.000 1.219 534 Y HN 0.300 nan 8.280 nan 0.000 0.497 535 P HA 0.071 nan 4.420 nan 0.000 0.276 535 P C 0.519 177.937 177.300 0.198 0.000 1.252 535 P CA 0.319 63.556 63.100 0.229 0.000 0.802 535 P CB 1.077 32.864 31.700 0.145 0.000 1.035 536 G N -0.012 108.882 108.800 0.156 0.000 2.205 536 G HA2 -0.217 3.743 3.960 0.000 0.000 0.269 536 G HA3 -0.217 3.743 3.960 0.000 0.000 0.269 536 G C 0.244 175.277 174.900 0.223 0.000 0.977 536 G CA 0.811 45.999 45.100 0.148 0.000 0.652 536 G HN 0.704 nan 8.290 nan 0.000 0.539 537 T N 0.259 114.955 114.554 0.237 0.000 2.934 537 T HA 0.624 4.974 4.350 0.000 0.000 0.283 537 T C 0.418 175.217 174.700 0.164 0.000 1.005 537 T CA 0.430 62.629 62.100 0.165 0.000 1.041 537 T CB 1.854 70.811 68.868 0.148 0.000 1.042 537 T HN 0.880 nan 8.240 nan 0.000 0.505 538 T N 0.623 115.185 114.554 0.015 0.000 2.792 538 T HA 0.603 4.953 4.350 0.000 0.000 0.280 538 T C -1.313 173.322 174.700 -0.108 0.000 0.990 538 T CA -0.668 61.472 62.100 0.067 0.000 0.960 538 T CB 0.215 69.115 68.868 0.053 0.000 0.939 538 T HN 0.465 nan 8.240 nan 0.000 0.439 539 Y N 2.040 122.349 120.300 0.016 0.000 2.360 539 Y HA 0.576 5.126 4.550 0.000 0.000 0.337 539 Y C 0.914 176.638 175.900 -0.294 0.000 1.039 539 Y CA -0.723 57.246 58.100 -0.218 0.000 1.109 539 Y CB 2.136 40.349 38.460 -0.411 0.000 1.201 539 Y HN 0.752 nan 8.280 nan 0.000 0.458 540 S N 3.621 119.163 115.700 -0.263 0.000 2.480 540 S HA 0.631 5.101 4.470 0.000 0.000 0.286 540 S C -1.245 173.107 174.600 -0.413 0.000 1.180 540 S CA -0.452 57.626 58.200 -0.204 0.000 1.075 540 S CB -0.071 63.044 63.200 -0.143 0.000 0.996 540 S HN 0.440 nan 8.310 nan 0.000 0.487 541 F N 2.213 122.162 119.950 -0.001 0.000 2.507 541 F HA 0.441 4.969 4.527 0.000 0.000 0.325 541 F C 0.474 176.239 175.800 -0.059 0.000 1.116 541 F CA -0.654 57.319 58.000 -0.046 0.000 0.930 541 F CB 2.509 41.471 39.000 -0.063 0.000 1.146 541 F HN 0.344 nan 8.300 nan 0.000 0.447 542 T N 4.645 119.242 114.554 0.071 0.000 2.847 542 T HA 0.562 4.912 4.350 0.000 0.000 0.291 542 T C -0.317 174.348 174.700 -0.058 0.000 0.998 542 T CA -0.408 61.687 62.100 -0.009 0.000 0.967 542 T CB 0.749 69.591 68.868 -0.043 0.000 0.954 542 T HN 0.298 nan 8.240 nan 0.000 0.441 543 I N 3.167 123.663 120.570 -0.123 0.000 2.428 543 I HA 0.506 4.676 4.170 0.000 0.000 0.296 543 I C 0.475 176.529 176.117 -0.104 0.000 0.985 543 I CA -0.773 60.398 61.300 -0.214 0.000 1.260 543 I CB 1.138 38.831 38.000 -0.512 0.000 1.389 543 I HN 0.286 nan 8.210 nan 0.000 0.484 544 R N 4.495 124.976 120.500 -0.032 0.000 2.502 544 R HA 0.628 4.968 4.340 0.000 0.000 0.300 544 R C -0.793 175.675 176.300 0.280 0.000 0.984 544 R CA -0.744 55.403 56.100 0.078 0.000 0.882 544 R CB 2.072 32.347 30.300 -0.042 0.000 1.180 544 R HN 0.737 nan 8.270 nan 0.000 0.444 545 A N 1.804 124.793 122.820 0.282 0.000 2.366 545 A HA 0.486 4.806 4.320 0.000 0.000 0.249 545 A C -0.092 177.558 177.584 0.111 0.000 1.084 545 A CA -0.049 52.078 52.037 0.151 0.000 0.794 545 A CB 1.122 20.196 19.000 0.125 0.000 1.034 545 A HN 0.553 nan 8.150 nan 0.000 0.491 546 S N -1.073 114.535 115.700 -0.153 0.000 2.564 546 S HA 0.743 5.213 4.470 0.000 0.000 0.274 546 S C -0.449 173.978 174.600 -0.288 0.000 1.124 546 S CA -0.329 57.686 58.200 -0.308 0.000 0.869 546 S CB 1.758 64.501 63.200 -0.761 0.000 1.105 546 S HN 0.932 nan 8.310 nan 0.000 0.472 547 T N 1.838 116.235 114.554 -0.262 0.000 2.907 547 T HA 0.655 5.005 4.350 0.000 0.000 0.290 547 T C 1.431 176.009 174.700 -0.202 0.000 1.066 547 T CA 0.095 62.073 62.100 -0.204 0.000 1.012 547 T CB 1.321 70.108 68.868 -0.137 0.000 1.184 547 T HN 0.846 nan 8.240 nan 0.000 0.522 548 A N 1.162 123.887 122.820 -0.159 0.000 1.940 548 A HA -0.166 4.154 4.320 0.000 0.000 0.221 548 A C 1.642 179.160 177.584 -0.111 0.000 1.190 548 A CA 1.803 53.767 52.037 -0.122 0.000 0.647 548 A CB -0.468 18.482 19.000 -0.084 0.000 0.821 548 A HN 0.707 nan 8.150 nan 0.000 0.457 549 K N -0.662 119.680 120.400 -0.096 0.000 2.469 549 K HA 0.361 4.681 4.320 0.000 0.000 0.201 549 K C 0.668 177.216 176.600 -0.088 0.000 1.028 549 K CA 0.432 56.676 56.287 -0.072 0.000 1.170 549 K CB -0.298 32.178 32.500 -0.039 0.000 0.874 549 K HN 0.738 nan 8.250 nan 0.000 0.507 550 G N 1.035 109.734 108.800 -0.168 0.000 2.483 550 G HA2 -0.212 3.748 3.960 0.000 0.000 0.521 550 G HA3 -0.212 3.748 3.960 0.000 0.000 0.521 550 G C -0.984 173.773 174.900 -0.238 0.000 1.278 550 G CA -1.093 43.866 45.100 -0.235 0.000 0.965 550 G HN 0.113 nan 8.290 nan 0.000 0.504 551 F N 2.007 121.952 119.950 -0.009 0.000 2.427 551 F HA 0.511 5.038 4.527 0.000 0.000 0.352 551 F C 1.591 177.394 175.800 0.006 0.000 1.100 551 F CA 0.835 58.831 58.000 -0.006 0.000 1.191 551 F CB 1.260 40.259 39.000 -0.003 0.000 1.128 551 F HN 0.753 nan 8.300 nan 0.000 0.533 552 G N 3.228 112.149 108.800 0.202 0.000 2.516 552 G HA2 0.453 4.413 3.960 0.000 0.000 0.276 552 G HA3 0.453 4.413 3.960 0.000 0.000 0.276 552 G C -2.590 172.394 174.900 0.139 0.000 1.390 552 G CA -1.095 44.092 45.100 0.145 0.000 1.050 552 G HN 0.375 nan 8.290 nan 0.000 0.519 553 P HA 0.363 nan 4.420 nan 0.000 0.278 553 P C -2.814 174.518 177.300 0.053 0.000 1.266 553 P CA -1.580 61.561 63.100 0.067 0.000 0.807 553 P CB 1.325 33.062 31.700 0.060 0.000 1.094 554 P HA 0.383 nan 4.420 nan 0.000 0.303 554 P C -1.018 176.282 177.300 -0.001 0.000 1.350 554 P CA -0.542 62.557 63.100 -0.002 0.000 0.880 554 P CB 1.317 33.001 31.700 -0.026 0.000 1.018 555 A N 2.622 125.435 122.820 -0.012 0.000 2.264 555 A HA 0.804 5.124 4.320 0.000 0.000 0.304 555 A C 0.030 177.600 177.584 -0.024 0.000 1.100 555 A CA -0.295 51.735 52.037 -0.012 0.000 0.839 555 A CB 0.523 19.516 19.000 -0.011 0.000 1.121 555 A HN 0.588 nan 8.150 nan 0.000 0.496 556 T N 0.045 114.596 114.554 -0.006 0.000 2.957 556 T HA 0.543 4.893 4.350 0.000 0.000 0.336 556 T C -1.604 173.109 174.700 0.020 0.000 1.462 556 T CA -0.647 61.458 62.100 0.009 0.000 1.073 556 T CB 1.167 70.031 68.868 -0.008 0.000 1.319 556 T HN 0.962 nan 8.240 nan 0.000 0.485 557 N N 1.115 119.850 118.700 0.058 0.000 3.046 557 N HA 0.400 5.140 4.740 0.000 0.000 0.243 557 N C -2.035 173.505 175.510 0.049 0.000 1.452 557 N CA -0.488 52.563 53.050 0.002 0.000 0.882 557 N CB 2.253 40.742 38.487 0.003 0.000 1.425 557 N HN 0.908 nan 8.380 nan 0.000 0.517 558 Q N 0.746 120.442 119.800 -0.173 0.000 2.394 558 Q HA 0.710 5.050 4.340 0.000 0.000 0.273 558 Q C -1.471 174.283 176.000 -0.410 0.000 1.089 558 Q CA -0.606 55.156 55.803 -0.069 0.000 0.812 558 Q CB 2.170 30.867 28.738 -0.068 0.000 1.353 558 Q HN 0.402 nan 8.270 nan 0.000 0.438 559 F N 0.060 120.185 119.950 0.293 0.000 2.613 559 F HA 0.597 5.124 4.527 0.000 0.000 0.314 559 F C -0.269 175.690 175.800 0.265 0.000 1.075 559 F CA -0.769 57.370 58.000 0.231 0.000 0.945 559 F CB 2.764 41.880 39.000 0.194 0.000 1.310 559 F HN 0.633 nan 8.300 nan 0.000 0.467 560 T N 0.222 115.007 114.554 0.384 0.000 2.848 560 T HA 0.511 4.861 4.350 0.000 0.000 0.285 560 T C -0.333 174.536 174.700 0.282 0.000 0.995 560 T CA -0.593 61.692 62.100 0.308 0.000 0.970 560 T CB 0.793 69.783 68.868 0.203 0.000 0.976 560 T HN 0.781 nan 8.240 nan 0.000 0.441 561 T N 2.746 117.486 114.554 0.309 0.000 2.855 561 T HA 0.382 4.732 4.350 0.000 0.000 0.314 561 T C 0.444 175.245 174.700 0.168 0.000 1.077 561 T CA -0.685 61.566 62.100 0.252 0.000 1.095 561 T CB 0.192 69.241 68.868 0.301 0.000 0.987 561 T HN 0.589 nan 8.240 nan 0.000 0.546 562 K N 0.744 121.217 120.400 0.122 0.000 2.187 562 K HA 0.479 4.800 4.320 0.000 0.000 0.247 562 K C 0.430 177.060 176.600 0.051 0.000 1.019 562 K CA -0.555 55.770 56.287 0.063 0.000 0.893 562 K CB 0.070 32.593 32.500 0.039 0.000 1.025 562 K HN 0.761 nan 8.250 nan 0.000 0.500 563 I N -3.694 116.869 120.570 -0.011 0.000 3.206 563 I HA 0.691 4.861 4.170 0.000 0.000 0.313 563 I C -0.667 175.427 176.117 -0.038 0.000 1.103 563 I CA -0.634 60.638 61.300 -0.048 0.000 0.985 563 I CB 2.486 40.382 38.000 -0.174 0.000 1.240 563 I HN 0.342 nan 8.210 nan 0.000 0.464 564 S N 0.772 116.448 115.700 -0.040 0.000 2.567 564 S HA 0.641 5.112 4.470 0.000 0.000 0.270 564 S C -0.686 173.896 174.600 -0.030 0.000 1.152 564 S CA -0.282 57.901 58.200 -0.027 0.000 0.835 564 S CB 1.620 64.821 63.200 0.002 0.000 1.115 564 S HN 1.076 nan 8.310 nan 0.000 0.459 565 A N 3.052 125.858 122.820 -0.024 0.000 2.587 565 A HA 0.416 4.737 4.320 0.000 0.000 0.235 565 A C -1.881 175.698 177.584 -0.008 0.000 1.044 565 A CA -0.041 51.986 52.037 -0.018 0.000 0.754 565 A CB -0.852 18.142 19.000 -0.011 0.000 0.968 565 A HN 0.476 nan 8.150 nan 0.000 0.509 566 P HA 0.461 nan 4.420 nan 0.000 0.276 566 P C -0.518 176.784 177.300 0.004 0.000 1.261 566 P CA -0.400 62.699 63.100 -0.000 0.000 0.800 566 P CB 1.288 32.987 31.700 -0.002 0.000 1.066 567 S N 0.328 116.032 115.700 0.008 0.000 2.592 567 S HA 0.690 5.160 4.470 0.000 0.000 0.275 567 S C -1.046 173.560 174.600 0.011 0.000 1.169 567 S CA -0.544 57.662 58.200 0.009 0.000 0.958 567 S CB 0.078 63.285 63.200 0.011 0.000 1.095 567 S HN 0.445 nan 8.310 nan 0.000 0.471 568 M N 0.000 119.606 119.600 0.009 0.000 2.572 568 M HA 0.000 4.480 4.480 0.000 0.000 0.227 568 M CA 0.000 55.304 55.300 0.007 0.000 0.988 568 M CB 0.000 32.604 32.600 0.007 0.000 1.302 568 M HN 0.000 nan 8.290 nan 0.000 0.411