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 3fey_1_A DATA FIRST_RESID 2 DATA SEQUENCE SRRRHSDEND GGQPHKRRKT SDANETEDHL ESLICKVGEK SACSLESNLE DATA SEQUENCE GLAGVLEADL PNYKSKILRL LCTVARLLPE KLTIYTTLVG LLNARNYNFG DATA SEQUENCE GEFVEAMIRQ LKESLKANNY NEAVYLVRFL SDLVNCHVIA APSMVAMFEN DATA SEQUENCE FVSVTQEEDV PQVRRDWYVY AFLSSLPWVG KELYEKKDAE MDRIFANTES DATA SEQUENCE YLKRRQKTHV PMLQVWTADK PHPQEEYLDC LWAQIQKLKK DRWQERHILR DATA SEQUENCE PYLAFDSILC EALQHNLPPF TPPPHTEDSV YPMPRVIFRM FDYTDDPEGP DATA SEQUENCE VMPGSHSVER FVIEENLHCI IKSHWKERKT CAAQLVSYPG KNKIPLNYHI DATA SEQUENCE VEVIFAELFQ LPAPPHIDVM YTTLLIELCK LQPGSLPQVL AQATEMLYMR DATA SEQUENCE LDTMNTTCVD RFINWFSHHL SNFQFRWSWE DWSDCLSQDP ESPKPKFVRE DATA SEQUENCE VLEKCMRLSY HQRILDIVPP TFSALCPANP TCIYKYGDES SNSLPGHSVA DATA SEQUENCE LCLAVAFKSK ATNDEIFSIL KDVPXXXXXX XXXXXXXFNP LKIEVFVQTL DATA SEQUENCE LHLAAKSFSH SFSALAKFHE VFKTLAESDE GKLHVLRVMF EVWRNHPQMI DATA SEQUENCE AVLVDKMIRT QIVDCAAVAN WIFSSELSRD FTRLFVWEIL HSTIRKMNKH DATA SEQUENCE VLKIQKELEE AKEKLAXXXX XXXXXXXXXX XRKDGVLEEQ IERLQEKVES DATA SEQUENCE AQSEQKNLFL VIFQRFIMIL TEHLVRCETD GTSVLTPWYK NCIERLQQIF DATA SEQUENCE LQHHQIIQQY MVTLENLLFT AELDPHILAV FQQFCALQA 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.600 174.600 0.000 0.000 1.055 2 S CA 0.000 58.200 58.200 -0.000 0.000 1.107 2 S CB 0.000 63.200 63.200 -0.000 0.000 0.593 3 R N 1.629 122.129 120.500 -0.000 0.000 2.491 3 R HA 0.459 4.801 4.340 0.002 0.000 0.283 3 R C -0.481 175.818 176.300 -0.003 0.000 1.072 3 R CA 0.479 56.579 56.100 0.001 0.000 1.048 3 R CB 0.406 30.707 30.300 0.001 0.000 0.983 3 R HN 0.290 nan 8.270 nan 0.000 0.450 4 R N 2.519 123.018 120.500 -0.001 0.000 2.532 4 R HA 0.281 4.622 4.340 0.002 0.000 0.297 4 R C -0.480 175.814 176.300 -0.009 0.000 0.984 4 R CA -0.900 55.195 56.100 -0.007 0.000 0.884 4 R CB 2.329 32.628 30.300 -0.002 0.000 1.182 4 R HN 0.445 nan 8.270 nan 0.000 0.442 5 R N 1.196 121.672 120.500 -0.041 0.000 2.679 5 R HA 0.066 4.407 4.340 0.002 0.000 0.269 5 R C -0.048 176.200 176.300 -0.086 0.000 1.076 5 R CA -0.472 55.576 56.100 -0.087 0.000 1.160 5 R CB 0.187 30.370 30.300 -0.196 0.000 1.054 5 R HN 0.639 nan 8.270 nan 0.000 0.507 6 H N -1.132 117.940 119.070 0.003 0.000 3.064 6 H HA 0.147 4.705 4.556 0.003 0.000 0.329 6 H C -0.282 175.048 175.328 0.005 0.000 1.020 6 H CA -0.263 55.788 56.048 0.004 0.000 1.402 6 H CB 0.438 30.202 29.762 0.004 0.000 1.379 6 H HN 0.567 nan 8.280 nan 0.000 0.594 7 S N 0.973 116.714 115.700 0.068 0.000 2.726 7 S HA 0.336 4.807 4.470 0.002 0.000 0.308 7 S C -0.562 174.078 174.600 0.067 0.000 1.115 7 S CA -0.616 57.599 58.200 0.026 0.000 0.965 7 S CB 1.369 64.573 63.200 0.006 0.000 1.145 7 S HN 0.894 nan 8.310 nan 0.000 0.532 8 D N 0.471 120.897 120.400 0.044 0.000 2.737 8 D HA -0.125 4.517 4.640 0.002 0.000 0.243 8 D C -0.536 175.812 176.300 0.079 0.000 1.109 8 D CA 0.530 54.560 54.000 0.050 0.000 0.702 8 D CB -0.794 40.035 40.800 0.047 0.000 1.068 8 D HN 0.788 nan 8.370 nan 0.000 0.432 9 E N 0.978 121.219 120.200 0.069 0.000 1.954 9 E HA -0.060 4.292 4.350 0.002 0.000 0.272 9 E C 0.291 176.980 176.600 0.150 0.000 1.170 9 E CA 0.111 56.574 56.400 0.106 0.000 1.101 9 E CB 0.033 29.741 29.700 0.013 0.000 1.076 9 E HN 0.174 nan 8.360 nan 0.000 0.449 10 N N 1.485 120.291 118.700 0.178 0.000 2.477 10 N HA 0.037 4.779 4.740 0.002 0.000 0.284 10 N C -0.081 175.477 175.510 0.080 0.000 1.182 10 N CA -0.573 52.544 53.050 0.111 0.000 0.949 10 N CB 1.287 39.809 38.487 0.058 0.000 1.204 10 N HN 0.203 nan 8.380 nan 0.000 0.526 11 D N -0.364 120.048 120.400 0.021 0.000 2.424 11 D HA 0.259 4.901 4.640 0.002 0.000 0.220 11 D C 0.902 177.135 176.300 -0.113 0.000 1.150 11 D CA 0.176 54.137 54.000 -0.065 0.000 0.831 11 D CB -0.234 40.568 40.800 0.002 0.000 0.981 11 D HN 0.728 nan 8.370 nan 0.000 0.500 12 G N -0.567 108.177 108.800 -0.094 0.000 2.316 12 G HA2 -0.043 3.918 3.960 0.002 0.000 0.203 12 G HA3 -0.043 3.918 3.960 0.002 0.000 0.203 12 G C 1.139 176.001 174.900 -0.064 0.000 0.999 12 G CA 0.098 45.145 45.100 -0.088 0.000 0.649 12 G HN 1.264 nan 8.290 nan 0.000 0.489 13 G N -0.427 108.334 108.800 -0.065 0.000 2.137 13 G HA2 -0.184 3.777 3.960 0.002 0.000 0.237 13 G HA3 -0.184 3.777 3.960 0.002 0.000 0.237 13 G C 0.195 175.028 174.900 -0.112 0.000 1.002 13 G CA 0.863 45.927 45.100 -0.061 0.000 0.702 13 G HN 0.977 nan 8.290 nan 0.000 0.515 14 Q N 0.253 119.957 119.800 -0.160 0.000 2.364 14 Q HA 0.274 4.615 4.340 0.002 0.000 0.267 14 Q C -1.820 174.017 176.000 -0.271 0.000 0.999 14 Q CA -1.065 54.636 55.803 -0.170 0.000 0.886 14 Q CB 0.279 28.930 28.738 -0.145 0.000 1.243 14 Q HN 0.258 nan 8.270 nan 0.000 0.415 15 P HA -0.070 nan 4.420 nan 0.000 0.263 15 P C -0.121 177.074 177.300 -0.176 0.000 1.175 15 P CA 0.503 63.534 63.100 -0.115 0.000 0.761 15 P CB 0.410 32.086 31.700 -0.040 0.000 0.794 16 H N 0.476 119.546 119.070 0.000 0.000 2.525 16 H HA 0.195 4.751 4.556 0.000 0.000 0.275 16 H C 0.287 175.615 175.328 0.001 0.000 0.984 16 H CA 0.937 56.986 56.048 0.001 0.000 1.264 16 H CB 0.334 30.098 29.762 0.002 0.000 1.432 16 H HN 0.312 nan 8.280 nan 0.000 0.549 17 K N -0.027 120.438 120.400 0.108 0.000 2.532 17 K HA 0.519 4.840 4.320 0.002 0.000 0.265 17 K C -0.922 175.701 176.600 0.038 0.000 0.948 17 K CA -0.817 55.509 56.287 0.066 0.000 0.842 17 K CB 2.995 35.535 32.500 0.066 0.000 1.392 17 K HN -0.066 nan 8.250 nan 0.000 0.436 18 R N 1.231 121.746 120.500 0.026 0.000 2.628 18 R HA 0.386 4.727 4.340 0.002 0.000 0.288 18 R C -0.957 175.353 176.300 0.017 0.000 0.980 18 R CA -0.965 55.146 56.100 0.018 0.000 0.891 18 R CB 2.535 32.842 30.300 0.011 0.000 1.188 18 R HN 0.443 nan 8.270 nan 0.000 0.450 19 R N 2.000 122.509 120.500 0.015 0.000 2.407 19 R HA 0.215 4.556 4.340 0.002 0.000 0.303 19 R C -0.718 175.590 176.300 0.012 0.000 0.981 19 R CA -0.557 55.551 56.100 0.013 0.000 0.905 19 R CB 1.163 31.470 30.300 0.013 0.000 1.099 19 R HN 0.415 nan 8.270 nan 0.000 0.459 20 K N 2.622 123.030 120.400 0.012 0.000 2.248 20 K HA 0.116 4.437 4.320 0.002 0.000 0.281 20 K C -0.336 176.272 176.600 0.012 0.000 1.054 20 K CA -0.098 56.197 56.287 0.013 0.000 0.903 20 K CB 1.436 33.944 32.500 0.013 0.000 1.077 20 K HN 0.573 nan 8.250 nan 0.000 0.474 21 T N 1.197 115.760 114.554 0.014 0.000 2.959 21 T HA 0.107 4.458 4.350 0.002 0.000 0.254 21 T C -0.506 174.203 174.700 0.015 0.000 1.003 21 T CA 0.218 62.326 62.100 0.013 0.000 0.950 21 T CB 0.239 69.115 68.868 0.013 0.000 1.090 21 T HN 0.781 nan 8.240 nan 0.000 0.503 22 S N 0.028 115.741 115.700 0.023 0.000 2.688 22 S HA 0.697 5.168 4.470 0.002 0.000 0.275 22 S C -2.050 172.573 174.600 0.038 0.000 1.175 22 S CA -0.984 57.234 58.200 0.030 0.000 0.818 22 S CB 2.518 65.748 63.200 0.050 0.000 1.157 22 S HN 0.123 nan 8.310 nan 0.000 0.482 23 D N -1.049 119.379 120.400 0.047 0.000 2.970 23 D HA 0.684 5.326 4.640 0.002 0.000 0.230 23 D C 0.582 176.928 176.300 0.077 0.000 1.276 23 D CA -0.115 53.915 54.000 0.050 0.000 0.910 23 D CB 1.781 42.596 40.800 0.025 0.000 1.590 23 D HN 0.689 nan 8.370 nan 0.000 0.551 24 A N 3.574 126.461 122.820 0.113 0.000 1.898 24 A HA -0.156 4.165 4.320 0.002 0.000 0.216 24 A C 1.804 179.448 177.584 0.100 0.000 1.181 24 A CA 1.202 53.353 52.037 0.190 0.000 0.620 24 A CB -0.438 18.678 19.000 0.194 0.000 0.819 24 A HN 0.639 nan 8.150 nan 0.000 0.442 25 N N -0.121 118.615 118.700 0.061 0.000 2.058 25 N HA -0.180 4.562 4.740 0.002 0.000 0.191 25 N C 1.782 177.296 175.510 0.007 0.000 1.037 25 N CA 1.622 54.692 53.050 0.033 0.000 0.848 25 N CB -0.530 37.973 38.487 0.028 0.000 1.021 25 N HN 0.771 nan 8.380 nan 0.000 0.422 26 E N 0.186 120.388 120.200 0.004 0.000 2.097 26 E HA -0.178 4.174 4.350 0.002 0.000 0.196 26 E C 1.216 177.801 176.600 -0.025 0.000 1.000 26 E CA 1.703 58.098 56.400 -0.007 0.000 0.804 26 E CB -0.083 29.609 29.700 -0.013 0.000 0.740 26 E HN 0.260 nan 8.360 nan 0.000 0.454 27 T N 0.823 115.333 114.554 -0.074 0.000 2.746 27 T HA -0.137 4.215 4.350 0.002 0.000 0.267 27 T C 1.594 176.170 174.700 -0.206 0.000 1.039 27 T CA 1.514 63.508 62.100 -0.176 0.000 1.142 27 T CB -0.211 68.428 68.868 -0.382 0.000 0.866 27 T HN 0.310 nan 8.240 nan 0.000 0.444 28 E N 0.916 121.005 120.200 -0.185 0.000 2.072 28 E HA -0.142 4.210 4.350 0.002 0.000 0.191 28 E C 2.037 178.607 176.600 -0.051 0.000 0.985 28 E CA 1.161 57.486 56.400 -0.124 0.000 0.801 28 E CB -0.140 29.542 29.700 -0.029 0.000 0.750 28 E HN 0.421 nan 8.360 nan 0.000 0.452 29 D N -0.224 120.166 120.400 -0.017 0.000 2.117 29 D HA -0.174 4.467 4.640 0.002 0.000 0.197 29 D C 1.808 178.121 176.300 0.021 0.000 0.987 29 D CA 1.227 55.230 54.000 0.005 0.000 0.829 29 D CB -0.361 40.450 40.800 0.017 0.000 0.961 29 D HN 0.237 nan 8.370 nan 0.000 0.460 30 H N 0.273 119.304 119.070 -0.066 0.000 2.357 30 H HA 0.034 4.597 4.556 0.011 0.000 0.301 30 H C 2.071 177.365 175.328 -0.057 0.000 1.082 30 H CA 1.163 57.177 56.048 -0.058 0.000 1.342 30 H CB -0.360 29.360 29.762 -0.069 0.000 1.389 30 H HN 0.047 nan 8.280 nan 0.000 0.511 31 L N 0.159 121.315 121.223 -0.111 0.000 2.012 31 L HA -0.183 4.158 4.340 0.002 0.000 0.210 31 L C 2.641 179.443 176.870 -0.114 0.000 1.073 31 L CA 1.980 56.734 54.840 -0.144 0.000 0.748 31 L CB -0.532 41.463 42.059 -0.106 0.000 0.891 31 L HN 0.482 nan 8.230 nan 0.000 0.431 32 E N -0.349 119.806 120.200 -0.074 0.000 2.077 32 E HA -0.261 4.090 4.350 0.002 0.000 0.193 32 E C 2.325 178.894 176.600 -0.051 0.000 0.989 32 E CA 1.492 57.863 56.400 -0.048 0.000 0.800 32 E CB -0.007 29.676 29.700 -0.028 0.000 0.746 32 E HN 0.306 nan 8.360 nan 0.000 0.452 33 S N -0.042 115.614 115.700 -0.074 0.000 2.356 33 S HA -0.132 4.340 4.470 0.002 0.000 0.223 33 S C 2.013 176.559 174.600 -0.090 0.000 1.032 33 S CA 1.151 59.309 58.200 -0.069 0.000 1.005 33 S CB -0.298 62.862 63.200 -0.067 0.000 0.867 33 S HN 0.354 nan 8.310 nan 0.000 0.449 34 L N 0.790 121.905 121.223 -0.181 0.000 2.046 34 L HA -0.085 4.256 4.340 0.002 0.000 0.208 34 L C 2.415 179.267 176.870 -0.030 0.000 1.077 34 L CA 1.318 56.071 54.840 -0.145 0.000 0.747 34 L CB -0.525 41.397 42.059 -0.229 0.000 0.896 34 L HN 0.377 nan 8.230 nan 0.000 0.432 35 I N -0.917 119.649 120.570 -0.006 0.000 2.252 35 I HA -0.316 3.856 4.170 0.002 0.000 0.245 35 I C 2.537 178.774 176.117 0.201 0.000 1.102 35 I CA 1.077 62.434 61.300 0.096 0.000 1.385 35 I CB -0.357 37.663 38.000 0.035 0.000 1.064 35 I HN 0.374 nan 8.210 nan 0.000 0.414 36 C N 0.543 119.909 119.300 0.110 0.000 2.432 36 C HA -0.103 4.358 4.460 0.002 0.000 0.282 36 C C 2.480 177.561 174.990 0.152 0.000 1.388 36 C CA 0.801 59.909 59.018 0.150 0.000 1.777 36 C CB -1.027 26.756 27.740 0.071 0.000 1.882 36 C HN 0.402 nan 8.230 nan 0.000 0.520 37 K N -0.149 120.304 120.400 0.089 0.000 2.353 37 K HA 0.149 4.470 4.320 0.002 0.000 0.195 37 K C 0.554 177.173 176.600 0.031 0.000 1.031 37 K CA -0.020 56.298 56.287 0.052 0.000 1.079 37 K CB 0.388 32.899 32.500 0.019 0.000 0.857 37 K HN 0.239 nan 8.250 nan 0.000 0.535 38 V N 0.666 120.601 119.914 0.035 0.000 2.740 38 V HA 0.180 4.301 4.120 0.002 0.000 0.303 38 V C 1.034 177.091 176.094 -0.063 0.000 1.054 38 V CA 1.680 63.971 62.300 -0.015 0.000 1.106 38 V CB 0.663 32.477 31.823 -0.015 0.000 0.957 38 V HN 0.729 nan 8.190 nan 0.000 0.486 39 G N 4.072 112.837 108.800 -0.059 0.000 2.234 39 G HA2 -0.202 3.760 3.960 0.002 0.000 0.235 39 G HA3 -0.202 3.760 3.960 0.002 0.000 0.235 39 G C 0.203 175.083 174.900 -0.033 0.000 0.997 39 G CA 0.320 45.380 45.100 -0.067 0.000 0.623 39 G HN 0.753 nan 8.290 nan 0.000 0.514 40 E N 0.788 120.980 120.200 -0.014 0.000 2.397 40 E HA 0.445 4.796 4.350 0.002 0.000 0.254 40 E C 0.683 177.277 176.600 -0.009 0.000 1.231 40 E CA -0.138 56.259 56.400 -0.004 0.000 0.954 40 E CB 0.377 30.081 29.700 0.008 0.000 1.024 40 E HN 0.415 nan 8.360 nan 0.000 0.481 41 K N 0.520 120.915 120.400 -0.007 0.000 2.489 41 K HA 0.071 4.392 4.320 0.002 0.000 0.278 41 K C -0.751 175.845 176.600 -0.006 0.000 1.000 41 K CA 0.162 56.444 56.287 -0.009 0.000 1.012 41 K CB 0.903 33.398 32.500 -0.008 0.000 0.903 41 K HN 0.273 nan 8.250 nan 0.000 0.485 42 S N 2.120 117.815 115.700 -0.007 0.000 2.556 42 S HA 0.611 5.082 4.470 0.002 0.000 0.271 42 S C 0.301 174.899 174.600 -0.005 0.000 1.135 42 S CA -0.327 57.870 58.200 -0.004 0.000 0.858 42 S CB 1.263 64.461 63.200 -0.004 0.000 1.114 42 S HN 0.771 nan 8.310 nan 0.000 0.468 43 A N 1.473 124.292 122.820 -0.002 0.000 2.121 43 A HA 0.183 4.504 4.320 0.002 0.000 0.218 43 A C 0.825 178.407 177.584 -0.004 0.000 1.154 43 A CA 0.743 52.778 52.037 -0.003 0.000 0.679 43 A CB -0.915 18.084 19.000 -0.001 0.000 0.795 43 A HN 0.764 nan 8.150 nan 0.000 0.458 44 C N 0.207 119.506 119.300 -0.002 0.000 2.365 44 C HA 0.597 5.058 4.460 0.002 0.000 0.349 44 C C 1.177 176.165 174.990 -0.004 0.000 1.191 44 C CA -0.560 58.457 59.018 -0.001 0.000 2.114 44 C CB 1.148 28.891 27.740 0.005 0.000 2.367 44 C HN 0.620 nan 8.230 nan 0.000 0.530 45 S N 1.627 117.324 115.700 -0.005 0.000 2.573 45 S HA 0.125 4.597 4.470 0.002 0.000 0.277 45 S C 0.934 175.536 174.600 0.004 0.000 1.346 45 S CA -0.415 57.780 58.200 -0.009 0.000 1.034 45 S CB 0.267 63.456 63.200 -0.017 0.000 0.879 45 S HN 0.693 nan 8.310 nan 0.000 0.528 46 L N 1.822 123.044 121.223 -0.002 0.000 2.021 46 L HA -0.177 4.164 4.340 0.002 0.000 0.215 46 L C 2.620 179.528 176.870 0.063 0.000 1.074 46 L CA 2.258 57.103 54.840 0.009 0.000 0.760 46 L CB -1.262 40.790 42.059 -0.011 0.000 0.889 46 L HN 0.890 nan 8.230 nan 0.000 0.433 47 E N -0.852 119.398 120.200 0.084 0.000 2.085 47 E HA -0.248 4.103 4.350 0.002 0.000 0.194 47 E C 2.258 179.000 176.600 0.237 0.000 0.994 47 E CA 1.462 57.990 56.400 0.214 0.000 0.801 47 E CB -1.066 28.633 29.700 -0.002 0.000 0.743 47 E HN 0.631 nan 8.360 nan 0.000 0.453 48 S N 1.498 117.259 115.700 0.101 0.000 2.359 48 S HA -0.195 4.276 4.470 0.002 0.000 0.224 48 S C 1.779 176.425 174.600 0.077 0.000 1.035 48 S CA 1.641 59.889 58.200 0.081 0.000 1.018 48 S CB -0.437 62.784 63.200 0.034 0.000 0.876 48 S HN 0.374 nan 8.310 nan 0.000 0.448 49 N N 0.424 119.156 118.700 0.053 0.000 2.244 49 N HA 0.045 4.786 4.740 0.002 0.000 0.183 49 N C 1.758 177.282 175.510 0.023 0.000 1.016 49 N CA 1.216 54.284 53.050 0.029 0.000 0.866 49 N CB -0.208 38.286 38.487 0.011 0.000 0.980 49 N HN 0.366 nan 8.380 nan 0.000 0.430 50 L N 0.681 121.929 121.223 0.042 0.000 2.072 50 L HA -0.118 4.223 4.340 0.002 0.000 0.205 50 L C 2.477 179.315 176.870 -0.053 0.000 1.079 50 L CA 1.045 55.873 54.840 -0.020 0.000 0.752 50 L CB -0.262 41.766 42.059 -0.051 0.000 0.906 50 L HN 0.229 nan 8.230 nan 0.000 0.436 51 E N 0.155 120.374 120.200 0.032 0.000 2.051 51 E HA -0.189 4.163 4.350 0.002 0.000 0.192 51 E C 2.174 178.779 176.600 0.009 0.000 0.991 51 E CA 1.237 57.655 56.400 0.030 0.000 0.799 51 E CB -0.209 29.596 29.700 0.175 0.000 0.748 51 E HN 0.423 nan 8.360 nan 0.000 0.449 52 G N 1.418 110.233 108.800 0.025 0.000 2.491 52 G HA2 -0.300 3.661 3.960 0.002 0.000 0.218 52 G HA3 -0.300 3.661 3.960 0.002 0.000 0.218 52 G C 1.501 176.396 174.900 -0.008 0.000 1.180 52 G CA 1.051 46.158 45.100 0.012 0.000 0.774 52 G HN 0.319 nan 8.290 nan 0.000 0.562 53 L N 1.477 122.690 121.223 -0.017 0.000 2.046 53 L HA 0.156 4.497 4.340 0.002 0.000 0.208 53 L C 3.079 179.919 176.870 -0.051 0.000 1.077 53 L CA 2.132 56.955 54.840 -0.029 0.000 0.747 53 L CB -0.876 41.169 42.059 -0.023 0.000 0.896 53 L HN 0.256 nan 8.230 nan 0.000 0.432 54 A N -0.591 122.186 122.820 -0.072 0.000 1.978 54 A HA -0.125 4.196 4.320 0.002 0.000 0.220 54 A C 2.314 179.844 177.584 -0.090 0.000 1.170 54 A CA 1.681 53.655 52.037 -0.105 0.000 0.636 54 A CB -1.505 17.416 19.000 -0.131 0.000 0.810 54 A HN 0.550 nan 8.150 nan 0.000 0.448 55 G N -0.941 107.828 108.800 -0.053 0.000 2.394 55 G HA2 -0.015 3.946 3.960 0.002 0.000 0.215 55 G HA3 -0.015 3.946 3.960 0.002 0.000 0.215 55 G C 1.480 176.363 174.900 -0.029 0.000 1.165 55 G CA 1.067 46.146 45.100 -0.035 0.000 0.784 55 G HN 0.307 nan 8.290 nan 0.000 0.535 56 V N 0.955 120.856 119.914 -0.021 0.000 2.358 56 V HA -0.080 4.041 4.120 0.002 0.000 0.246 56 V C 2.898 178.981 176.094 -0.018 0.000 1.047 56 V CA 1.267 63.564 62.300 -0.006 0.000 1.035 56 V CB -0.386 31.440 31.823 0.006 0.000 0.658 56 V HN 0.316 nan 8.190 nan 0.000 0.452 57 L N -0.102 121.091 121.223 -0.051 0.000 1.994 57 L HA -0.216 4.125 4.340 0.002 0.000 0.208 57 L C 2.620 179.429 176.870 -0.102 0.000 1.071 57 L CA 2.195 56.988 54.840 -0.077 0.000 0.745 57 L CB -0.716 41.267 42.059 -0.126 0.000 0.892 57 L HN 0.416 nan 8.230 nan 0.000 0.431 58 E N 0.661 120.780 120.200 -0.136 0.000 2.086 58 E HA -0.296 4.055 4.350 0.002 0.000 0.200 58 E C 2.045 178.615 176.600 -0.050 0.000 1.012 58 E CA 1.619 57.942 56.400 -0.128 0.000 0.812 58 E CB -0.070 29.567 29.700 -0.106 0.000 0.743 58 E HN 0.462 nan 8.360 nan 0.000 0.453 59 A N 0.253 123.061 122.820 -0.020 0.000 2.168 59 A HA -0.104 4.217 4.320 0.002 0.000 0.215 59 A C 1.442 179.053 177.584 0.045 0.000 1.152 59 A CA 1.229 53.273 52.037 0.012 0.000 0.716 59 A CB 0.017 19.027 19.000 0.016 0.000 0.794 59 A HN 0.275 nan 8.150 nan 0.000 0.465 60 D N -0.529 119.906 120.400 0.059 0.000 2.349 60 D HA 0.135 4.776 4.640 0.002 0.000 0.214 60 D C 1.638 178.033 176.300 0.159 0.000 1.063 60 D CA 0.018 54.107 54.000 0.148 0.000 0.847 60 D CB 0.215 41.112 40.800 0.163 0.000 0.933 60 D HN 0.406 nan 8.370 nan 0.000 0.513 61 L N 1.519 122.787 121.223 0.075 0.000 2.079 61 L HA -0.124 4.218 4.340 0.002 0.000 0.210 61 L C -0.431 176.479 176.870 0.068 0.000 1.081 61 L CA 1.291 56.179 54.840 0.080 0.000 0.752 61 L CB -1.649 40.436 42.059 0.042 0.000 0.896 61 L HN 0.026 nan 8.230 nan 0.000 0.433 62 P HA -0.143 nan 4.420 nan 0.000 0.219 62 P C 0.721 177.988 177.300 -0.055 0.000 1.146 62 P CA 1.476 64.579 63.100 0.005 0.000 0.808 62 P CB 0.004 31.706 31.700 0.003 0.000 0.779 63 N N -2.919 115.710 118.700 -0.119 0.000 2.210 63 N HA 0.062 4.803 4.740 0.002 0.000 0.203 63 N C 0.253 175.379 175.510 -0.640 0.000 1.175 63 N CA 0.297 53.102 53.050 -0.407 0.000 0.894 63 N CB 0.410 38.546 38.487 -0.586 0.000 1.041 63 N HN 0.186 nan 8.380 nan 0.000 0.506 64 Y N -0.003 120.324 120.300 0.044 0.000 2.767 64 Y HA 0.335 4.882 4.550 -0.005 0.000 0.254 64 Y C 1.640 177.584 175.900 0.074 0.000 1.133 64 Y CA -0.715 57.415 58.100 0.050 0.000 1.225 64 Y CB 0.513 38.999 38.460 0.044 0.000 1.312 64 Y HN -0.197 nan 8.280 nan 0.000 0.560 65 K N 0.354 120.858 120.400 0.173 0.000 2.063 65 K HA -0.205 4.116 4.320 0.002 0.000 0.208 65 K C 2.296 179.009 176.600 0.189 0.000 1.048 65 K CA 1.713 58.129 56.287 0.215 0.000 0.928 65 K CB -0.047 32.567 32.500 0.190 0.000 0.713 65 K HN 0.295 nan 8.250 nan 0.000 0.442 66 S N 0.749 116.520 115.700 0.119 0.000 2.356 66 S HA -0.176 4.295 4.470 0.002 0.000 0.223 66 S C 1.907 176.565 174.600 0.096 0.000 1.032 66 S CA 1.853 60.102 58.200 0.081 0.000 1.005 66 S CB -0.222 63.007 63.200 0.047 0.000 0.867 66 S HN 0.281 nan 8.310 nan 0.000 0.449 67 K N 1.503 121.982 120.400 0.131 0.000 2.032 67 K HA 0.026 4.348 4.320 0.002 0.000 0.209 67 K C 1.888 178.561 176.600 0.122 0.000 1.048 67 K CA 1.922 58.285 56.287 0.127 0.000 0.927 67 K CB -0.878 31.730 32.500 0.180 0.000 0.712 67 K HN 0.544 nan 8.250 nan 0.000 0.441 68 I N 0.212 120.883 120.570 0.168 0.000 2.226 68 I HA -0.260 3.912 4.170 0.002 0.000 0.245 68 I C 1.997 178.240 176.117 0.209 0.000 1.100 68 I CA 0.618 62.024 61.300 0.176 0.000 1.374 68 I CB -0.315 37.811 38.000 0.209 0.000 1.057 68 I HN 0.137 nan 8.210 nan 0.000 0.413 69 L N 0.782 122.141 121.223 0.226 0.000 2.012 69 L HA -0.224 4.118 4.340 0.002 0.000 0.210 69 L C 2.624 179.564 176.870 0.116 0.000 1.073 69 L CA 1.764 56.704 54.840 0.166 0.000 0.748 69 L CB -1.034 41.051 42.059 0.044 0.000 0.891 69 L HN 0.154 nan 8.230 nan 0.000 0.431 70 R N -0.834 119.705 120.500 0.065 0.000 2.082 70 R HA -0.187 4.154 4.340 0.002 0.000 0.234 70 R C 2.357 178.666 176.300 0.016 0.000 1.136 70 R CA 1.767 57.881 56.100 0.023 0.000 0.935 70 R CB -0.415 29.898 30.300 0.023 0.000 0.842 70 R HN 0.308 nan 8.270 nan 0.000 0.430 71 L N 0.567 121.805 121.223 0.025 0.000 2.081 71 L HA -0.246 4.096 4.340 0.002 0.000 0.212 71 L C 2.408 179.248 176.870 -0.049 0.000 1.080 71 L CA 1.303 56.135 54.840 -0.013 0.000 0.754 71 L CB -0.374 41.681 42.059 -0.006 0.000 0.893 71 L HN 0.320 nan 8.230 nan 0.000 0.433 72 L N -1.756 119.477 121.223 0.017 0.000 2.179 72 L HA -0.164 4.178 4.340 0.002 0.000 0.208 72 L C 2.658 179.557 176.870 0.048 0.000 1.096 72 L CA 0.557 55.391 54.840 -0.009 0.000 0.779 72 L CB -0.441 41.615 42.059 -0.004 0.000 0.922 72 L HN 0.360 nan 8.230 nan 0.000 0.443 73 C N -0.515 118.849 119.300 0.108 0.000 2.432 73 C HA -0.155 4.306 4.460 0.002 0.000 0.277 73 C C 2.949 177.858 174.990 -0.135 0.000 1.249 73 C CA 1.406 60.370 59.018 -0.089 0.000 1.725 73 C CB -0.779 26.864 27.740 -0.160 0.000 2.028 73 C HN 0.508 nan 8.230 nan 0.000 0.477 74 T N 0.518 115.016 114.554 -0.094 0.000 2.684 74 T HA -0.175 4.176 4.350 0.002 0.000 0.267 74 T C 1.811 176.445 174.700 -0.109 0.000 1.036 74 T CA 1.652 63.701 62.100 -0.084 0.000 1.148 74 T CB -0.419 68.411 68.868 -0.063 0.000 0.863 74 T HN 0.340 nan 8.240 nan 0.000 0.436 75 V N 1.390 121.190 119.914 -0.190 0.000 2.407 75 V HA -0.185 3.937 4.120 0.002 0.000 0.248 75 V C 2.767 178.765 176.094 -0.160 0.000 1.055 75 V CA 1.645 63.769 62.300 -0.293 0.000 1.049 75 V CB -1.070 30.303 31.823 -0.750 0.000 0.662 75 V HN 0.551 nan 8.190 nan 0.000 0.455 76 A N 1.186 123.883 122.820 -0.205 0.000 1.883 76 A HA -0.254 4.067 4.320 0.002 0.000 0.217 76 A C 2.294 179.876 177.584 -0.005 0.000 1.186 76 A CA 2.174 54.061 52.037 -0.250 0.000 0.624 76 A CB -0.451 18.056 19.000 -0.822 0.000 0.822 76 A HN 0.724 nan 8.150 nan 0.000 0.444 77 R N -0.954 119.539 120.500 -0.012 0.000 2.223 77 R HA 0.311 4.652 4.340 0.002 0.000 0.198 77 R C 1.304 177.695 176.300 0.152 0.000 0.984 77 R CA 0.873 57.048 56.100 0.125 0.000 1.018 77 R CB -0.299 30.049 30.300 0.080 0.000 0.945 77 R HN 0.423 nan 8.270 nan 0.000 0.479 78 L N 0.555 121.810 121.223 0.053 0.000 2.590 78 L HA 0.299 4.640 4.340 0.002 0.000 0.227 78 L C 0.662 177.535 176.870 0.005 0.000 1.099 78 L CA 0.134 54.998 54.840 0.040 0.000 0.872 78 L CB 0.446 42.516 42.059 0.017 0.000 1.088 78 L HN 0.138 nan 8.230 nan 0.000 0.479 79 L N 0.964 122.197 121.223 0.017 0.000 2.913 79 L HA 0.227 4.569 4.340 0.002 0.000 0.283 79 L C -1.536 175.378 176.870 0.073 0.000 1.336 79 L CA -0.838 54.042 54.840 0.068 0.000 0.815 79 L CB 0.779 42.953 42.059 0.191 0.000 1.188 79 L HN -0.136 nan 8.230 nan 0.000 0.551 80 P HA -0.205 nan 4.420 nan 0.000 0.220 80 P C 1.161 178.459 177.300 -0.003 0.000 1.148 80 P CA 1.222 64.236 63.100 -0.143 0.000 0.803 80 P CB 0.216 31.516 31.700 -0.667 0.000 0.782 81 E N 1.413 121.629 120.200 0.027 0.000 2.333 81 E HA -0.172 4.180 4.350 0.002 0.000 0.198 81 E C 1.019 177.718 176.600 0.166 0.000 1.007 81 E CA 1.083 57.564 56.400 0.135 0.000 0.845 81 E CB -0.574 29.217 29.700 0.153 0.000 0.766 81 E HN 0.316 nan 8.360 nan 0.000 0.507 82 K N 0.458 120.955 120.400 0.161 0.000 2.399 82 K HA 0.137 4.459 4.320 0.002 0.000 0.204 82 K C 1.514 178.183 176.600 0.115 0.000 1.023 82 K CA -0.235 56.123 56.287 0.117 0.000 1.127 82 K CB 0.194 32.757 32.500 0.106 0.000 0.856 82 K HN -0.035 nan 8.250 nan 0.000 0.514 83 L N 1.827 123.134 121.223 0.141 0.000 1.991 83 L HA -0.304 4.037 4.340 0.002 0.000 0.221 83 L C 2.136 178.996 176.870 -0.017 0.000 1.079 83 L CA 2.565 57.449 54.840 0.073 0.000 0.778 83 L CB -1.103 40.909 42.059 -0.078 0.000 0.893 83 L HN 0.336 nan 8.230 nan 0.000 0.437 84 T N -3.361 111.222 114.554 0.049 0.000 3.072 84 T HA -0.021 4.330 4.350 0.002 0.000 0.266 84 T C 1.951 176.671 174.700 0.033 0.000 1.127 84 T CA 1.209 63.368 62.100 0.098 0.000 1.107 84 T CB -0.685 68.282 68.868 0.166 0.000 0.910 84 T HN 0.451 nan 8.240 nan 0.000 0.513 85 I N -0.675 119.853 120.570 -0.069 0.000 2.277 85 I HA -0.005 4.166 4.170 0.002 0.000 0.243 85 I C 2.021 178.031 176.117 -0.178 0.000 1.094 85 I CA 1.083 62.272 61.300 -0.185 0.000 1.393 85 I CB -0.182 37.593 38.000 -0.376 0.000 1.078 85 I HN 0.153 nan 8.210 nan 0.000 0.417 86 Y N 0.750 121.080 120.300 0.050 0.000 2.395 86 Y HA -0.149 4.402 4.550 0.001 0.000 0.293 86 Y C 2.953 178.870 175.900 0.028 0.000 1.123 86 Y CA 1.373 59.533 58.100 0.100 0.000 1.227 86 Y CB -1.107 37.526 38.460 0.288 0.000 1.012 86 Y HN 0.262 nan 8.280 nan 0.000 0.552 87 T N -4.260 110.248 114.554 -0.075 0.000 2.904 87 T HA -0.129 4.222 4.350 0.002 0.000 0.267 87 T C 1.872 176.560 174.700 -0.020 0.000 1.059 87 T CA 1.658 63.628 62.100 -0.217 0.000 1.137 87 T CB -0.807 67.816 68.868 -0.408 0.000 0.879 87 T HN 0.200 nan 8.240 nan 0.000 0.467 88 T N 2.360 116.952 114.554 0.065 0.000 2.708 88 T HA 0.016 4.367 4.350 0.002 0.000 0.266 88 T C 1.774 176.443 174.700 -0.052 0.000 1.037 88 T CA 1.320 63.462 62.100 0.071 0.000 1.146 88 T CB -0.571 68.353 68.868 0.093 0.000 0.865 88 T HN 0.251 nan 8.240 nan 0.000 0.435 89 L N 1.381 122.586 121.223 -0.030 0.000 2.012 89 L HA -0.052 4.290 4.340 0.002 0.000 0.210 89 L C 2.423 179.265 176.870 -0.047 0.000 1.073 89 L CA 1.565 56.376 54.840 -0.048 0.000 0.748 89 L CB -0.777 41.313 42.059 0.053 0.000 0.891 89 L HN 0.077 nan 8.230 nan 0.000 0.431 90 V N 0.124 120.033 119.914 -0.008 0.000 2.407 90 V HA -0.202 3.919 4.120 0.002 0.000 0.248 90 V C 2.626 178.727 176.094 0.012 0.000 1.055 90 V CA 1.678 63.956 62.300 -0.037 0.000 1.049 90 V CB -1.559 30.182 31.823 -0.137 0.000 0.662 90 V HN 0.655 nan 8.190 nan 0.000 0.455 91 G N -0.171 108.632 108.800 0.004 0.000 2.442 91 G HA2 -0.226 3.736 3.960 0.002 0.000 0.219 91 G HA3 -0.226 3.736 3.960 0.002 0.000 0.219 91 G C 1.463 176.357 174.900 -0.010 0.000 1.141 91 G CA 0.857 45.969 45.100 0.020 0.000 0.763 91 G HN 0.375 nan 8.290 nan 0.000 0.554 92 L N -0.001 121.164 121.223 -0.096 0.000 2.056 92 L HA 0.081 4.422 4.340 0.002 0.000 0.207 92 L C 2.787 179.607 176.870 -0.084 0.000 1.078 92 L CA 0.791 55.547 54.840 -0.140 0.000 0.749 92 L CB -1.018 40.890 42.059 -0.252 0.000 0.901 92 L HN 0.080 nan 8.230 nan 0.000 0.433 93 L N -0.445 120.721 121.223 -0.094 0.000 2.046 93 L HA -0.213 4.128 4.340 0.002 0.000 0.208 93 L C 2.351 179.233 176.870 0.020 0.000 1.077 93 L CA 1.593 56.351 54.840 -0.138 0.000 0.747 93 L CB -1.519 40.355 42.059 -0.309 0.000 0.896 93 L HN 0.401 nan 8.230 nan 0.000 0.432 94 N N -0.191 118.580 118.700 0.118 0.000 2.120 94 N HA -0.164 4.577 4.740 0.002 0.000 0.188 94 N C 1.773 177.390 175.510 0.178 0.000 1.024 94 N CA 1.555 54.727 53.050 0.204 0.000 0.852 94 N CB -0.050 38.570 38.487 0.221 0.000 1.003 94 N HN 0.310 nan 8.380 nan 0.000 0.424 95 A N 0.233 123.117 122.820 0.106 0.000 1.933 95 A HA -0.070 4.251 4.320 0.002 0.000 0.218 95 A C 2.224 179.851 177.584 0.071 0.000 1.175 95 A CA 1.327 53.414 52.037 0.083 0.000 0.628 95 A CB -0.399 18.624 19.000 0.039 0.000 0.814 95 A HN 0.367 nan 8.150 nan 0.000 0.444 96 R N -1.186 119.341 120.500 0.044 0.000 2.127 96 R HA 0.087 4.428 4.340 0.002 0.000 0.217 96 R C 0.215 176.554 176.300 0.065 0.000 1.074 96 R CA 0.891 57.009 56.100 0.031 0.000 0.991 96 R CB 0.119 30.409 30.300 -0.016 0.000 0.895 96 R HN 0.394 nan 8.270 nan 0.000 0.450 97 N N -0.560 118.202 118.700 0.103 0.000 2.533 97 N HA -0.014 4.727 4.740 0.002 0.000 0.289 97 N C -0.802 174.876 175.510 0.281 0.000 1.103 97 N CA -0.285 52.866 53.050 0.167 0.000 0.877 97 N CB 1.017 39.578 38.487 0.122 0.000 1.419 97 N HN -0.042 nan 8.380 nan 0.000 0.517 98 Y N 4.220 124.621 120.300 0.167 0.000 2.263 98 Y HA 0.023 4.574 4.550 0.002 0.000 0.292 98 Y C 1.493 177.573 175.900 0.302 0.000 1.130 98 Y CA 1.647 59.880 58.100 0.221 0.000 1.179 98 Y CB 0.215 38.742 38.460 0.110 0.000 0.998 98 Y HN 0.516 nan 8.280 nan 0.000 0.532 99 N N -0.068 118.790 118.700 0.263 0.000 2.142 99 N HA -0.210 4.532 4.740 0.002 0.000 0.186 99 N C 1.742 177.308 175.510 0.093 0.000 1.023 99 N CA 1.515 54.658 53.050 0.156 0.000 0.852 99 N CB -0.995 37.594 38.487 0.170 0.000 0.998 99 N HN 0.450 nan 8.380 nan 0.000 0.424 100 F N 1.402 121.372 119.950 0.035 0.000 2.065 100 F HA -0.155 4.374 4.527 0.003 0.000 0.298 100 F C 2.216 178.008 175.800 -0.013 0.000 1.112 100 F CA 1.992 60.004 58.000 0.021 0.000 1.212 100 F CB -0.786 38.232 39.000 0.030 0.000 0.975 100 F HN 0.048 nan 8.300 nan 0.000 0.476 101 G N -0.374 108.509 108.800 0.138 0.000 2.514 101 G HA2 -0.285 3.676 3.960 0.002 0.000 0.217 101 G HA3 -0.285 3.676 3.960 0.002 0.000 0.217 101 G C 1.938 176.504 174.900 -0.556 0.000 1.198 101 G CA 0.890 45.947 45.100 -0.072 0.000 0.780 101 G HN 0.667 nan 8.290 nan 0.000 0.565 102 G N 0.372 108.624 108.800 -0.913 0.000 2.505 102 G HA2 -0.267 3.694 3.960 0.002 0.000 0.220 102 G HA3 -0.267 3.694 3.960 0.002 0.000 0.220 102 G C 1.610 176.259 174.900 -0.418 0.000 1.145 102 G CA 1.384 45.945 45.100 -0.898 0.000 0.761 102 G HN 0.560 nan 8.290 nan 0.000 0.571 103 E N -0.776 119.241 120.200 -0.304 0.000 2.150 103 E HA -0.086 4.265 4.350 0.002 0.000 0.193 103 E C 2.003 178.418 176.600 -0.309 0.000 0.985 103 E CA 0.562 56.807 56.400 -0.258 0.000 0.814 103 E CB -0.237 29.330 29.700 -0.220 0.000 0.752 103 E HN 0.429 nan 8.360 nan 0.000 0.466 104 F N 0.269 119.896 119.950 -0.538 0.000 2.146 104 F HA -0.140 4.388 4.527 0.002 0.000 0.298 104 F C 1.888 177.507 175.800 -0.301 0.000 1.096 104 F CA 1.039 58.758 58.000 -0.468 0.000 1.275 104 F CB -0.324 38.383 39.000 -0.489 0.000 1.008 104 F HN -0.122 nan 8.300 nan 0.000 0.480 105 V N 0.867 120.594 119.914 -0.312 0.000 2.407 105 V HA -0.317 3.804 4.120 0.002 0.000 0.248 105 V C 2.434 178.340 176.094 -0.314 0.000 1.055 105 V CA 2.257 64.370 62.300 -0.312 0.000 1.049 105 V CB -0.845 30.836 31.823 -0.236 0.000 0.662 105 V HN 0.503 nan 8.190 nan 0.000 0.455 106 E N 0.580 120.616 120.200 -0.273 0.000 2.077 106 E HA -0.223 4.128 4.350 0.002 0.000 0.193 106 E C 2.190 178.651 176.600 -0.232 0.000 0.989 106 E CA 1.411 57.692 56.400 -0.199 0.000 0.800 106 E CB -0.234 29.372 29.700 -0.155 0.000 0.746 106 E HN 0.554 nan 8.360 nan 0.000 0.452 107 A N 0.944 123.570 122.820 -0.323 0.000 1.969 107 A HA -0.138 4.184 4.320 0.002 0.000 0.218 107 A C 2.190 179.546 177.584 -0.382 0.000 1.169 107 A CA 1.324 53.166 52.037 -0.325 0.000 0.635 107 A CB -0.330 18.460 19.000 -0.349 0.000 0.810 107 A HN 0.293 nan 8.150 nan 0.000 0.445 108 M N -0.487 118.787 119.600 -0.544 0.000 2.099 108 M HA -0.033 4.448 4.480 0.002 0.000 0.262 108 M C 2.070 178.225 176.300 -0.243 0.000 1.067 108 M CA 1.191 56.202 55.300 -0.483 0.000 1.124 108 M CB -0.911 31.325 32.600 -0.607 0.000 1.353 108 M HN 0.304 nan 8.290 nan 0.000 0.410 109 I N -0.449 120.013 120.570 -0.180 0.000 2.286 109 I HA -0.260 3.912 4.170 0.002 0.000 0.248 109 I C 2.492 178.608 176.117 -0.001 0.000 1.115 109 I CA 1.148 62.419 61.300 -0.049 0.000 1.392 109 I CB -1.008 36.992 38.000 0.001 0.000 1.065 109 I HN 0.274 nan 8.210 nan 0.000 0.418 110 R N 1.210 121.673 120.500 -0.061 0.000 2.082 110 R HA -0.261 4.081 4.340 0.002 0.000 0.234 110 R C 2.372 178.641 176.300 -0.053 0.000 1.136 110 R CA 2.096 58.165 56.100 -0.052 0.000 0.935 110 R CB -0.612 29.634 30.300 -0.089 0.000 0.842 110 R HN 0.233 nan 8.270 nan 0.000 0.430 111 Q N 0.099 119.842 119.800 -0.096 0.000 2.096 111 Q HA -0.152 4.189 4.340 0.002 0.000 0.204 111 Q C 1.896 177.859 176.000 -0.062 0.000 0.982 111 Q CA 1.873 57.620 55.803 -0.094 0.000 0.850 111 Q CB -0.601 28.055 28.738 -0.138 0.000 0.901 111 Q HN 0.390 nan 8.270 nan 0.000 0.422 112 L N 0.598 121.798 121.223 -0.039 0.000 2.013 112 L HA -0.204 4.138 4.340 0.002 0.000 0.212 112 L C 1.903 178.807 176.870 0.056 0.000 1.073 112 L CA 2.126 56.976 54.840 0.018 0.000 0.753 112 L CB -0.544 41.541 42.059 0.044 0.000 0.890 112 L HN 0.169 nan 8.230 nan 0.000 0.432 113 K N -0.750 119.709 120.400 0.099 0.000 2.097 113 K HA -0.166 4.155 4.320 0.002 0.000 0.205 113 K C 2.077 178.662 176.600 -0.025 0.000 1.050 113 K CA 1.573 57.914 56.287 0.089 0.000 0.938 113 K CB -0.136 32.416 32.500 0.088 0.000 0.718 113 K HN 0.478 nan 8.250 nan 0.000 0.442 114 E N 0.270 120.442 120.200 -0.048 0.000 2.051 114 E HA -0.149 4.203 4.350 0.002 0.000 0.192 114 E C 2.099 178.623 176.600 -0.127 0.000 0.991 114 E CA 1.233 57.584 56.400 -0.082 0.000 0.799 114 E CB 0.072 29.728 29.700 -0.073 0.000 0.748 114 E HN 0.153 nan 8.360 nan 0.000 0.449 115 S N 0.986 116.607 115.700 -0.132 0.000 2.370 115 S HA -0.166 4.305 4.470 0.002 0.000 0.226 115 S C 2.035 176.424 174.600 -0.351 0.000 1.033 115 S CA 0.904 58.988 58.200 -0.193 0.000 1.011 115 S CB -0.249 62.862 63.200 -0.149 0.000 0.852 115 S HN 0.198 nan 8.310 nan 0.000 0.457 116 L N 0.860 121.867 121.223 -0.360 0.000 2.046 116 L HA -0.133 4.209 4.340 0.002 0.000 0.208 116 L C 2.443 179.015 176.870 -0.497 0.000 1.077 116 L CA 1.298 55.778 54.840 -0.600 0.000 0.747 116 L CB -0.376 41.507 42.059 -0.293 0.000 0.896 116 L HN 0.242 nan 8.230 nan 0.000 0.432 117 K N -0.164 120.075 120.400 -0.269 0.000 2.155 117 K HA -0.024 4.297 4.320 0.002 0.000 0.203 117 K C 1.714 178.188 176.600 -0.211 0.000 1.052 117 K CA 1.052 57.220 56.287 -0.198 0.000 0.948 117 K CB -0.076 32.348 32.500 -0.126 0.000 0.728 117 K HN 0.236 nan 8.250 nan 0.000 0.448 118 A N 1.196 123.883 122.820 -0.222 0.000 2.327 118 A HA 0.037 4.359 4.320 0.002 0.000 0.228 118 A C -0.141 177.304 177.584 -0.230 0.000 1.275 118 A CA -0.068 51.856 52.037 -0.189 0.000 0.875 118 A CB -0.216 18.697 19.000 -0.144 0.000 0.925 118 A HN 0.361 nan 8.150 nan 0.000 0.493 119 N N -0.163 118.331 118.700 -0.343 0.000 2.741 119 N HA -0.130 4.612 4.740 0.002 0.000 0.251 119 N C -0.782 174.532 175.510 -0.327 0.000 1.112 119 N CA 0.933 53.776 53.050 -0.345 0.000 0.750 119 N CB -1.623 36.750 38.487 -0.190 0.000 1.119 119 N HN 0.561 nan 8.380 nan 0.000 0.561 120 N N 0.668 119.123 118.700 -0.408 0.000 3.331 120 N HA 0.130 4.872 4.740 0.002 0.000 0.303 120 N C 0.887 176.183 175.510 -0.357 0.000 1.326 120 N CA -0.108 52.776 53.050 -0.277 0.000 1.207 120 N CB -0.309 38.068 38.487 -0.184 0.000 1.477 120 N HN 0.356 nan 8.380 nan 0.000 0.541 121 Y N 0.715 120.807 120.300 -0.347 0.000 2.242 121 Y HA -0.115 4.436 4.550 0.003 0.000 0.291 121 Y C 1.780 177.635 175.900 -0.076 0.000 1.137 121 Y CA 1.151 58.933 58.100 -0.530 0.000 1.181 121 Y CB -0.133 37.742 38.460 -0.975 0.000 0.989 121 Y HN 0.374 nan 8.280 nan 0.000 0.527 122 N N -0.156 118.590 118.700 0.076 0.000 2.120 122 N HA -0.164 4.578 4.740 0.002 0.000 0.188 122 N C 1.617 176.945 175.510 -0.303 0.000 1.024 122 N CA 1.342 54.398 53.050 0.010 0.000 0.852 122 N CB -0.162 38.330 38.487 0.008 0.000 1.003 122 N HN 0.407 nan 8.380 nan 0.000 0.424 123 E N 0.484 120.582 120.200 -0.170 0.000 2.106 123 E HA -0.103 4.248 4.350 0.002 0.000 0.192 123 E C 2.080 178.631 176.600 -0.082 0.000 0.984 123 E CA 0.779 57.101 56.400 -0.130 0.000 0.806 123 E CB -0.062 29.654 29.700 0.026 0.000 0.750 123 E HN 0.401 nan 8.360 nan 0.000 0.458 124 A N 0.835 123.660 122.820 0.008 0.000 1.940 124 A HA -0.177 4.144 4.320 0.002 0.000 0.219 124 A C 2.441 180.202 177.584 0.295 0.000 1.176 124 A CA 1.242 53.371 52.037 0.154 0.000 0.631 124 A CB -0.686 18.382 19.000 0.114 0.000 0.814 124 A HN 0.138 nan 8.150 nan 0.000 0.446 125 V N -1.062 119.042 119.914 0.315 0.000 2.469 125 V HA -0.288 3.833 4.120 0.002 0.000 0.251 125 V C 2.379 178.550 176.094 0.130 0.000 1.064 125 V CA 1.962 64.371 62.300 0.182 0.000 1.066 125 V CB -1.123 30.794 31.823 0.156 0.000 0.667 125 V HN 0.678 nan 8.190 nan 0.000 0.461 126 Y N -0.257 120.166 120.300 0.205 0.000 2.263 126 Y HA -0.037 4.515 4.550 0.002 0.000 0.292 126 Y C 2.222 178.210 175.900 0.147 0.000 1.130 126 Y CA 0.498 58.684 58.100 0.144 0.000 1.179 126 Y CB -0.941 37.603 38.460 0.139 0.000 0.998 126 Y HN 0.161 nan 8.280 nan 0.000 0.532 127 L N -1.224 120.149 121.223 0.249 0.000 2.046 127 L HA -0.174 4.167 4.340 0.002 0.000 0.208 127 L C 2.287 179.257 176.870 0.166 0.000 1.077 127 L CA 0.825 55.757 54.840 0.152 0.000 0.747 127 L CB -0.825 41.269 42.059 0.058 0.000 0.896 127 L HN 0.046 nan 8.230 nan 0.000 0.432 128 V N -0.229 119.785 119.914 0.165 0.000 2.427 128 V HA -0.236 3.886 4.120 0.002 0.000 0.248 128 V C 2.616 178.791 176.094 0.135 0.000 1.051 128 V CA 1.600 63.977 62.300 0.129 0.000 1.048 128 V CB -0.596 31.343 31.823 0.193 0.000 0.666 128 V HN 0.398 nan 8.190 nan 0.000 0.456 129 R N -1.359 119.218 120.500 0.128 0.000 2.115 129 R HA -0.131 4.210 4.340 0.002 0.000 0.230 129 R C 2.197 178.498 176.300 0.002 0.000 1.111 129 R CA 1.553 57.658 56.100 0.009 0.000 0.976 129 R CB -0.374 29.826 30.300 -0.166 0.000 0.870 129 R HN 0.497 nan 8.270 nan 0.000 0.445 130 F N 1.453 121.388 119.950 -0.024 0.000 2.084 130 F HA -0.124 4.405 4.527 0.002 0.000 0.296 130 F C 2.015 177.833 175.800 0.030 0.000 1.111 130 F CA 1.313 59.322 58.000 0.015 0.000 1.224 130 F CB -0.316 38.731 39.000 0.079 0.000 0.991 130 F HN -0.136 nan 8.300 nan 0.000 0.471 131 L N -0.655 120.750 121.223 0.304 0.000 2.051 131 L HA -0.322 4.019 4.340 0.002 0.000 0.214 131 L C 2.507 179.412 176.870 0.058 0.000 1.076 131 L CA 1.643 56.570 54.840 0.144 0.000 0.758 131 L CB -1.152 40.909 42.059 0.003 0.000 0.890 131 L HN 0.087 nan 8.230 nan 0.000 0.433 132 S N -0.514 115.224 115.700 0.063 0.000 2.359 132 S HA -0.248 4.224 4.470 0.002 0.000 0.224 132 S C 1.660 176.296 174.600 0.060 0.000 1.035 132 S CA 1.789 60.049 58.200 0.099 0.000 1.018 132 S CB -0.342 62.984 63.200 0.212 0.000 0.876 132 S HN 0.466 nan 8.310 nan 0.000 0.448 133 D N 0.965 121.368 120.400 0.005 0.000 2.224 133 D HA 0.035 4.676 4.640 0.002 0.000 0.205 133 D C 1.666 177.880 176.300 -0.143 0.000 0.965 133 D CA 0.437 54.419 54.000 -0.030 0.000 0.852 133 D CB -0.204 40.556 40.800 -0.067 0.000 0.947 133 D HN 0.270 nan 8.370 nan 0.000 0.494 134 L N -0.388 120.773 121.223 -0.104 0.000 2.349 134 L HA -0.126 4.215 4.340 0.002 0.000 0.220 134 L C 2.120 178.946 176.870 -0.074 0.000 1.130 134 L CA 0.236 55.038 54.840 -0.064 0.000 0.791 134 L CB -0.097 42.013 42.059 0.085 0.000 0.918 134 L HN 0.064 nan 8.230 nan 0.000 0.444 135 V N -0.278 119.590 119.914 -0.075 0.000 2.427 135 V HA -0.224 3.897 4.120 0.002 0.000 0.248 135 V C 2.053 178.026 176.094 -0.201 0.000 1.051 135 V CA 1.516 63.757 62.300 -0.097 0.000 1.048 135 V CB -0.556 31.235 31.823 -0.054 0.000 0.666 135 V HN 0.540 nan 8.190 nan 0.000 0.456 136 N N -0.347 118.202 118.700 -0.252 0.000 2.381 136 N HA -0.107 4.634 4.740 0.002 0.000 0.182 136 N C 1.276 176.479 175.510 -0.511 0.000 1.025 136 N CA 1.401 54.218 53.050 -0.388 0.000 0.888 136 N CB -0.247 37.970 38.487 -0.450 0.000 0.965 136 N HN 0.445 nan 8.380 nan 0.000 0.438 137 C N 0.078 119.127 119.300 -0.417 0.000 2.589 137 C HA 0.228 4.690 4.460 0.002 0.000 0.307 137 C C 0.307 175.351 174.990 0.090 0.000 1.328 137 C CA -0.510 58.393 59.018 -0.192 0.000 1.742 137 C CB -1.975 25.645 27.740 -0.200 0.000 2.037 137 C HN 0.475 nan 8.230 nan 0.000 0.592 138 H N -1.651 117.386 119.070 -0.054 0.000 2.820 138 H HA -0.148 4.409 4.556 0.002 0.000 0.295 138 H C 0.984 176.353 175.328 0.068 0.000 1.187 138 H CA 0.898 56.955 56.048 0.016 0.000 1.144 138 H CB -1.565 28.217 29.762 0.033 0.000 1.354 138 H HN 0.398 nan 8.280 nan 0.000 0.395 139 V N -0.772 119.228 119.914 0.144 0.000 3.263 139 V HA 0.170 4.291 4.120 0.002 0.000 0.248 139 V C 1.080 177.305 176.094 0.219 0.000 1.145 139 V CA 1.203 63.628 62.300 0.209 0.000 1.107 139 V CB 0.501 32.426 31.823 0.170 0.000 0.797 139 V HN 0.274 nan 8.190 nan 0.000 0.467 140 I N 0.380 121.016 120.570 0.111 0.000 2.533 140 I HA 0.603 4.775 4.170 0.002 0.000 0.290 140 I C 0.006 176.144 176.117 0.035 0.000 1.056 140 I CA -0.752 60.600 61.300 0.086 0.000 1.057 140 I CB 1.866 39.893 38.000 0.045 0.000 1.240 140 I HN 0.070 nan 8.210 nan 0.000 0.423 141 A N 4.098 126.944 122.820 0.043 0.000 2.450 141 A HA 0.500 4.821 4.320 0.002 0.000 0.255 141 A C 1.247 178.826 177.584 -0.008 0.000 1.096 141 A CA 0.360 52.405 52.037 0.014 0.000 0.778 141 A CB 0.655 19.671 19.000 0.027 0.000 1.031 141 A HN 0.985 nan 8.150 nan 0.000 0.494 142 A N 4.242 127.048 122.820 -0.023 0.000 1.940 142 A HA -0.018 4.304 4.320 0.002 0.000 0.219 142 A C -0.320 177.258 177.584 -0.011 0.000 1.176 142 A CA 1.918 53.942 52.037 -0.022 0.000 0.631 142 A CB -1.320 17.659 19.000 -0.035 0.000 0.814 142 A HN 0.618 nan 8.150 nan 0.000 0.446 143 P HA -0.103 nan 4.420 nan 0.000 0.219 143 P C 1.824 179.120 177.300 -0.006 0.000 1.150 143 P CA 1.753 64.851 63.100 -0.004 0.000 0.814 143 P CB -0.158 31.539 31.700 -0.004 0.000 0.787 144 S N -1.680 114.013 115.700 -0.012 0.000 2.423 144 S HA -0.121 4.350 4.470 0.002 0.000 0.231 144 S C 1.948 176.503 174.600 -0.075 0.000 1.014 144 S CA 0.951 59.137 58.200 -0.023 0.000 0.965 144 S CB -1.076 62.120 63.200 -0.006 0.000 0.785 144 S HN -0.059 nan 8.310 nan 0.000 0.495 145 M N 1.837 121.385 119.600 -0.087 0.000 2.123 145 M HA 0.144 4.625 4.480 0.002 0.000 0.263 145 M C 2.006 178.217 176.300 -0.147 0.000 1.069 145 M CA 1.181 56.366 55.300 -0.191 0.000 1.133 145 M CB -0.683 31.845 32.600 -0.120 0.000 1.356 145 M HN 0.183 nan 8.290 nan 0.000 0.415 146 V N 0.632 120.560 119.914 0.024 0.000 2.380 146 V HA -0.320 3.801 4.120 0.002 0.000 0.251 146 V C 2.523 178.654 176.094 0.061 0.000 1.063 146 V CA 1.959 64.332 62.300 0.121 0.000 1.055 146 V CB -1.663 30.211 31.823 0.085 0.000 0.657 146 V HN 0.642 nan 8.190 nan 0.000 0.455 147 A N -0.788 122.030 122.820 -0.004 0.000 1.929 147 A HA -0.207 4.114 4.320 0.002 0.000 0.216 147 A C 2.234 179.814 177.584 -0.007 0.000 1.176 147 A CA 2.043 54.082 52.037 0.004 0.000 0.628 147 A CB -0.436 18.569 19.000 0.008 0.000 0.816 147 A HN 0.543 nan 8.150 nan 0.000 0.444 148 M N -1.641 117.890 119.600 -0.116 0.000 2.132 148 M HA -0.073 4.409 4.480 0.002 0.000 0.263 148 M C 1.530 177.714 176.300 -0.192 0.000 1.065 148 M CA 1.809 57.015 55.300 -0.157 0.000 1.122 148 M CB -0.218 32.142 32.600 -0.399 0.000 1.365 148 M HN 0.288 nan 8.290 nan 0.000 0.411 149 F N 1.265 121.079 119.950 -0.226 0.000 2.269 149 F HA -0.136 4.392 4.527 0.002 0.000 0.301 149 F C 2.272 177.943 175.800 -0.215 0.000 1.082 149 F CA 1.283 59.098 58.000 -0.308 0.000 1.360 149 F CB -0.906 37.972 39.000 -0.202 0.000 1.041 149 F HN 0.310 nan 8.300 nan 0.000 0.512 150 E N -0.025 120.210 120.200 0.059 0.000 2.051 150 E HA -0.207 4.144 4.350 0.002 0.000 0.192 150 E C 1.936 178.586 176.600 0.084 0.000 0.991 150 E CA 1.191 57.611 56.400 0.032 0.000 0.799 150 E CB -0.186 29.538 29.700 0.040 0.000 0.748 150 E HN 0.341 nan 8.360 nan 0.000 0.449 151 N N 0.178 118.979 118.700 0.169 0.000 2.244 151 N HA -0.120 4.621 4.740 0.002 0.000 0.183 151 N C 1.580 177.251 175.510 0.269 0.000 1.016 151 N CA 0.778 53.953 53.050 0.207 0.000 0.866 151 N CB -0.328 38.329 38.487 0.282 0.000 0.980 151 N HN 0.071 nan 8.380 nan 0.000 0.430 152 F N 1.210 121.234 119.950 0.123 0.000 2.046 152 F HA -0.114 4.414 4.527 0.002 0.000 0.297 152 F C 2.438 178.250 175.800 0.020 0.000 1.123 152 F CA 0.694 58.808 58.000 0.190 0.000 1.199 152 F CB -0.964 38.248 39.000 0.354 0.000 0.972 152 F HN -0.183 nan 8.300 nan 0.000 0.474 153 V N 0.004 119.991 119.914 0.121 0.000 2.626 153 V HA -0.232 3.889 4.120 0.002 0.000 0.252 153 V C 2.363 178.405 176.094 -0.087 0.000 1.067 153 V CA 1.749 64.017 62.300 -0.053 0.000 1.081 153 V CB -1.048 30.667 31.823 -0.180 0.000 0.686 153 V HN 0.513 nan 8.190 nan 0.000 0.468 154 S N -0.532 115.139 115.700 -0.049 0.000 2.469 154 S HA -0.125 4.346 4.470 0.002 0.000 0.238 154 S C 1.852 176.376 174.600 -0.126 0.000 0.998 154 S CA 1.285 59.443 58.200 -0.071 0.000 0.957 154 S CB -0.355 62.824 63.200 -0.035 0.000 0.764 154 S HN 0.342 nan 8.310 nan 0.000 0.514 155 V N 3.191 122.997 119.914 -0.180 0.000 2.568 155 V HA -0.166 3.955 4.120 0.002 0.000 0.253 155 V C 3.007 178.965 176.094 -0.228 0.000 1.072 155 V CA 2.005 64.152 62.300 -0.255 0.000 1.084 155 V CB -1.754 29.813 31.823 -0.427 0.000 0.676 155 V HN 0.899 nan 8.190 nan 0.000 0.469 156 T N -2.720 111.669 114.554 -0.276 0.000 3.052 156 T HA -0.236 4.115 4.350 0.002 0.000 0.270 156 T C 1.589 176.186 174.700 -0.172 0.000 1.147 156 T CA 1.322 63.200 62.100 -0.370 0.000 1.089 156 T CB -0.183 68.372 68.868 -0.521 0.000 0.875 156 T HN 0.381 nan 8.240 nan 0.000 0.541 157 Q N 0.769 120.490 119.800 -0.131 0.000 2.373 157 Q HA 0.303 4.645 4.340 0.002 0.000 0.210 157 Q C 0.654 176.610 176.000 -0.073 0.000 0.913 157 Q CA 0.303 56.059 55.803 -0.079 0.000 0.911 157 Q CB 0.181 28.881 28.738 -0.064 0.000 1.040 157 Q HN 0.720 nan 8.270 nan 0.000 0.521 158 E N 1.159 121.302 120.200 -0.094 0.000 2.459 158 E HA -0.046 4.305 4.350 0.002 0.000 0.264 158 E C -0.349 176.206 176.600 -0.075 0.000 1.055 158 E CA 0.441 56.791 56.400 -0.084 0.000 0.957 158 E CB 0.409 30.050 29.700 -0.098 0.000 0.952 158 E HN 0.103 nan 8.360 nan 0.000 0.448 159 E N 1.763 121.923 120.200 -0.067 0.000 2.248 159 E HA 0.042 4.393 4.350 0.002 0.000 0.272 159 E C -0.355 176.194 176.600 -0.085 0.000 1.008 159 E CA -0.363 55.999 56.400 -0.063 0.000 0.856 159 E CB 0.958 30.630 29.700 -0.047 0.000 1.120 159 E HN 0.486 nan 8.360 nan 0.000 0.397 160 D N 0.392 120.740 120.400 -0.087 0.000 2.723 160 D HA -0.154 4.488 4.640 0.002 0.000 0.236 160 D C -0.660 175.524 176.300 -0.194 0.000 1.138 160 D CA 0.824 54.757 54.000 -0.113 0.000 0.676 160 D CB -0.799 39.946 40.800 -0.092 0.000 1.069 160 D HN 0.273 nan 8.370 nan 0.000 0.430 161 V N -3.094 116.699 119.914 -0.201 0.000 2.962 161 V HA 0.802 4.924 4.120 0.002 0.000 0.313 161 V C -2.588 173.380 176.094 -0.209 0.000 1.099 161 V CA -1.800 60.316 62.300 -0.307 0.000 0.971 161 V CB 2.181 33.846 31.823 -0.263 0.000 1.028 161 V HN -0.212 nan 8.190 nan 0.000 0.430 162 P HA 0.166 nan 4.420 nan 0.000 0.267 162 P C 0.556 177.771 177.300 -0.141 0.000 1.200 162 P CA 0.138 63.151 63.100 -0.146 0.000 0.772 162 P CB 0.617 32.253 31.700 -0.107 0.000 0.855 163 Q N 2.441 122.195 119.800 -0.076 0.000 2.135 163 Q HA -0.175 4.166 4.340 0.002 0.000 0.204 163 Q C 1.538 177.519 176.000 -0.031 0.000 0.981 163 Q CA 2.120 57.922 55.803 -0.002 0.000 0.856 163 Q CB -0.385 28.363 28.738 0.017 0.000 0.902 163 Q HN 0.385 nan 8.270 nan 0.000 0.425 164 V N -1.186 118.661 119.914 -0.111 0.000 2.594 164 V HA -0.234 3.888 4.120 0.002 0.000 0.253 164 V C 2.316 178.257 176.094 -0.255 0.000 1.069 164 V CA 2.129 64.354 62.300 -0.126 0.000 1.082 164 V CB -0.911 30.842 31.823 -0.116 0.000 0.680 164 V HN 0.347 nan 8.190 nan 0.000 0.469 165 R N 0.700 120.881 120.500 -0.532 0.000 2.055 165 R HA -0.085 4.256 4.340 0.002 0.000 0.228 165 R C 2.680 178.923 176.300 -0.095 0.000 1.143 165 R CA 1.607 57.277 56.100 -0.717 0.000 0.945 165 R CB -0.275 29.503 30.300 -0.871 0.000 0.841 165 R HN 0.479 nan 8.270 nan 0.000 0.429 166 R N 0.625 121.066 120.500 -0.099 0.000 2.096 166 R HA -0.166 4.176 4.340 0.002 0.000 0.240 166 R C 1.997 178.303 176.300 0.009 0.000 1.139 166 R CA 1.963 58.004 56.100 -0.099 0.000 0.952 166 R CB -0.558 29.605 30.300 -0.230 0.000 0.854 166 R HN 0.320 nan 8.270 nan 0.000 0.436 167 D N -0.262 120.200 120.400 0.102 0.000 2.116 167 D HA -0.213 4.428 4.640 0.002 0.000 0.193 167 D C 1.417 177.864 176.300 0.244 0.000 0.998 167 D CA 1.060 55.176 54.000 0.195 0.000 0.836 167 D CB -0.359 40.562 40.800 0.202 0.000 0.951 167 D HN 0.285 nan 8.370 nan 0.000 0.449 168 W N 0.487 121.828 121.300 0.068 0.000 2.332 168 W HA -0.282 4.379 4.660 0.002 0.000 0.321 168 W C 2.186 178.796 176.519 0.152 0.000 1.219 168 W CA 1.618 59.011 57.345 0.081 0.000 1.277 168 W CB -0.921 28.456 29.460 -0.139 0.000 1.161 168 W HN 0.023 nan 8.180 nan 0.000 0.476 169 Y N -0.148 120.320 120.300 0.281 0.000 2.151 169 Y HA -0.337 4.215 4.550 0.002 0.000 0.284 169 Y C 2.540 178.509 175.900 0.114 0.000 1.166 169 Y CA 2.253 60.407 58.100 0.089 0.000 1.163 169 Y CB -1.306 37.190 38.460 0.060 0.000 0.974 169 Y HN -0.198 nan 8.280 nan 0.000 0.511 170 V N -0.926 119.118 119.914 0.217 0.000 2.295 170 V HA -0.344 3.777 4.120 0.002 0.000 0.246 170 V C 1.993 178.169 176.094 0.136 0.000 1.049 170 V CA 2.157 64.567 62.300 0.183 0.000 1.024 170 V CB -0.894 30.988 31.823 0.099 0.000 0.648 170 V HN 0.503 nan 8.190 nan 0.000 0.447 171 Y N 1.411 121.671 120.300 -0.068 0.000 2.128 171 Y HA -0.267 4.284 4.550 0.002 0.000 0.284 171 Y C 2.363 178.148 175.900 -0.193 0.000 1.154 171 Y CA 1.735 59.755 58.100 -0.133 0.000 1.149 171 Y CB -0.604 37.815 38.460 -0.068 0.000 0.976 171 Y HN 0.159 nan 8.280 nan 0.000 0.505 172 A N -0.158 122.422 122.820 -0.399 0.000 1.972 172 A HA -0.199 4.122 4.320 0.002 0.000 0.219 172 A C 2.132 179.628 177.584 -0.148 0.000 1.169 172 A CA 1.645 53.443 52.037 -0.398 0.000 0.635 172 A CB -1.444 17.202 19.000 -0.590 0.000 0.810 172 A HN 0.681 nan 8.150 nan 0.000 0.446 173 F N 0.522 120.345 119.950 -0.211 0.000 2.053 173 F HA -0.026 4.503 4.527 0.002 0.000 0.292 173 F C 1.838 177.303 175.800 -0.559 0.000 1.125 173 F CA 1.535 59.214 58.000 -0.535 0.000 1.193 173 F CB -0.637 38.163 39.000 -0.334 0.000 0.996 173 F HN 0.103 nan 8.300 nan 0.000 0.470 174 L N -0.230 120.510 121.223 -0.805 0.000 2.127 174 L HA -0.241 4.100 4.340 0.002 0.000 0.211 174 L C 2.641 179.138 176.870 -0.622 0.000 1.089 174 L CA 1.445 55.788 54.840 -0.829 0.000 0.757 174 L CB -1.080 40.710 42.059 -0.449 0.000 0.899 174 L HN 0.219 nan 8.230 nan 0.000 0.434 175 S N -0.745 114.603 115.700 -0.587 0.000 2.400 175 S HA -0.161 4.310 4.470 0.002 0.000 0.232 175 S C 2.101 176.682 174.600 -0.032 0.000 1.025 175 S CA 1.568 59.517 58.200 -0.418 0.000 0.993 175 S CB -0.039 62.841 63.200 -0.534 0.000 0.808 175 S HN 0.426 nan 8.310 nan 0.000 0.478 176 S N 1.065 116.688 115.700 -0.128 0.000 2.496 176 S HA 0.225 4.696 4.470 0.002 0.000 0.224 176 S C 1.607 176.319 174.600 0.186 0.000 0.996 176 S CA 0.173 58.440 58.200 0.112 0.000 0.927 176 S CB -0.120 63.118 63.200 0.064 0.000 0.774 176 S HN 0.407 nan 8.310 nan 0.000 0.524 177 L N 1.433 122.617 121.223 -0.065 0.000 2.131 177 L HA -0.050 4.292 4.340 0.002 0.000 0.210 177 L C -0.964 175.977 176.870 0.117 0.000 1.092 177 L CA 1.106 55.938 54.840 -0.013 0.000 0.759 177 L CB -1.925 40.100 42.059 -0.056 0.000 0.903 177 L HN 0.196 nan 8.230 nan 0.000 0.435 178 P HA -0.183 nan 4.420 nan 0.000 0.219 178 P C 1.403 178.598 177.300 -0.176 0.000 1.146 178 P CA 1.432 64.459 63.100 -0.121 0.000 0.808 178 P CB -0.055 31.429 31.700 -0.361 0.000 0.779 179 W N -1.509 119.854 121.300 0.105 0.000 2.539 179 W HA 0.181 4.842 4.660 0.002 0.000 0.281 179 W C 1.501 178.071 176.519 0.085 0.000 1.220 179 W CA 0.581 57.993 57.345 0.113 0.000 1.332 179 W CB -0.312 29.216 29.460 0.114 0.000 1.095 179 W HN -0.251 nan 8.180 nan 0.000 0.571 180 V N -0.014 120.052 119.914 0.254 0.000 3.330 180 V HA 0.238 4.359 4.120 0.002 0.000 0.309 180 V C 1.748 177.832 176.094 -0.017 0.000 1.481 180 V CA 0.891 63.266 62.300 0.126 0.000 1.068 180 V CB 0.002 31.915 31.823 0.150 0.000 0.935 180 V HN 0.063 nan 8.190 nan 0.000 0.453 181 G N 0.497 109.271 108.800 -0.043 0.000 2.469 181 G HA2 -0.330 3.631 3.960 0.002 0.000 0.219 181 G HA3 -0.330 3.631 3.960 0.002 0.000 0.219 181 G C 1.406 175.840 174.900 -0.777 0.000 1.150 181 G CA 1.429 46.279 45.100 -0.417 0.000 0.763 181 G HN 0.525 nan 8.290 nan 0.000 0.561 182 K N -0.111 120.134 120.400 -0.258 0.000 2.001 182 K HA -0.062 4.260 4.320 0.002 0.000 0.208 182 K C 2.470 178.953 176.600 -0.195 0.000 1.048 182 K CA 1.217 57.389 56.287 -0.191 0.000 0.932 182 K CB -0.109 32.426 32.500 0.059 0.000 0.715 182 K HN 0.106 nan 8.250 nan 0.000 0.437 183 E N 0.609 120.739 120.200 -0.115 0.000 2.051 183 E HA -0.177 4.174 4.350 0.002 0.000 0.192 183 E C 2.033 178.566 176.600 -0.112 0.000 0.991 183 E CA 1.022 57.369 56.400 -0.088 0.000 0.799 183 E CB -0.157 29.506 29.700 -0.063 0.000 0.748 183 E HN 0.186 nan 8.360 nan 0.000 0.449 184 L N -0.230 120.915 121.223 -0.131 0.000 2.083 184 L HA -0.185 4.156 4.340 0.002 0.000 0.209 184 L C 2.285 179.071 176.870 -0.140 0.000 1.083 184 L CA 1.372 56.155 54.840 -0.094 0.000 0.752 184 L CB -0.832 41.214 42.059 -0.022 0.000 0.899 184 L HN 0.203 nan 8.230 nan 0.000 0.433 185 Y N -0.341 119.693 120.300 -0.443 0.000 2.420 185 Y HA -0.120 4.432 4.550 0.002 0.000 0.292 185 Y C 2.514 178.268 175.900 -0.243 0.000 1.119 185 Y CA 1.000 58.838 58.100 -0.436 0.000 1.229 185 Y CB 0.230 38.192 38.460 -0.830 0.000 1.026 185 Y HN 0.210 nan 8.280 nan 0.000 0.554 186 E N 0.129 120.256 120.200 -0.122 0.000 2.047 186 E HA -0.159 4.192 4.350 0.002 0.000 0.191 186 E C 1.971 178.502 176.600 -0.115 0.000 0.987 186 E CA 1.514 57.861 56.400 -0.088 0.000 0.799 186 E CB 0.036 29.709 29.700 -0.045 0.000 0.752 186 E HN 0.299 nan 8.360 nan 0.000 0.449 187 K N -0.657 119.678 120.400 -0.107 0.000 2.186 187 K HA 0.051 4.373 4.320 0.002 0.000 0.202 187 K C 0.372 176.910 176.600 -0.104 0.000 1.052 187 K CA 0.688 56.923 56.287 -0.086 0.000 0.965 187 K CB 0.439 32.902 32.500 -0.061 0.000 0.746 187 K HN -0.164 nan 8.250 nan 0.000 0.457 188 K N 1.421 121.736 120.400 -0.142 0.000 3.350 188 K HA 0.011 4.333 4.320 0.002 0.000 0.181 188 K C -0.280 176.185 176.600 -0.226 0.000 1.064 188 K CA 0.122 56.328 56.287 -0.134 0.000 0.839 188 K CB 1.081 33.543 32.500 -0.063 0.000 0.819 188 K HN 0.174 nan 8.250 nan 0.000 0.523 189 D N 0.265 120.435 120.400 -0.383 0.000 2.144 189 D HA -0.135 4.507 4.640 0.002 0.000 0.200 189 D C 1.357 177.421 176.300 -0.394 0.000 0.978 189 D CA 1.225 54.787 54.000 -0.729 0.000 0.833 189 D CB 0.200 40.390 40.800 -1.018 0.000 0.961 189 D HN 0.110 nan 8.370 nan 0.000 0.470 190 A N 0.946 123.638 122.820 -0.213 0.000 1.877 190 A HA -0.221 4.101 4.320 0.002 0.000 0.216 190 A C 2.258 179.820 177.584 -0.036 0.000 1.186 190 A CA 1.943 53.924 52.037 -0.093 0.000 0.620 190 A CB -0.909 18.054 19.000 -0.061 0.000 0.822 190 A HN 0.438 nan 8.150 nan 0.000 0.443 191 E N -1.071 119.108 120.200 -0.036 0.000 2.150 191 E HA -0.153 4.198 4.350 0.002 0.000 0.193 191 E C 1.878 178.522 176.600 0.073 0.000 0.985 191 E CA 1.075 57.486 56.400 0.018 0.000 0.814 191 E CB -0.138 29.570 29.700 0.012 0.000 0.752 191 E HN 0.456 nan 8.360 nan 0.000 0.466 192 M N 1.081 120.709 119.600 0.047 0.000 2.175 192 M HA -0.105 4.377 4.480 0.002 0.000 0.264 192 M C 1.465 177.866 176.300 0.168 0.000 1.063 192 M CA 1.111 56.494 55.300 0.139 0.000 1.119 192 M CB -0.577 32.065 32.600 0.071 0.000 1.377 192 M HN 0.101 nan 8.290 nan 0.000 0.415 193 D N -0.165 120.301 120.400 0.111 0.000 2.178 193 D HA -0.124 4.517 4.640 0.002 0.000 0.201 193 D C 2.134 178.580 176.300 0.244 0.000 0.980 193 D CA 0.861 54.962 54.000 0.169 0.000 0.842 193 D CB -0.194 40.682 40.800 0.126 0.000 0.948 193 D HN 0.319 nan 8.370 nan 0.000 0.472 194 R N 0.326 120.938 120.500 0.187 0.000 2.073 194 R HA -0.051 4.291 4.340 0.002 0.000 0.234 194 R C 2.411 178.844 176.300 0.222 0.000 1.134 194 R CA 0.805 57.007 56.100 0.169 0.000 0.952 194 R CB -0.153 30.211 30.300 0.106 0.000 0.850 194 R HN 0.199 nan 8.270 nan 0.000 0.433 195 I N -0.057 120.683 120.570 0.284 0.000 2.315 195 I HA -0.233 3.938 4.170 0.002 0.000 0.248 195 I C 1.731 178.075 176.117 0.377 0.000 1.117 195 I CA 0.959 62.412 61.300 0.255 0.000 1.404 195 I CB -0.364 37.743 38.000 0.180 0.000 1.071 195 I HN 0.078 nan 8.210 nan 0.000 0.419 196 F N 1.575 121.706 119.950 0.301 0.000 2.216 196 F HA -0.153 4.375 4.527 0.002 0.000 0.300 196 F C 2.650 178.653 175.800 0.339 0.000 1.085 196 F CA 1.057 59.325 58.000 0.448 0.000 1.326 196 F CB -1.032 38.246 39.000 0.463 0.000 1.027 196 F HN 0.008 nan 8.300 nan 0.000 0.497 197 A N 0.353 123.407 122.820 0.390 0.000 1.858 197 A HA -0.215 4.107 4.320 0.002 0.000 0.216 197 A C 2.103 179.757 177.584 0.117 0.000 1.190 197 A CA 2.040 54.209 52.037 0.221 0.000 0.617 197 A CB -1.025 18.078 19.000 0.172 0.000 0.827 197 A HN 0.347 nan 8.150 nan 0.000 0.443 198 N N -0.325 118.437 118.700 0.104 0.000 2.018 198 N HA -0.123 4.619 4.740 0.002 0.000 0.196 198 N C 1.766 177.284 175.510 0.012 0.000 1.043 198 N CA 2.220 55.297 53.050 0.046 0.000 0.856 198 N CB -0.783 37.721 38.487 0.028 0.000 1.042 198 N HN 0.465 nan 8.380 nan 0.000 0.423 199 T N 0.443 114.995 114.554 -0.002 0.000 2.665 199 T HA -0.227 4.125 4.350 0.002 0.000 0.268 199 T C 1.707 176.254 174.700 -0.254 0.000 1.035 199 T CA 1.586 63.641 62.100 -0.075 0.000 1.151 199 T CB -0.352 68.489 68.868 -0.046 0.000 0.862 199 T HN 0.435 nan 8.240 nan 0.000 0.438 200 E N 0.896 120.871 120.200 -0.376 0.000 2.051 200 E HA -0.166 4.185 4.350 0.002 0.000 0.192 200 E C 2.396 178.803 176.600 -0.321 0.000 0.991 200 E CA 1.545 57.574 56.400 -0.619 0.000 0.799 200 E CB -0.176 29.336 29.700 -0.314 0.000 0.748 200 E HN 0.582 nan 8.360 nan 0.000 0.449 201 S N -0.343 115.277 115.700 -0.134 0.000 2.382 201 S HA -0.252 4.219 4.470 0.002 0.000 0.228 201 S C 2.084 176.634 174.600 -0.084 0.000 1.027 201 S CA 1.199 59.351 58.200 -0.080 0.000 0.991 201 S CB -0.792 62.397 63.200 -0.017 0.000 0.823 201 S HN 0.571 nan 8.310 nan 0.000 0.469 202 Y N 2.434 122.636 120.300 -0.164 0.000 2.145 202 Y HA 0.019 4.571 4.550 0.002 0.000 0.286 202 Y C 2.007 177.801 175.900 -0.177 0.000 1.145 202 Y CA 1.484 59.496 58.100 -0.146 0.000 1.148 202 Y CB -0.507 37.879 38.460 -0.125 0.000 0.981 202 Y HN 0.236 nan 8.280 nan 0.000 0.507 203 L N 0.258 121.253 121.223 -0.380 0.000 2.012 203 L HA -0.272 4.069 4.340 0.002 0.000 0.210 203 L C 2.424 179.051 176.870 -0.406 0.000 1.073 203 L CA 1.887 56.447 54.840 -0.466 0.000 0.748 203 L CB -0.632 41.123 42.059 -0.507 0.000 0.891 203 L HN 0.140 nan 8.230 nan 0.000 0.431 204 K N -0.220 119.984 120.400 -0.326 0.000 2.211 204 K HA -0.178 4.144 4.320 0.002 0.000 0.204 204 K C 2.229 178.696 176.600 -0.222 0.000 1.047 204 K CA 1.192 57.342 56.287 -0.228 0.000 0.935 204 K CB -0.089 32.312 32.500 -0.165 0.000 0.728 204 K HN 0.260 nan 8.250 nan 0.000 0.452 205 R N 0.383 120.710 120.500 -0.288 0.000 2.173 205 R HA 0.072 4.413 4.340 0.002 0.000 0.208 205 R C 0.522 176.646 176.300 -0.293 0.000 1.035 205 R CA 0.104 56.056 56.100 -0.248 0.000 1.004 205 R CB 0.240 30.418 30.300 -0.204 0.000 0.917 205 R HN 0.038 nan 8.270 nan 0.000 0.462 206 R N 1.779 122.009 120.500 -0.450 0.000 2.756 206 R HA -0.055 4.287 4.340 0.002 0.000 0.264 206 R C 0.008 176.194 176.300 -0.190 0.000 1.026 206 R CA 0.538 56.414 56.100 -0.374 0.000 1.121 206 R CB 0.343 30.395 30.300 -0.413 0.000 0.999 206 R HN 0.232 nan 8.270 nan 0.000 0.449 207 Q N 1.903 121.635 119.800 -0.113 0.000 2.227 207 Q HA 0.237 4.578 4.340 0.002 0.000 0.245 207 Q C -0.407 175.550 176.000 -0.073 0.000 0.926 207 Q CA -0.739 55.015 55.803 -0.082 0.000 0.895 207 Q CB 1.260 29.963 28.738 -0.059 0.000 1.230 207 Q HN 0.243 nan 8.270 nan 0.000 0.450 208 K N 1.462 121.763 120.400 -0.165 0.000 2.618 208 K HA 0.153 4.474 4.320 0.002 0.000 0.207 208 K C 0.751 177.106 176.600 -0.408 0.000 1.058 208 K CA -0.076 55.996 56.287 -0.358 0.000 1.086 208 K CB 0.406 32.758 32.500 -0.247 0.000 0.827 208 K HN 0.644 nan 8.250 nan 0.000 0.481 209 T N 1.059 115.472 114.554 -0.234 0.000 2.803 209 T HA -0.145 4.206 4.350 0.002 0.000 0.269 209 T C 1.600 176.203 174.700 -0.161 0.000 1.052 209 T CA 1.501 63.507 62.100 -0.156 0.000 1.136 209 T CB -0.246 68.569 68.868 -0.088 0.000 0.864 209 T HN 0.478 nan 8.240 nan 0.000 0.467 210 H N 0.365 119.384 119.070 -0.084 0.000 2.495 210 H HA 0.125 4.682 4.556 0.002 0.000 0.287 210 H C 2.139 177.431 175.328 -0.060 0.000 1.033 210 H CA 0.617 56.612 56.048 -0.087 0.000 1.307 210 H CB -0.983 28.726 29.762 -0.088 0.000 1.401 210 H HN 0.226 nan 8.280 nan 0.000 0.555 211 V N 2.461 122.152 119.914 -0.373 0.000 2.287 211 V HA -0.180 3.942 4.120 0.002 0.000 0.248 211 V C -0.320 175.737 176.094 -0.062 0.000 1.053 211 V CA 2.182 64.379 62.300 -0.172 0.000 1.027 211 V CB -1.376 30.322 31.823 -0.209 0.000 0.646 211 V HN 0.420 nan 8.190 nan 0.000 0.447 212 P HA -0.148 nan 4.420 nan 0.000 0.220 212 P C 1.805 179.084 177.300 -0.035 0.000 1.148 212 P CA 1.420 64.495 63.100 -0.041 0.000 0.803 212 P CB -0.116 31.560 31.700 -0.041 0.000 0.782 213 M N -1.450 118.130 119.600 -0.034 0.000 2.419 213 M HA -0.009 4.472 4.480 0.002 0.000 0.264 213 M C 1.143 177.426 176.300 -0.029 0.000 1.082 213 M CA 1.479 56.760 55.300 -0.030 0.000 1.119 213 M CB -0.120 32.462 32.600 -0.029 0.000 1.398 213 M HN -0.083 nan 8.290 nan 0.000 0.453 214 L N -1.152 120.064 121.223 -0.013 0.000 2.701 214 L HA 0.201 4.543 4.340 0.002 0.000 0.238 214 L C 0.422 177.282 176.870 -0.016 0.000 1.106 214 L CA -0.224 54.608 54.840 -0.013 0.000 0.898 214 L CB 0.177 42.246 42.059 0.017 0.000 1.188 214 L HN 0.180 nan 8.230 nan 0.000 0.508 215 Q N 0.043 119.833 119.800 -0.016 0.000 2.373 215 Q HA 0.069 4.411 4.340 0.002 0.000 0.255 215 Q C 1.027 176.964 176.000 -0.105 0.000 0.980 215 Q CA -0.304 55.490 55.803 -0.016 0.000 0.882 215 Q CB 2.190 30.936 28.738 0.013 0.000 1.249 215 Q HN -0.011 nan 8.270 nan 0.000 0.438 216 V N 1.278 121.084 119.914 -0.181 0.000 2.535 216 V HA -0.042 4.079 4.120 0.002 0.000 0.246 216 V C 0.161 175.822 176.094 -0.722 0.000 1.045 216 V CA 0.914 62.897 62.300 -0.528 0.000 1.058 216 V CB 0.012 31.400 31.823 -0.725 0.000 0.689 216 V HN 0.636 nan 8.190 nan 0.000 0.461 217 W N -0.150 121.093 121.300 -0.094 0.000 2.819 217 W HA 0.384 5.045 4.660 0.002 0.000 0.337 217 W C 1.118 177.591 176.519 -0.077 0.000 1.077 217 W CA -0.064 57.214 57.345 -0.111 0.000 1.226 217 W CB 1.378 30.752 29.460 -0.144 0.000 1.419 217 W HN 0.077 nan 8.180 nan 0.000 0.502 218 T N -1.063 113.577 114.554 0.144 0.000 3.035 218 T HA 0.208 4.559 4.350 0.002 0.000 0.259 218 T C 0.976 175.714 174.700 0.062 0.000 1.078 218 T CA 0.310 62.456 62.100 0.076 0.000 1.132 218 T CB 0.015 68.908 68.868 0.042 0.000 0.900 218 T HN 0.372 nan 8.240 nan 0.000 0.480 219 A N 1.902 124.760 122.820 0.062 0.000 2.483 219 A HA 0.233 4.555 4.320 0.002 0.000 0.238 219 A C 1.066 178.636 177.584 -0.022 0.000 1.070 219 A CA -0.181 51.852 52.037 -0.006 0.000 0.770 219 A CB 0.046 19.008 19.000 -0.063 0.000 1.008 219 A HN 0.286 nan 8.150 nan 0.000 0.497 220 D N 0.364 120.738 120.400 -0.044 0.000 2.333 220 D HA 0.072 4.713 4.640 0.002 0.000 0.208 220 D C 0.145 176.388 176.300 -0.096 0.000 0.984 220 D CA 1.181 55.153 54.000 -0.047 0.000 0.873 220 D CB 0.291 41.070 40.800 -0.035 0.000 0.935 220 D HN 0.516 nan 8.370 nan 0.000 0.521 221 K N 0.328 120.643 120.400 -0.142 0.000 2.426 221 K HA 0.291 4.612 4.320 0.002 0.000 0.251 221 K C -1.994 174.432 176.600 -0.290 0.000 0.941 221 K CA -1.461 54.699 56.287 -0.212 0.000 0.808 221 K CB 2.546 34.941 32.500 -0.175 0.000 1.265 221 K HN -0.286 nan 8.250 nan 0.000 0.432 222 P HA -0.015 nan 4.420 nan 0.000 0.241 222 P C -0.619 176.264 177.300 -0.695 0.000 1.191 222 P CA 0.757 63.540 63.100 -0.529 0.000 0.771 222 P CB 0.355 31.669 31.700 -0.644 0.000 0.929 223 H N -0.391 118.535 119.070 -0.241 0.000 2.840 223 H HA 0.339 4.896 4.556 0.002 0.000 0.340 223 H C -2.683 172.562 175.328 -0.138 0.000 1.004 223 H CA -2.312 53.619 56.048 -0.195 0.000 1.288 223 H CB 1.844 31.459 29.762 -0.246 0.000 1.607 223 H HN -0.041 nan 8.280 nan 0.000 0.522 224 P HA 0.066 nan 4.420 nan 0.000 0.275 224 P C -0.223 177.122 177.300 0.075 0.000 1.227 224 P CA -0.558 62.566 63.100 0.040 0.000 0.781 224 P CB 0.962 32.684 31.700 0.036 0.000 0.906 225 Q N 2.187 122.045 119.800 0.097 0.000 2.456 225 Q HA 0.217 4.558 4.340 0.002 0.000 0.234 225 Q C -0.131 175.939 176.000 0.116 0.000 1.061 225 Q CA 0.029 55.903 55.803 0.119 0.000 0.896 225 Q CB 0.559 29.383 28.738 0.143 0.000 1.233 225 Q HN 0.497 nan 8.270 nan 0.000 0.506 226 E N 1.375 121.657 120.200 0.136 0.000 2.313 226 E HA 0.132 4.484 4.350 0.002 0.000 0.272 226 E C -0.056 176.648 176.600 0.173 0.000 1.038 226 E CA -0.655 55.832 56.400 0.146 0.000 0.863 226 E CB 1.371 31.178 29.700 0.179 0.000 1.060 226 E HN 0.294 nan 8.360 nan 0.000 0.402 227 E N 1.916 122.210 120.200 0.158 0.000 2.437 227 E HA -0.127 4.225 4.350 0.002 0.000 0.263 227 E C 0.372 177.134 176.600 0.270 0.000 1.030 227 E CA 0.238 56.773 56.400 0.226 0.000 0.934 227 E CB 0.407 30.214 29.700 0.179 0.000 0.943 227 E HN 0.604 nan 8.360 nan 0.000 0.444 228 Y N 3.679 124.061 120.300 0.136 0.000 2.352 228 Y HA -0.084 4.467 4.550 0.002 0.000 0.292 228 Y C 1.581 177.584 175.900 0.172 0.000 1.136 228 Y CA 1.029 59.220 58.100 0.151 0.000 1.227 228 Y CB -0.310 38.215 38.460 0.109 0.000 0.991 228 Y HN 0.430 nan 8.280 nan 0.000 0.545 229 L N -0.084 120.917 121.223 -0.371 0.000 2.202 229 L HA -0.042 4.300 4.340 0.002 0.000 0.205 229 L C 1.945 178.782 176.870 -0.055 0.000 1.083 229 L CA 0.844 55.492 54.840 -0.320 0.000 0.790 229 L CB -0.382 41.443 42.059 -0.390 0.000 0.942 229 L HN 0.094 nan 8.230 nan 0.000 0.452 230 D N -0.415 119.979 120.400 -0.009 0.000 2.123 230 D HA -0.234 4.407 4.640 0.002 0.000 0.196 230 D C 2.162 178.518 176.300 0.094 0.000 0.992 230 D CA 1.380 55.408 54.000 0.047 0.000 0.833 230 D CB -0.346 40.480 40.800 0.043 0.000 0.954 230 D HN 0.344 nan 8.370 nan 0.000 0.455 231 C N 0.466 119.831 119.300 0.110 0.000 2.432 231 C HA -0.084 4.377 4.460 0.002 0.000 0.277 231 C C 2.662 177.692 174.990 0.066 0.000 1.249 231 C CA 0.375 59.475 59.018 0.137 0.000 1.725 231 C CB -1.160 26.717 27.740 0.229 0.000 2.028 231 C HN 0.271 nan 8.230 nan 0.000 0.477 232 L N 0.696 121.952 121.223 0.054 0.000 2.093 232 L HA -0.036 4.306 4.340 0.002 0.000 0.208 232 L C 2.235 179.049 176.870 -0.093 0.000 1.085 232 L CA 2.187 56.986 54.840 -0.068 0.000 0.755 232 L CB -1.127 40.870 42.059 -0.102 0.000 0.904 232 L HN 0.740 nan 8.230 nan 0.000 0.435 233 W N 0.298 121.484 121.300 -0.191 0.000 2.388 233 W HA -0.191 4.470 4.660 0.002 0.000 0.294 233 W C 2.049 178.450 176.519 -0.197 0.000 1.212 233 W CA 1.721 58.952 57.345 -0.190 0.000 1.271 233 W CB -0.152 29.218 29.460 -0.150 0.000 1.126 233 W HN 0.352 nan 8.180 nan 0.000 0.535 234 A N 0.870 123.558 122.820 -0.219 0.000 1.930 234 A HA -0.243 4.078 4.320 0.002 0.000 0.217 234 A C 1.931 179.263 177.584 -0.419 0.000 1.175 234 A CA 1.764 53.536 52.037 -0.441 0.000 0.627 234 A CB -0.870 17.686 19.000 -0.739 0.000 0.815 234 A HN 0.520 nan 8.150 nan 0.000 0.443 235 Q N -0.539 119.086 119.800 -0.293 0.000 2.084 235 Q HA -0.116 4.226 4.340 0.002 0.000 0.202 235 Q C 1.962 177.778 176.000 -0.306 0.000 0.978 235 Q CA 1.297 56.974 55.803 -0.209 0.000 0.844 235 Q CB -0.270 28.397 28.738 -0.118 0.000 0.898 235 Q HN 0.581 nan 8.270 nan 0.000 0.426 236 I N 0.965 121.309 120.570 -0.377 0.000 2.226 236 I HA -0.240 3.932 4.170 0.002 0.000 0.245 236 I C 2.257 178.037 176.117 -0.561 0.000 1.100 236 I CA 1.403 62.451 61.300 -0.420 0.000 1.374 236 I CB -1.162 36.607 38.000 -0.385 0.000 1.057 236 I HN 0.302 nan 8.210 nan 0.000 0.413 237 Q N 0.472 119.877 119.800 -0.659 0.000 2.167 237 Q HA -0.183 4.158 4.340 0.002 0.000 0.202 237 Q C 2.194 177.903 176.000 -0.485 0.000 0.970 237 Q CA 0.953 56.379 55.803 -0.628 0.000 0.855 237 Q CB -0.255 28.080 28.738 -0.672 0.000 0.911 237 Q HN 0.413 nan 8.270 nan 0.000 0.438 238 K N 1.039 121.196 120.400 -0.404 0.000 2.155 238 K HA -0.094 4.227 4.320 0.002 0.000 0.203 238 K C 2.004 178.373 176.600 -0.384 0.000 1.052 238 K CA 0.369 56.469 56.287 -0.312 0.000 0.948 238 K CB -0.207 32.175 32.500 -0.196 0.000 0.728 238 K HN 0.156 nan 8.250 nan 0.000 0.448 239 L N 2.107 123.047 121.223 -0.472 0.000 2.046 239 L HA -0.129 4.213 4.340 0.002 0.000 0.208 239 L C 2.413 178.679 176.870 -1.006 0.000 1.077 239 L CA 1.903 56.391 54.840 -0.586 0.000 0.747 239 L CB -0.552 41.190 42.059 -0.528 0.000 0.896 239 L HN 0.121 nan 8.230 nan 0.000 0.432 240 K N -0.511 119.136 120.400 -1.254 0.000 2.057 240 K HA -0.238 4.084 4.320 0.002 0.000 0.206 240 K C 2.309 178.422 176.600 -0.812 0.000 1.050 240 K CA 1.525 56.919 56.287 -1.489 0.000 0.935 240 K CB -0.134 31.735 32.500 -1.052 0.000 0.715 240 K HN 0.266 nan 8.250 nan 0.000 0.439 241 K N 0.358 120.439 120.400 -0.531 0.000 2.209 241 K HA -0.130 4.192 4.320 0.002 0.000 0.204 241 K C 0.406 176.838 176.600 -0.281 0.000 1.048 241 K CA 1.582 57.675 56.287 -0.324 0.000 0.940 241 K CB 0.121 32.475 32.500 -0.244 0.000 0.729 241 K HN 0.140 nan 8.250 nan 0.000 0.451 242 D N 0.529 120.728 120.400 -0.335 0.000 2.336 242 D HA 0.049 4.690 4.640 0.002 0.000 0.228 242 D C -0.368 175.806 176.300 -0.210 0.000 1.120 242 D CA 0.145 54.005 54.000 -0.233 0.000 0.839 242 D CB 0.178 40.853 40.800 -0.209 0.000 0.932 242 D HN 0.133 nan 8.370 nan 0.000 0.509 243 R N -1.871 118.468 120.500 -0.269 0.000 3.651 243 R HA -0.226 4.115 4.340 0.002 0.000 0.292 243 R C -0.436 175.899 176.300 0.058 0.000 1.161 243 R CA 0.387 56.438 56.100 -0.082 0.000 0.787 243 R CB -2.541 27.765 30.300 0.008 0.000 1.249 243 R HN 0.286 nan 8.270 nan 0.000 0.476 244 W N -1.694 119.519 121.300 -0.145 0.000 4.141 244 W HA -0.295 4.366 4.660 0.002 0.000 0.336 244 W C -0.029 176.440 176.519 -0.083 0.000 1.258 244 W CA 0.899 58.167 57.345 -0.128 0.000 0.747 244 W CB -1.941 27.448 29.460 -0.118 0.000 2.338 244 W HN 0.372 nan 8.180 nan 0.000 1.410 245 Q N 0.747 120.567 119.800 0.034 0.000 2.303 245 Q HA 0.401 4.742 4.340 0.002 0.000 0.257 245 Q C 0.408 176.390 176.000 -0.030 0.000 0.941 245 Q CA -0.421 55.391 55.803 0.014 0.000 0.931 245 Q CB 1.113 29.850 28.738 -0.003 0.000 1.215 245 Q HN 0.222 nan 8.270 nan 0.000 0.437 246 E N 1.239 121.426 120.200 -0.022 0.000 2.277 246 E HA 0.367 4.718 4.350 0.002 0.000 0.266 246 E C -0.487 176.096 176.600 -0.027 0.000 0.901 246 E CA -1.007 55.369 56.400 -0.039 0.000 0.782 246 E CB 1.015 30.680 29.700 -0.058 0.000 1.228 246 E HN 0.484 nan 8.360 nan 0.000 0.424 247 R N 0.483 120.977 120.500 -0.010 0.000 2.507 247 R HA 0.257 4.598 4.340 0.002 0.000 0.298 247 R C 0.302 176.622 176.300 0.033 0.000 0.999 247 R CA -0.057 56.042 56.100 -0.002 0.000 1.082 247 R CB -0.236 30.061 30.300 -0.004 0.000 1.246 247 R HN 0.694 nan 8.270 nan 0.000 0.553 248 H N 0.710 119.735 119.070 -0.076 0.000 2.408 248 H HA 0.348 4.906 4.556 0.002 0.000 0.271 248 H C 0.368 175.643 175.328 -0.089 0.000 0.957 248 H CA -0.079 55.925 56.048 -0.074 0.000 1.170 248 H CB 0.404 30.132 29.762 -0.057 0.000 1.458 248 H HN -0.016 nan 8.280 nan 0.000 0.491 249 I N 2.696 123.107 120.570 -0.266 0.000 2.775 249 I HA -0.051 4.121 4.170 0.002 0.000 0.290 249 I C -0.176 175.781 176.117 -0.266 0.000 1.203 249 I CA 0.416 61.537 61.300 -0.299 0.000 1.433 249 I CB 0.568 38.424 38.000 -0.240 0.000 1.354 249 I HN 0.208 nan 8.210 nan 0.000 0.579 250 L N 7.591 128.664 121.223 -0.250 0.000 2.292 250 L HA 0.442 4.784 4.340 0.002 0.000 0.284 250 L C 0.114 176.865 176.870 -0.198 0.000 1.065 250 L CA -0.336 54.374 54.840 -0.216 0.000 0.806 250 L CB 0.678 42.609 42.059 -0.213 0.000 1.175 250 L HN 0.556 nan 8.230 nan 0.000 0.431 251 R N 3.660 123.979 120.500 -0.303 0.000 2.547 251 R HA 0.231 4.572 4.340 0.002 0.000 0.280 251 R C -2.038 173.894 176.300 -0.613 0.000 1.630 251 R CA -1.451 54.267 56.100 -0.637 0.000 1.470 251 R CB 1.076 30.858 30.300 -0.864 0.000 1.178 251 R HN 0.333 nan 8.270 nan 0.000 0.591 252 P HA -0.200 nan 4.420 nan 0.000 0.221 252 P C 0.644 177.990 177.300 0.078 0.000 1.145 252 P CA 1.132 64.183 63.100 -0.081 0.000 0.795 252 P CB 0.006 31.724 31.700 0.031 0.000 0.775 253 Y N -1.548 118.864 120.300 0.186 0.000 2.403 253 Y HA -0.075 4.476 4.550 0.002 0.000 0.291 253 Y C 1.907 177.940 175.900 0.221 0.000 1.143 253 Y CA 0.368 58.618 58.100 0.249 0.000 1.257 253 Y CB -2.026 36.527 38.460 0.154 0.000 0.984 253 Y HN -0.128 nan 8.280 nan 0.000 0.550 254 L N 0.455 121.727 121.223 0.081 0.000 2.265 254 L HA -0.131 4.211 4.340 0.002 0.000 0.215 254 L C 2.539 179.426 176.870 0.028 0.000 1.117 254 L CA 0.969 55.861 54.840 0.087 0.000 0.782 254 L CB -0.574 41.466 42.059 -0.032 0.000 0.914 254 L HN 0.472 nan 8.230 nan 0.000 0.441 255 A N -1.284 121.513 122.820 -0.039 0.000 2.208 255 A HA 0.041 4.362 4.320 0.002 0.000 0.209 255 A C 1.164 178.475 177.584 -0.455 0.000 1.161 255 A CA 0.407 52.284 52.037 -0.267 0.000 0.782 255 A CB -0.288 18.466 19.000 -0.410 0.000 0.816 255 A HN 0.361 nan 8.150 nan 0.000 0.477 256 F N -0.833 119.149 119.950 0.052 0.000 2.772 256 F HA 0.171 4.699 4.527 0.002 0.000 0.302 256 F C 1.272 177.098 175.800 0.044 0.000 1.136 256 F CA -0.509 57.520 58.000 0.048 0.000 1.322 256 F CB 0.105 39.142 39.000 0.063 0.000 0.967 256 F HN 0.226 nan 8.300 nan 0.000 0.513 257 D N 0.165 120.645 120.400 0.133 0.000 2.157 257 D HA -0.223 4.419 4.640 0.002 0.000 0.191 257 D C 2.278 178.605 176.300 0.045 0.000 1.004 257 D CA 2.179 56.236 54.000 0.096 0.000 0.854 257 D CB 0.243 41.079 40.800 0.061 0.000 0.936 257 D HN 0.106 nan 8.370 nan 0.000 0.446 258 S N -1.204 114.520 115.700 0.039 0.000 2.356 258 S HA -0.124 4.348 4.470 0.002 0.000 0.223 258 S C 1.870 176.485 174.600 0.025 0.000 1.032 258 S CA 1.027 59.240 58.200 0.021 0.000 1.005 258 S CB -0.204 63.007 63.200 0.018 0.000 0.867 258 S HN 0.253 nan 8.310 nan 0.000 0.449 259 I N 1.048 121.668 120.570 0.082 0.000 2.233 259 I HA -0.064 4.107 4.170 0.002 0.000 0.243 259 I C 1.835 177.957 176.117 0.009 0.000 1.093 259 I CA 0.874 62.218 61.300 0.074 0.000 1.380 259 I CB -0.583 37.509 38.000 0.154 0.000 1.067 259 I HN 0.196 nan 8.210 nan 0.000 0.413 260 L N -0.430 120.794 121.223 0.002 0.000 2.141 260 L HA -0.163 4.179 4.340 0.002 0.000 0.209 260 L C 2.388 178.972 176.870 -0.476 0.000 1.094 260 L CA 1.277 56.046 54.840 -0.119 0.000 0.763 260 L CB -1.195 40.873 42.059 0.014 0.000 0.908 260 L HN 0.334 nan 8.230 nan 0.000 0.437 261 C N -0.983 118.070 119.300 -0.411 0.000 2.432 261 C HA -0.094 4.368 4.460 0.002 0.000 0.282 261 C C 2.715 177.585 174.990 -0.199 0.000 1.388 261 C CA 0.346 59.114 59.018 -0.416 0.000 1.777 261 C CB -0.459 27.177 27.740 -0.174 0.000 1.882 261 C HN 0.506 nan 8.230 nan 0.000 0.520 262 E N 1.218 121.346 120.200 -0.120 0.000 2.152 262 E HA 0.105 4.457 4.350 0.002 0.000 0.192 262 E C 1.132 177.710 176.600 -0.036 0.000 0.983 262 E CA 0.654 57.021 56.400 -0.054 0.000 0.818 262 E CB -0.124 29.562 29.700 -0.024 0.000 0.758 262 E HN 0.603 nan 8.360 nan 0.000 0.467 263 A N 0.083 122.883 122.820 -0.033 0.000 2.346 263 A HA 0.391 4.712 4.320 0.002 0.000 0.252 263 A C -0.400 177.226 177.584 0.070 0.000 1.089 263 A CA -0.212 51.850 52.037 0.042 0.000 0.797 263 A CB 0.278 19.328 19.000 0.083 0.000 1.047 263 A HN 0.276 nan 8.150 nan 0.000 0.494 264 L N 0.907 122.199 121.223 0.115 0.000 2.325 264 L HA 0.322 4.663 4.340 0.002 0.000 0.278 264 L C 0.303 177.311 176.870 0.229 0.000 1.023 264 L CA -0.452 54.447 54.840 0.099 0.000 0.811 264 L CB 1.728 43.708 42.059 -0.132 0.000 1.249 264 L HN 0.860 nan 8.230 nan 0.000 0.431 265 Q N 1.852 121.741 119.800 0.148 0.000 2.318 265 Q HA 0.384 4.725 4.340 0.002 0.000 0.222 265 Q C -0.980 175.016 176.000 -0.008 0.000 1.003 265 Q CA -0.575 55.304 55.803 0.126 0.000 0.936 265 Q CB 1.123 29.926 28.738 0.109 0.000 1.204 265 Q HN 0.475 nan 8.270 nan 0.000 0.524 266 H N 0.275 119.413 119.070 0.113 0.000 2.621 266 H HA 0.358 4.916 4.556 0.002 0.000 0.360 266 H C -0.710 174.642 175.328 0.040 0.000 1.163 266 H CA -0.915 55.171 56.048 0.063 0.000 1.194 266 H CB 1.468 31.204 29.762 -0.043 0.000 1.649 266 H HN 0.473 nan 8.280 nan 0.000 0.532 267 N N 1.488 120.283 118.700 0.157 0.000 2.479 267 N HA 0.214 4.955 4.740 0.002 0.000 0.285 267 N C -0.245 175.304 175.510 0.064 0.000 1.075 267 N CA -0.500 52.601 53.050 0.085 0.000 0.967 267 N CB 1.522 40.048 38.487 0.066 0.000 1.137 267 N HN 0.345 nan 8.380 nan 0.000 0.472 268 L N 3.189 124.427 121.223 0.025 0.000 2.380 268 L HA 0.321 4.663 4.340 0.002 0.000 0.273 268 L C -1.695 175.192 176.870 0.029 0.000 1.138 268 L CA -1.462 53.382 54.840 0.007 0.000 0.832 268 L CB 0.300 42.335 42.059 -0.041 0.000 1.124 268 L HN 0.302 nan 8.230 nan 0.000 0.454 269 P HA 0.143 nan 4.420 nan 0.000 0.270 269 P C -2.467 174.883 177.300 0.084 0.000 1.223 269 P CA -0.984 62.150 63.100 0.056 0.000 0.785 269 P CB -0.348 31.386 31.700 0.056 0.000 0.923 270 P HA 0.071 nan 4.420 nan 0.000 0.266 270 P C -0.966 176.430 177.300 0.159 0.000 1.195 270 P CA 0.421 63.580 63.100 0.097 0.000 0.768 270 P CB 0.064 31.797 31.700 0.054 0.000 0.838 271 F N 2.420 122.397 119.950 0.046 0.000 2.427 271 F HA 0.319 4.847 4.527 0.002 0.000 0.348 271 F C -0.217 175.637 175.800 0.090 0.000 1.125 271 F CA -0.315 57.735 58.000 0.084 0.000 0.989 271 F CB 1.056 40.145 39.000 0.149 0.000 1.165 271 F HN 0.069 nan 8.300 nan 0.000 0.442 272 T N 8.034 122.280 114.554 -0.512 0.000 2.727 272 T HA 0.270 4.621 4.350 0.002 0.000 0.298 272 T C -2.542 171.747 174.700 -0.685 0.000 0.942 272 T CA -1.207 60.644 62.100 -0.415 0.000 0.997 272 T CB 0.603 69.306 68.868 -0.274 0.000 0.917 272 T HN 0.324 nan 8.240 nan 0.000 0.487 273 P HA 0.143 nan 4.420 nan 0.000 0.263 273 P C -2.432 174.773 177.300 -0.159 0.000 1.195 273 P CA -1.114 61.881 63.100 -0.174 0.000 0.762 273 P CB -0.391 31.129 31.700 -0.300 0.000 0.799 274 P HA 0.013 nan 4.420 nan 0.000 0.260 274 P C -2.089 175.227 177.300 0.027 0.000 1.185 274 P CA -0.511 62.569 63.100 -0.033 0.000 0.763 274 P CB -0.840 30.866 31.700 0.009 0.000 0.776 275 P HA -0.024 nan 4.420 nan 0.000 0.268 275 P C -0.123 177.251 177.300 0.123 0.000 1.205 275 P CA 0.113 63.241 63.100 0.047 0.000 0.771 275 P CB 0.293 32.004 31.700 0.019 0.000 0.858 276 H N 1.510 120.628 119.070 0.080 0.000 3.094 276 H HA 0.166 4.723 4.556 0.002 0.000 0.320 276 H C 0.167 175.539 175.328 0.074 0.000 1.000 276 H CA 0.605 56.737 56.048 0.141 0.000 1.413 276 H CB 0.284 30.124 29.762 0.129 0.000 1.405 276 H HN 0.489 nan 8.280 nan 0.000 0.586 277 T N 0.580 115.046 114.554 -0.147 0.000 2.916 277 T HA 0.135 4.487 4.350 0.002 0.000 0.292 277 T C 1.027 175.638 174.700 -0.148 0.000 1.055 277 T CA -0.733 61.351 62.100 -0.028 0.000 1.009 277 T CB 1.666 70.503 68.868 -0.051 0.000 1.118 277 T HN 0.839 nan 8.240 nan 0.000 0.497 278 E N 0.053 120.270 120.200 0.029 0.000 2.233 278 E HA -0.225 4.127 4.350 0.002 0.000 0.199 278 E C 0.716 177.285 176.600 -0.051 0.000 1.004 278 E CA 1.509 57.935 56.400 0.044 0.000 0.819 278 E CB -0.025 29.704 29.700 0.050 0.000 0.738 278 E HN 0.611 nan 8.360 nan 0.000 0.478 279 D N 0.114 120.452 120.400 -0.103 0.000 2.349 279 D HA -0.008 4.633 4.640 0.002 0.000 0.215 279 D C 0.172 176.353 176.300 -0.198 0.000 1.016 279 D CA 0.250 54.178 54.000 -0.120 0.000 0.870 279 D CB 0.275 41.017 40.800 -0.097 0.000 0.917 279 D HN 0.062 nan 8.370 nan 0.000 0.524 280 S N 0.188 115.698 115.700 -0.317 0.000 2.580 280 S HA 0.419 4.891 4.470 0.002 0.000 0.274 280 S C 0.134 174.416 174.600 -0.529 0.000 1.329 280 S CA -0.729 57.196 58.200 -0.458 0.000 1.036 280 S CB 2.361 65.224 63.200 -0.562 0.000 0.919 280 S HN -0.141 nan 8.310 nan 0.000 0.515 281 V N 2.763 122.317 119.914 -0.599 0.000 2.531 281 V HA 0.446 4.567 4.120 0.002 0.000 0.301 281 V C -1.414 174.318 176.094 -0.603 0.000 1.034 281 V CA -0.714 61.323 62.300 -0.440 0.000 0.865 281 V CB 0.867 32.565 31.823 -0.208 0.000 0.995 281 V HN 0.900 nan 8.190 nan 0.000 0.424 282 Y N 3.862 124.037 120.300 -0.209 0.000 2.509 282 Y HA 0.638 5.190 4.550 0.002 0.000 0.341 282 Y C -2.036 173.709 175.900 -0.258 0.000 1.038 282 Y CA -2.940 54.918 58.100 -0.404 0.000 1.089 282 Y CB 0.944 39.132 38.460 -0.452 0.000 1.241 282 Y HN 0.452 nan 8.280 nan 0.000 0.468 283 P HA 0.042 nan 4.420 nan 0.000 0.266 283 P C -0.530 176.697 177.300 -0.123 0.000 1.193 283 P CA 0.212 63.258 63.100 -0.090 0.000 0.770 283 P CB 0.481 32.153 31.700 -0.047 0.000 0.836 284 M N 4.022 123.514 119.600 -0.179 0.000 2.240 284 M HA 0.222 4.704 4.480 0.002 0.000 0.333 284 M C -1.732 174.368 176.300 -0.332 0.000 1.110 284 M CA -1.462 53.694 55.300 -0.241 0.000 1.173 284 M CB 0.070 32.513 32.600 -0.262 0.000 1.458 284 M HN 0.267 nan 8.290 nan 0.000 0.458 285 P HA 0.221 nan 4.420 nan 0.000 0.272 285 P C -1.229 175.776 177.300 -0.492 0.000 1.240 285 P CA 0.001 62.809 63.100 -0.486 0.000 0.791 285 P CB 0.597 31.912 31.700 -0.642 0.000 0.978 286 R N -0.495 119.651 120.500 -0.589 0.000 2.867 286 R HA 0.699 5.040 4.340 0.002 0.000 0.268 286 R C -1.148 175.175 176.300 0.038 0.000 1.014 286 R CA -1.160 54.751 56.100 -0.316 0.000 0.946 286 R CB 1.929 31.950 30.300 -0.465 0.000 1.208 286 R HN 0.169 nan 8.270 nan 0.000 0.477 287 V N 2.705 122.661 119.914 0.071 0.000 2.604 287 V HA 0.355 4.477 4.120 0.002 0.000 0.305 287 V C -0.231 175.963 176.094 0.168 0.000 1.043 287 V CA -0.920 61.472 62.300 0.152 0.000 0.888 287 V CB 2.036 33.929 31.823 0.117 0.000 0.995 287 V HN 0.532 nan 8.190 nan 0.000 0.429 288 I N 4.479 125.178 120.570 0.214 0.000 2.379 288 I HA 0.168 4.339 4.170 0.002 0.000 0.290 288 I C 0.057 176.321 176.117 0.245 0.000 1.063 288 I CA 0.006 61.451 61.300 0.243 0.000 1.351 288 I CB 0.202 38.355 38.000 0.255 0.000 1.410 288 I HN 0.555 nan 8.210 nan 0.000 0.505 289 F N 7.861 127.885 119.950 0.124 0.000 2.543 289 F HA 0.324 4.852 4.527 0.002 0.000 0.375 289 F C 0.416 176.298 175.800 0.137 0.000 1.075 289 F CA 0.000 58.079 58.000 0.131 0.000 1.225 289 F CB 0.320 39.388 39.000 0.113 0.000 1.099 289 F HN 0.483 nan 8.300 nan 0.000 0.561 290 R N 7.328 127.566 120.500 -0.437 0.000 2.510 290 R HA 0.351 4.693 4.340 0.002 0.000 0.287 290 R C -0.517 175.375 176.300 -0.680 0.000 1.084 290 R CA -0.346 55.506 56.100 -0.414 0.000 0.934 290 R CB 1.090 31.263 30.300 -0.211 0.000 1.201 290 R HN 0.826 nan 8.270 nan 0.000 0.431 291 M N 0.948 120.092 119.600 -0.761 0.000 2.198 291 M HA 0.489 4.970 4.480 0.002 0.000 0.326 291 M C -1.006 174.847 176.300 -0.745 0.000 0.924 291 M CA -0.078 54.741 55.300 -0.801 0.000 1.118 291 M CB 0.827 32.953 32.600 -0.791 0.000 1.947 291 M HN 0.170 nan 8.290 nan 0.000 0.662 292 F N 2.851 122.567 119.950 -0.390 0.000 2.458 292 F HA 0.661 5.189 4.527 0.002 0.000 0.330 292 F C -0.149 175.501 175.800 -0.250 0.000 1.082 292 F CA -1.240 56.642 58.000 -0.198 0.000 0.995 292 F CB 1.234 40.220 39.000 -0.022 0.000 1.170 292 F HN 0.235 nan 8.300 nan 0.000 0.478 293 D N -0.377 120.101 120.400 0.129 0.000 2.592 293 D HA 0.179 4.821 4.640 0.002 0.000 0.263 293 D C 0.426 176.688 176.300 -0.063 0.000 1.132 293 D CA -0.721 53.313 54.000 0.057 0.000 0.996 293 D CB 0.085 40.944 40.800 0.099 0.000 1.442 293 D HN 0.467 nan 8.370 nan 0.000 0.486 294 Y N -1.293 118.982 120.300 -0.042 0.000 2.298 294 Y HA -0.127 4.424 4.550 0.002 0.000 0.287 294 Y C 2.049 177.886 175.900 -0.105 0.000 1.164 294 Y CA 1.768 59.805 58.100 -0.104 0.000 1.229 294 Y CB -1.597 36.820 38.460 -0.071 0.000 0.977 294 Y HN 0.431 nan 8.280 nan 0.000 0.538 295 T N -2.893 111.235 114.554 -0.711 0.000 2.962 295 T HA -0.144 4.207 4.350 0.002 0.000 0.270 295 T C 1.263 175.842 174.700 -0.203 0.000 1.088 295 T CA 1.203 63.027 62.100 -0.460 0.000 1.127 295 T CB -0.503 68.070 68.868 -0.492 0.000 0.883 295 T HN 0.433 nan 8.240 nan 0.000 0.493 296 D N 1.405 121.710 120.400 -0.158 0.000 2.269 296 D HA 0.004 4.646 4.640 0.002 0.000 0.208 296 D C 0.482 176.667 176.300 -0.191 0.000 0.963 296 D CA 0.928 54.893 54.000 -0.057 0.000 0.864 296 D CB -0.060 40.809 40.800 0.116 0.000 0.936 296 D HN 0.492 nan 8.370 nan 0.000 0.505 297 D N -0.463 119.726 120.400 -0.352 0.000 2.739 297 D HA 0.104 4.745 4.640 0.002 0.000 0.335 297 D C -1.742 174.447 176.300 -0.185 0.000 1.216 297 D CA -1.692 52.052 54.000 -0.426 0.000 0.808 297 D CB 0.977 41.205 40.800 -0.952 0.000 1.121 297 D HN -0.105 nan 8.370 nan 0.000 0.499 298 P HA -0.102 nan 4.420 nan 0.000 0.222 298 P C 0.794 178.085 177.300 -0.016 0.000 1.147 298 P CA 0.886 63.973 63.100 -0.021 0.000 0.790 298 P CB 0.535 32.229 31.700 -0.009 0.000 0.780 299 E N -0.388 119.797 120.200 -0.025 0.000 2.447 299 E HA 0.127 4.478 4.350 0.002 0.000 0.195 299 E C 1.334 177.925 176.600 -0.015 0.000 1.028 299 E CA -0.057 56.338 56.400 -0.009 0.000 0.876 299 E CB 0.109 29.813 29.700 0.007 0.000 0.885 299 E HN 0.233 nan 8.360 nan 0.000 0.500 300 G N 2.109 110.882 108.800 -0.044 0.000 2.531 300 G HA2 0.358 4.319 3.960 0.002 0.000 0.313 300 G HA3 0.358 4.319 3.960 0.002 0.000 0.313 300 G C -2.558 172.320 174.900 -0.036 0.000 1.238 300 G CA -1.141 43.934 45.100 -0.041 0.000 0.994 300 G HN -0.131 nan 8.290 nan 0.000 0.493 301 P HA 0.175 nan 4.420 nan 0.000 0.269 301 P C 0.033 177.320 177.300 -0.022 0.000 1.215 301 P CA -0.498 62.596 63.100 -0.010 0.000 0.780 301 P CB 0.629 32.338 31.700 0.014 0.000 0.898 302 V N 3.775 123.675 119.914 -0.023 0.000 2.557 302 V HA -0.091 4.030 4.120 0.002 0.000 0.301 302 V C 1.050 177.144 176.094 0.001 0.000 1.026 302 V CA 0.387 62.669 62.300 -0.030 0.000 1.137 302 V CB -0.396 31.370 31.823 -0.095 0.000 0.917 302 V HN 0.600 nan 8.190 nan 0.000 0.484 303 M N 8.949 128.567 119.600 0.030 0.000 2.217 303 M HA 0.270 4.752 4.480 0.002 0.000 0.352 303 M C -2.163 174.194 176.300 0.095 0.000 1.376 303 M CA -1.201 54.135 55.300 0.060 0.000 1.107 303 M CB 0.880 33.474 32.600 -0.009 0.000 1.723 303 M HN 0.388 nan 8.290 nan 0.000 0.461 304 P HA 0.117 nan 4.420 nan 0.000 0.267 304 P C -0.286 177.072 177.300 0.098 0.000 1.200 304 P CA -0.095 63.049 63.100 0.072 0.000 0.772 304 P CB 0.330 32.057 31.700 0.046 0.000 0.855 305 G N 0.705 109.546 108.800 0.069 0.000 2.606 305 G HA2 0.087 4.048 3.960 0.002 0.000 0.252 305 G HA3 0.087 4.048 3.960 0.002 0.000 0.252 305 G C 1.118 176.064 174.900 0.078 0.000 1.206 305 G CA -0.337 44.811 45.100 0.080 0.000 0.861 305 G HN 0.393 nan 8.290 nan 0.000 0.561 306 S N -0.676 115.045 115.700 0.035 0.000 2.400 306 S HA -0.124 4.347 4.470 0.002 0.000 0.232 306 S C 1.361 176.019 174.600 0.096 0.000 1.025 306 S CA 1.188 59.392 58.200 0.008 0.000 0.993 306 S CB -0.263 62.851 63.200 -0.142 0.000 0.808 306 S HN 0.668 nan 8.310 nan 0.000 0.478 307 H N 0.341 119.441 119.070 0.050 0.000 2.488 307 H HA 0.286 4.844 4.556 0.002 0.000 0.294 307 H C 0.157 175.474 175.328 -0.018 0.000 1.088 307 H CA -0.509 55.549 56.048 0.016 0.000 1.086 307 H CB 0.329 30.088 29.762 -0.005 0.000 1.569 307 H HN 0.262 nan 8.280 nan 0.000 0.548 308 S N -0.037 115.731 115.700 0.114 0.000 2.549 308 S HA 0.139 4.610 4.470 0.002 0.000 0.297 308 S C 1.493 176.122 174.600 0.048 0.000 1.115 308 S CA -0.643 57.579 58.200 0.036 0.000 1.059 308 S CB 1.904 65.115 63.200 0.018 0.000 1.046 308 S HN 0.150 nan 8.310 nan 0.000 0.506 309 V N -0.642 119.268 119.914 -0.006 0.000 2.913 309 V HA -0.022 4.099 4.120 0.002 0.000 0.260 309 V C 1.795 177.932 176.094 0.072 0.000 1.098 309 V CA 1.454 63.770 62.300 0.028 0.000 1.121 309 V CB -1.441 30.342 31.823 -0.067 0.000 0.714 309 V HN 0.822 nan 8.190 nan 0.000 0.487 310 E N 0.970 121.179 120.200 0.015 0.000 2.047 310 E HA -0.134 4.217 4.350 0.002 0.000 0.191 310 E C 2.302 178.851 176.600 -0.085 0.000 0.987 310 E CA 1.390 57.764 56.400 -0.043 0.000 0.799 310 E CB -0.385 29.284 29.700 -0.052 0.000 0.752 310 E HN 0.520 nan 8.360 nan 0.000 0.449 311 R N 0.137 120.638 120.500 0.003 0.000 2.081 311 R HA -0.125 4.216 4.340 0.002 0.000 0.235 311 R C 1.970 178.314 176.300 0.073 0.000 1.131 311 R CA 1.277 57.393 56.100 0.027 0.000 0.960 311 R CB -0.796 29.575 30.300 0.118 0.000 0.856 311 R HN 0.274 nan 8.270 nan 0.000 0.436 312 F N -0.233 119.735 119.950 0.030 0.000 2.102 312 F HA -0.153 4.375 4.527 0.002 0.000 0.298 312 F C 1.798 177.659 175.800 0.102 0.000 1.105 312 F CA 1.671 59.725 58.000 0.091 0.000 1.239 312 F CB -0.415 38.641 39.000 0.093 0.000 0.991 312 F HN -0.127 nan 8.300 nan 0.000 0.474 313 V N 1.072 121.017 119.914 0.053 0.000 2.270 313 V HA -0.305 3.816 4.120 0.002 0.000 0.245 313 V C 2.468 178.551 176.094 -0.017 0.000 1.043 313 V CA 2.136 64.452 62.300 0.028 0.000 1.014 313 V CB -0.721 31.161 31.823 0.099 0.000 0.645 313 V HN 0.393 nan 8.190 nan 0.000 0.447 314 I N 0.031 120.512 120.570 -0.148 0.000 2.113 314 I HA -0.353 3.819 4.170 0.002 0.000 0.242 314 I C 2.621 178.574 176.117 -0.272 0.000 1.057 314 I CA 2.092 63.240 61.300 -0.254 0.000 1.314 314 I CB -0.455 37.223 38.000 -0.537 0.000 1.022 314 I HN 0.427 nan 8.210 nan 0.000 0.408 315 E N 0.066 120.143 120.200 -0.206 0.000 2.072 315 E HA -0.255 4.096 4.350 0.002 0.000 0.190 315 E C 2.025 178.557 176.600 -0.113 0.000 0.982 315 E CA 1.077 57.381 56.400 -0.161 0.000 0.803 315 E CB -0.080 29.608 29.700 -0.020 0.000 0.755 315 E HN 0.374 nan 8.360 nan 0.000 0.453 316 E N 1.590 121.703 120.200 -0.145 0.000 2.070 316 E HA -0.217 4.134 4.350 0.002 0.000 0.197 316 E C 1.722 178.347 176.600 0.041 0.000 1.004 316 E CA 1.561 57.930 56.400 -0.052 0.000 0.805 316 E CB -0.115 29.434 29.700 -0.252 0.000 0.744 316 E HN 0.099 nan 8.360 nan 0.000 0.451 317 N N -0.160 118.540 118.700 0.001 0.000 2.188 317 N HA -0.096 4.646 4.740 0.002 0.000 0.184 317 N C 1.854 177.296 175.510 -0.114 0.000 1.018 317 N CA 1.070 54.129 53.050 0.015 0.000 0.858 317 N CB -0.185 38.388 38.487 0.143 0.000 0.989 317 N HN 0.271 nan 8.380 nan 0.000 0.426 318 L N 0.069 121.127 121.223 -0.275 0.000 2.109 318 L HA -0.097 4.245 4.340 0.002 0.000 0.207 318 L C 2.148 178.952 176.870 -0.109 0.000 1.086 318 L CA 0.843 55.522 54.840 -0.270 0.000 0.760 318 L CB -0.490 41.357 42.059 -0.353 0.000 0.910 318 L HN 0.250 nan 8.230 nan 0.000 0.437 319 H N -0.727 118.335 119.070 -0.014 0.000 2.387 319 H HA -0.130 4.428 4.556 0.002 0.000 0.299 319 H C 2.439 177.821 175.328 0.089 0.000 1.090 319 H CA 1.652 57.729 56.048 0.049 0.000 1.332 319 H CB -0.177 29.615 29.762 0.049 0.000 1.386 319 H HN 0.406 nan 8.280 nan 0.000 0.516 320 C N 0.349 119.761 119.300 0.187 0.000 2.457 320 C HA -0.039 4.423 4.460 0.002 0.000 0.278 320 C C 2.983 178.050 174.990 0.129 0.000 1.309 320 C CA 0.113 59.206 59.018 0.125 0.000 1.735 320 C CB -0.989 26.767 27.740 0.027 0.000 1.992 320 C HN 0.424 nan 8.230 nan 0.000 0.493 321 I N 0.845 121.492 120.570 0.129 0.000 2.208 321 I HA -0.232 3.940 4.170 0.002 0.000 0.245 321 I C 2.260 178.523 176.117 0.244 0.000 1.097 321 I CA 1.772 63.189 61.300 0.195 0.000 1.363 321 I CB -0.291 37.793 38.000 0.140 0.000 1.051 321 I HN 0.314 nan 8.210 nan 0.000 0.413 322 I N 0.481 121.173 120.570 0.204 0.000 2.252 322 I HA -0.288 3.883 4.170 0.002 0.000 0.245 322 I C 2.601 178.891 176.117 0.287 0.000 1.102 322 I CA 1.179 62.620 61.300 0.235 0.000 1.385 322 I CB -0.377 37.772 38.000 0.248 0.000 1.064 322 I HN 0.194 nan 8.210 nan 0.000 0.414 323 K N 0.967 121.553 120.400 0.309 0.000 2.103 323 K HA -0.187 4.134 4.320 0.002 0.000 0.207 323 K C 2.094 178.863 176.600 0.282 0.000 1.048 323 K CA 1.915 58.414 56.287 0.353 0.000 0.930 323 K CB -0.006 32.662 32.500 0.280 0.000 0.716 323 K HN 0.167 nan 8.250 nan 0.000 0.444 324 S N -0.311 115.438 115.700 0.082 0.000 2.428 324 S HA -0.038 4.434 4.470 0.002 0.000 0.230 324 S C 0.890 175.201 174.600 -0.482 0.000 1.014 324 S CA 0.571 58.635 58.200 -0.227 0.000 0.957 324 S CB -0.072 62.876 63.200 -0.420 0.000 0.784 324 S HN 0.451 nan 8.310 nan 0.000 0.499 325 H N -0.622 118.479 119.070 0.051 0.000 2.916 325 H HA 0.105 4.662 4.556 0.002 0.000 0.262 325 H C 1.261 176.519 175.328 -0.117 0.000 1.178 325 H CA -0.241 55.774 56.048 -0.054 0.000 1.090 325 H CB -0.183 29.571 29.762 -0.013 0.000 1.657 325 H HN 0.603 nan 8.280 nan 0.000 0.601 326 W N 2.201 123.429 121.300 -0.121 0.000 2.364 326 W HA -0.071 4.591 4.660 0.003 0.000 0.281 326 W C 0.771 177.176 176.519 -0.191 0.000 1.219 326 W CA 0.346 57.538 57.345 -0.255 0.000 1.220 326 W CB -0.558 28.499 29.460 -0.672 0.000 1.127 326 W HN -0.005 nan 8.180 nan 0.000 0.556 327 K N 1.198 121.013 120.400 -0.976 0.000 2.365 327 K HA -0.086 4.235 4.320 0.002 0.000 0.199 327 K C 0.503 176.891 176.600 -0.354 0.000 1.045 327 K CA 1.032 56.812 56.287 -0.845 0.000 0.962 327 K CB -0.073 31.850 32.500 -0.961 0.000 0.759 327 K HN 0.208 nan 8.250 nan 0.000 0.469 328 E N 1.477 121.542 120.200 -0.224 0.000 2.593 328 E HA 0.071 4.422 4.350 0.002 0.000 0.232 328 E C 0.175 176.744 176.600 -0.051 0.000 1.026 328 E CA -0.374 55.961 56.400 -0.109 0.000 0.772 328 E CB 0.865 30.519 29.700 -0.075 0.000 1.310 328 E HN 0.175 nan 8.360 nan 0.000 0.413 329 R N 2.062 122.537 120.500 -0.042 0.000 2.096 329 R HA -0.082 4.259 4.340 0.002 0.000 0.235 329 R C 1.332 177.625 176.300 -0.011 0.000 1.127 329 R CA 0.688 56.779 56.100 -0.015 0.000 0.968 329 R CB -0.237 30.059 30.300 -0.006 0.000 0.861 329 R HN 0.152 nan 8.270 nan 0.000 0.440 330 K N 0.539 120.928 120.400 -0.018 0.000 2.026 330 K HA -0.061 4.260 4.320 0.002 0.000 0.208 330 K C 2.168 178.748 176.600 -0.034 0.000 1.048 330 K CA 2.173 58.449 56.287 -0.018 0.000 0.929 330 K CB -0.187 32.303 32.500 -0.018 0.000 0.713 330 K HN 0.239 nan 8.250 nan 0.000 0.439 331 T N 0.996 115.521 114.554 -0.048 0.000 2.684 331 T HA -0.215 4.137 4.350 0.002 0.000 0.267 331 T C 2.067 176.677 174.700 -0.149 0.000 1.036 331 T CA 1.297 63.337 62.100 -0.100 0.000 1.148 331 T CB -0.579 68.240 68.868 -0.081 0.000 0.863 331 T HN 0.360 nan 8.240 nan 0.000 0.436 332 C N 1.657 120.921 119.300 -0.060 0.000 2.413 332 C HA -0.039 4.423 4.460 0.002 0.000 0.277 332 C C 3.169 178.145 174.990 -0.023 0.000 1.228 332 C CA 0.945 59.958 59.018 -0.008 0.000 1.731 332 C CB -1.474 26.302 27.740 0.060 0.000 2.042 332 C HN 0.619 nan 8.230 nan 0.000 0.468 333 A N 0.163 122.976 122.820 -0.012 0.000 1.908 333 A HA 0.034 4.355 4.320 0.002 0.000 0.218 333 A C 2.443 180.021 177.584 -0.011 0.000 1.181 333 A CA 2.468 54.504 52.037 -0.001 0.000 0.627 333 A CB -1.152 17.854 19.000 0.010 0.000 0.818 333 A HN 0.874 nan 8.150 nan 0.000 0.445 334 A N -1.185 121.614 122.820 -0.035 0.000 1.877 334 A HA -0.180 4.141 4.320 0.002 0.000 0.216 334 A C 2.116 179.677 177.584 -0.039 0.000 1.186 334 A CA 1.653 53.669 52.037 -0.036 0.000 0.620 334 A CB -0.473 18.497 19.000 -0.051 0.000 0.822 334 A HN 0.500 nan 8.150 nan 0.000 0.443 335 Q N -0.794 118.953 119.800 -0.089 0.000 2.124 335 Q HA -0.105 4.236 4.340 0.002 0.000 0.202 335 Q C 2.028 178.047 176.000 0.031 0.000 0.977 335 Q CA 0.876 56.638 55.803 -0.068 0.000 0.850 335 Q CB -0.515 28.104 28.738 -0.199 0.000 0.901 335 Q HN 0.498 nan 8.270 nan 0.000 0.429 336 L N -0.209 121.028 121.223 0.023 0.000 2.027 336 L HA -0.109 4.233 4.340 0.002 0.000 0.206 336 L C 2.385 179.307 176.870 0.086 0.000 1.074 336 L CA 1.178 56.045 54.840 0.045 0.000 0.745 336 L CB -1.197 40.873 42.059 0.018 0.000 0.898 336 L HN -0.004 nan 8.230 nan 0.000 0.433 337 V N -0.463 119.488 119.914 0.062 0.000 2.626 337 V HA -0.139 3.982 4.120 0.002 0.000 0.252 337 V C 2.144 178.289 176.094 0.085 0.000 1.067 337 V CA 1.414 63.756 62.300 0.070 0.000 1.081 337 V CB -0.540 31.308 31.823 0.042 0.000 0.686 337 V HN 0.638 nan 8.190 nan 0.000 0.468 338 S N -1.580 114.167 115.700 0.079 0.000 2.634 338 S HA 0.090 4.561 4.470 0.002 0.000 0.221 338 S C 0.441 175.101 174.600 0.101 0.000 0.952 338 S CA -0.422 57.817 58.200 0.066 0.000 0.930 338 S CB -0.620 62.597 63.200 0.029 0.000 0.780 338 S HN 0.524 nan 8.310 nan 0.000 0.498 339 Y N 4.922 125.239 120.300 0.028 0.000 2.650 339 Y HA 0.373 4.925 4.550 0.002 0.000 0.331 339 Y C -2.300 173.630 175.900 0.051 0.000 1.165 339 Y CA -2.029 56.098 58.100 0.045 0.000 1.473 339 Y CB 0.257 38.754 38.460 0.060 0.000 1.224 339 Y HN 0.231 nan 8.280 nan 0.000 0.533 340 P HA 0.717 nan 4.420 nan 0.000 0.285 340 P C -0.890 176.062 177.300 -0.581 0.000 1.285 340 P CA -0.560 62.301 63.100 -0.399 0.000 0.854 340 P CB 2.308 33.848 31.700 -0.266 0.000 1.180 341 G N -0.512 108.092 108.800 -0.327 0.000 2.623 341 G HA2 0.264 4.226 3.960 0.002 0.000 0.290 341 G HA3 0.264 4.226 3.960 0.002 0.000 0.290 341 G C 0.044 174.807 174.900 -0.228 0.000 1.437 341 G CA -0.515 44.373 45.100 -0.353 0.000 0.798 341 G HN 0.450 nan 8.290 nan 0.000 0.488 342 K N -0.707 119.541 120.400 -0.254 0.000 2.097 342 K HA 0.025 4.347 4.320 0.002 0.000 0.205 342 K C 0.355 176.913 176.600 -0.070 0.000 1.050 342 K CA 0.778 56.975 56.287 -0.151 0.000 0.938 342 K CB -0.069 32.343 32.500 -0.148 0.000 0.718 342 K HN 0.450 nan 8.250 nan 0.000 0.442 343 N N 0.532 119.223 118.700 -0.015 0.000 2.381 343 N HA 0.154 4.895 4.740 0.002 0.000 0.294 343 N C -1.249 174.284 175.510 0.038 0.000 1.216 343 N CA -0.528 52.527 53.050 0.009 0.000 0.803 343 N CB 1.697 40.193 38.487 0.015 0.000 1.372 343 N HN -0.097 nan 8.380 nan 0.000 0.500 344 K N 1.147 121.564 120.400 0.029 0.000 2.401 344 K HA 0.302 4.623 4.320 0.002 0.000 0.278 344 K C 0.049 176.691 176.600 0.070 0.000 1.018 344 K CA 0.254 56.568 56.287 0.044 0.000 0.981 344 K CB 0.369 32.885 32.500 0.027 0.000 0.933 344 K HN 0.482 nan 8.250 nan 0.000 0.477 345 I N -0.508 120.125 120.570 0.105 0.000 2.969 345 I HA 0.463 4.634 4.170 0.002 0.000 0.307 345 I C -2.511 173.708 176.117 0.170 0.000 1.149 345 I CA -2.901 58.490 61.300 0.151 0.000 1.008 345 I CB 2.415 40.526 38.000 0.184 0.000 1.232 345 I HN 0.382 nan 8.210 nan 0.000 0.435 346 P HA 0.100 nan 4.420 nan 0.000 0.244 346 P C 0.540 177.952 177.300 0.187 0.000 1.769 346 P CA -0.243 62.910 63.100 0.089 0.000 1.102 346 P CB 0.817 32.440 31.700 -0.128 0.000 1.937 347 L N 3.476 124.841 121.223 0.236 0.000 2.042 347 L HA -0.174 4.167 4.340 0.002 0.000 0.210 347 L C 1.831 178.804 176.870 0.171 0.000 1.076 347 L CA 1.958 56.959 54.840 0.268 0.000 0.749 347 L CB -1.082 41.104 42.059 0.212 0.000 0.893 347 L HN 0.089 nan 8.230 nan 0.000 0.432 348 N N -1.268 117.494 118.700 0.103 0.000 2.149 348 N HA -0.236 4.506 4.740 0.002 0.000 0.188 348 N C 1.788 177.224 175.510 -0.124 0.000 1.019 348 N CA 1.640 54.686 53.050 -0.006 0.000 0.857 348 N CB -0.409 38.048 38.487 -0.050 0.000 0.997 348 N HN 0.463 nan 8.380 nan 0.000 0.426 349 Y N 0.607 120.767 120.300 -0.233 0.000 2.220 349 Y HA -0.052 4.499 4.550 0.002 0.000 0.291 349 Y C 2.480 178.247 175.900 -0.221 0.000 1.129 349 Y CA 1.015 58.833 58.100 -0.470 0.000 1.161 349 Y CB -0.389 37.583 38.460 -0.812 0.000 0.997 349 Y HN 0.267 nan 8.280 nan 0.000 0.522 350 H N -0.613 118.535 119.070 0.130 0.000 2.357 350 H HA -0.113 4.445 4.556 0.002 0.000 0.301 350 H C 2.403 177.760 175.328 0.047 0.000 1.082 350 H CA 1.760 57.869 56.048 0.102 0.000 1.342 350 H CB -0.444 29.343 29.762 0.041 0.000 1.389 350 H HN 0.348 nan 8.280 nan 0.000 0.511 351 I N 0.198 120.841 120.570 0.122 0.000 2.179 351 I HA -0.224 3.947 4.170 0.002 0.000 0.242 351 I C 2.480 178.593 176.117 -0.006 0.000 1.088 351 I CA 0.794 62.107 61.300 0.022 0.000 1.357 351 I CB -0.143 37.863 38.000 0.011 0.000 1.051 351 I HN -0.005 nan 8.210 nan 0.000 0.409 352 V N 0.468 120.400 119.914 0.031 0.000 2.427 352 V HA -0.276 3.846 4.120 0.002 0.000 0.248 352 V C 2.411 178.601 176.094 0.161 0.000 1.051 352 V CA 1.956 64.272 62.300 0.027 0.000 1.048 352 V CB -0.588 31.305 31.823 0.117 0.000 0.666 352 V HN 0.467 nan 8.190 nan 0.000 0.456 353 E N -0.089 120.333 120.200 0.370 0.000 2.106 353 E HA -0.167 4.184 4.350 0.002 0.000 0.192 353 E C 2.211 178.947 176.600 0.228 0.000 0.984 353 E CA 1.289 57.957 56.400 0.448 0.000 0.806 353 E CB 0.045 30.081 29.700 0.561 0.000 0.750 353 E HN 0.394 nan 8.360 nan 0.000 0.458 354 V N 1.091 121.033 119.914 0.046 0.000 2.358 354 V HA -0.235 3.886 4.120 0.002 0.000 0.246 354 V C 2.265 178.225 176.094 -0.223 0.000 1.047 354 V CA 1.395 63.597 62.300 -0.163 0.000 1.035 354 V CB -0.298 31.324 31.823 -0.336 0.000 0.658 354 V HN 0.348 nan 8.190 nan 0.000 0.452 355 I N -0.873 119.544 120.570 -0.254 0.000 2.163 355 I HA -0.269 3.903 4.170 0.002 0.000 0.243 355 I C 2.296 177.993 176.117 -0.700 0.000 1.085 355 I CA 1.868 62.931 61.300 -0.393 0.000 1.347 355 I CB -0.436 37.311 38.000 -0.422 0.000 1.044 355 I HN 0.239 nan 8.210 nan 0.000 0.408 356 F N 0.914 120.516 119.950 -0.581 0.000 2.234 356 F HA -0.100 4.429 4.527 0.003 0.000 0.299 356 F C 2.591 177.589 175.800 -1.337 0.000 1.087 356 F CA 0.953 58.365 58.000 -0.979 0.000 1.340 356 F CB -1.081 37.562 39.000 -0.595 0.000 1.031 356 F HN -0.005 nan 8.300 nan 0.000 0.500 357 A N 0.026 122.269 122.820 -0.962 0.000 1.917 357 A HA -0.223 4.098 4.320 0.002 0.000 0.219 357 A C 2.227 179.515 177.584 -0.494 0.000 1.182 357 A CA 1.976 53.520 52.037 -0.823 0.000 0.633 357 A CB -0.708 18.269 19.000 -0.037 0.000 0.819 357 A HN 0.418 nan 8.150 nan 0.000 0.448 358 E N -0.917 119.034 120.200 -0.414 0.000 2.047 358 E HA -0.163 4.189 4.350 0.002 0.000 0.191 358 E C 2.019 178.183 176.600 -0.727 0.000 0.987 358 E CA 1.214 57.344 56.400 -0.449 0.000 0.799 358 E CB -0.316 29.191 29.700 -0.322 0.000 0.752 358 E HN 0.504 nan 8.360 nan 0.000 0.449 359 L N 0.384 120.950 121.223 -1.096 0.000 2.083 359 L HA -0.146 4.195 4.340 0.002 0.000 0.209 359 L C 1.662 178.187 176.870 -0.575 0.000 1.083 359 L CA 1.600 55.857 54.840 -0.972 0.000 0.752 359 L CB -0.199 41.210 42.059 -1.083 0.000 0.899 359 L HN -0.009 nan 8.230 nan 0.000 0.433 360 F N -0.658 119.049 119.950 -0.404 0.000 2.765 360 F HA 0.248 4.777 4.527 0.003 0.000 0.302 360 F C 1.272 176.907 175.800 -0.276 0.000 1.111 360 F CA -0.597 57.204 58.000 -0.331 0.000 1.359 360 F CB -1.120 37.630 39.000 -0.415 0.000 1.097 360 F HN 0.178 nan 8.300 nan 0.000 0.577 361 Q N 1.787 121.501 119.800 -0.142 0.000 2.330 361 Q HA 0.207 4.548 4.340 0.002 0.000 0.279 361 Q C -0.789 175.159 176.000 -0.087 0.000 1.024 361 Q CA 0.169 55.901 55.803 -0.119 0.000 0.900 361 Q CB 0.593 29.229 28.738 -0.169 0.000 1.221 361 Q HN 0.302 nan 8.270 nan 0.000 0.396 362 L N 6.293 127.470 121.223 -0.077 0.000 2.317 362 L HA 0.323 4.665 4.340 0.002 0.000 0.281 362 L C -1.757 175.056 176.870 -0.094 0.000 1.024 362 L CA -2.114 52.682 54.840 -0.072 0.000 0.810 362 L CB 1.425 43.446 42.059 -0.063 0.000 1.240 362 L HN 0.648 nan 8.230 nan 0.000 0.427 363 P HA 0.014 nan 4.420 nan 0.000 0.218 363 P C -0.214 177.063 177.300 -0.038 0.000 1.152 363 P CA 0.632 63.701 63.100 -0.051 0.000 0.826 363 P CB 0.436 32.111 31.700 -0.040 0.000 0.790 364 A N -1.618 121.171 122.820 -0.052 0.000 2.572 364 A HA 0.653 4.975 4.320 0.002 0.000 0.295 364 A C -2.979 174.548 177.584 -0.095 0.000 1.072 364 A CA -1.797 50.208 52.037 -0.054 0.000 0.691 364 A CB 0.554 19.538 19.000 -0.027 0.000 1.291 364 A HN -0.209 nan 8.150 nan 0.000 0.404 365 P HA 0.264 nan 4.420 nan 0.000 0.270 365 P C -1.978 175.221 177.300 -0.169 0.000 1.223 365 P CA -0.924 62.099 63.100 -0.129 0.000 0.785 365 P CB 0.179 31.854 31.700 -0.042 0.000 0.923 366 P HA -0.091 nan 4.420 nan 0.000 0.220 366 P C -0.305 176.457 177.300 -0.896 0.000 1.148 366 P CA 1.536 64.287 63.100 -0.581 0.000 0.803 366 P CB 0.009 31.283 31.700 -0.710 0.000 0.782 367 H N -3.324 115.667 119.070 -0.132 0.000 2.907 367 H HA 0.383 4.941 4.556 0.002 0.000 0.361 367 H C -0.227 175.031 175.328 -0.116 0.000 1.194 367 H CA -1.307 54.526 56.048 -0.359 0.000 1.152 367 H CB 0.875 30.213 29.762 -0.707 0.000 1.867 367 H HN -0.200 nan 8.280 nan 0.000 0.561 368 I N 1.998 122.563 120.570 -0.007 0.000 2.906 368 I HA -0.221 3.950 4.170 0.002 0.000 0.301 368 I C 0.194 176.390 176.117 0.132 0.000 1.221 368 I CA 0.224 61.568 61.300 0.073 0.000 1.435 368 I CB 0.395 38.452 38.000 0.095 0.000 1.345 368 I HN 0.656 nan 8.210 nan 0.000 0.558 369 D N 5.217 125.743 120.400 0.210 0.000 2.149 369 D HA -0.223 4.418 4.640 0.002 0.000 0.194 369 D C 1.914 178.411 176.300 0.329 0.000 1.001 369 D CA 1.405 55.599 54.000 0.325 0.000 0.849 369 D CB -0.158 40.791 40.800 0.248 0.000 0.939 369 D HN 0.496 nan 8.370 nan 0.000 0.449 370 V N 0.640 120.696 119.914 0.236 0.000 2.720 370 V HA -0.186 3.936 4.120 0.002 0.000 0.256 370 V C 1.943 178.142 176.094 0.176 0.000 1.082 370 V CA 1.163 63.617 62.300 0.257 0.000 1.101 370 V CB -0.247 31.713 31.823 0.228 0.000 0.693 370 V HN 0.221 nan 8.190 nan 0.000 0.479 371 M N -0.511 119.108 119.600 0.031 0.000 2.117 371 M HA -0.191 4.290 4.480 0.002 0.000 0.262 371 M C 2.139 178.353 176.300 -0.145 0.000 1.065 371 M CA 2.195 57.439 55.300 -0.093 0.000 1.114 371 M CB -0.835 31.638 32.600 -0.213 0.000 1.361 371 M HN 0.535 nan 8.290 nan 0.000 0.408 372 Y N 0.593 120.945 120.300 0.087 0.000 2.256 372 Y HA -0.168 4.384 4.550 0.003 0.000 0.288 372 Y C 2.561 178.499 175.900 0.063 0.000 1.155 372 Y CA 2.024 60.123 58.100 -0.001 0.000 1.203 372 Y CB -1.531 36.854 38.460 -0.125 0.000 0.980 372 Y HN 0.291 nan 8.280 nan 0.000 0.530 373 T N -0.963 113.793 114.554 0.337 0.000 2.737 373 T HA -0.187 4.164 4.350 0.002 0.000 0.265 373 T C 2.122 176.958 174.700 0.228 0.000 1.038 373 T CA 2.158 64.504 62.100 0.410 0.000 1.144 373 T CB -0.652 68.425 68.868 0.349 0.000 0.866 373 T HN 0.610 nan 8.240 nan 0.000 0.434 374 T N 1.081 115.710 114.554 0.125 0.000 2.904 374 T HA 0.112 4.464 4.350 0.002 0.000 0.267 374 T C 2.010 176.756 174.700 0.077 0.000 1.059 374 T CA 0.375 62.516 62.100 0.069 0.000 1.137 374 T CB -0.590 68.308 68.868 0.050 0.000 0.879 374 T HN 0.201 nan 8.240 nan 0.000 0.467 375 L N 0.272 121.536 121.223 0.068 0.000 2.012 375 L HA 0.004 4.345 4.340 0.002 0.000 0.210 375 L C 2.642 179.561 176.870 0.082 0.000 1.073 375 L CA 1.719 56.590 54.840 0.053 0.000 0.748 375 L CB -0.446 41.629 42.059 0.028 0.000 0.891 375 L HN 0.345 nan 8.230 nan 0.000 0.431 376 L N -0.552 120.743 121.223 0.120 0.000 2.141 376 L HA -0.235 4.106 4.340 0.002 0.000 0.209 376 L C 2.448 179.456 176.870 0.229 0.000 1.094 376 L CA 0.941 55.866 54.840 0.141 0.000 0.763 376 L CB -0.222 41.935 42.059 0.165 0.000 0.908 376 L HN 0.276 nan 8.230 nan 0.000 0.437 377 I N -0.741 119.984 120.570 0.258 0.000 2.252 377 I HA -0.222 3.949 4.170 0.002 0.000 0.245 377 I C 2.503 178.716 176.117 0.161 0.000 1.102 377 I CA 0.910 62.361 61.300 0.252 0.000 1.385 377 I CB -0.233 37.850 38.000 0.140 0.000 1.064 377 I HN 0.245 nan 8.210 nan 0.000 0.414 378 E N 0.790 121.052 120.200 0.102 0.000 2.110 378 E HA -0.165 4.187 4.350 0.002 0.000 0.193 378 E C 2.330 178.971 176.600 0.068 0.000 0.988 378 E CA 1.166 57.606 56.400 0.067 0.000 0.804 378 E CB -0.256 29.469 29.700 0.041 0.000 0.745 378 E HN 0.487 nan 8.360 nan 0.000 0.458 379 L N -0.057 121.210 121.223 0.073 0.000 2.093 379 L HA -0.178 4.164 4.340 0.002 0.000 0.208 379 L C 2.641 179.553 176.870 0.069 0.000 1.085 379 L CA 0.768 55.643 54.840 0.058 0.000 0.755 379 L CB -0.314 41.771 42.059 0.044 0.000 0.904 379 L HN 0.156 nan 8.230 nan 0.000 0.435 380 C N -0.111 119.253 119.300 0.107 0.000 2.425 380 C HA -0.141 4.320 4.460 0.002 0.000 0.277 380 C C 2.750 177.793 174.990 0.089 0.000 1.280 380 C CA 0.669 59.749 59.018 0.104 0.000 1.744 380 C CB -0.720 27.112 27.740 0.154 0.000 1.989 380 C HN 0.438 nan 8.230 nan 0.000 0.491 381 K N 0.200 120.659 120.400 0.098 0.000 2.097 381 K HA -0.103 4.219 4.320 0.002 0.000 0.205 381 K C 1.880 178.509 176.600 0.048 0.000 1.050 381 K CA 0.906 57.237 56.287 0.073 0.000 0.938 381 K CB -0.333 32.205 32.500 0.064 0.000 0.718 381 K HN 0.270 nan 8.250 nan 0.000 0.442 382 L N 1.222 122.471 121.223 0.043 0.000 2.056 382 L HA -0.114 4.227 4.340 0.002 0.000 0.207 382 L C 0.743 177.630 176.870 0.029 0.000 1.078 382 L CA 1.805 56.664 54.840 0.031 0.000 0.749 382 L CB -0.019 42.056 42.059 0.027 0.000 0.901 382 L HN 0.112 nan 8.230 nan 0.000 0.433 383 Q N 0.125 119.944 119.800 0.031 0.000 2.769 383 Q HA 0.244 4.585 4.340 0.002 0.000 0.375 383 Q C -1.773 174.241 176.000 0.024 0.000 0.996 383 Q CA -1.446 54.373 55.803 0.026 0.000 1.042 383 Q CB 0.738 29.490 28.738 0.024 0.000 1.329 383 Q HN 0.352 nan 8.270 nan 0.000 0.427 384 P HA -0.072 nan 4.420 nan 0.000 0.225 384 P C 1.113 178.421 177.300 0.013 0.000 1.156 384 P CA 0.838 63.951 63.100 0.022 0.000 0.787 384 P CB 0.284 31.999 31.700 0.026 0.000 0.802 385 G N 0.045 108.854 108.800 0.014 0.000 2.712 385 G HA2 -0.052 3.909 3.960 0.002 0.000 0.212 385 G HA3 -0.052 3.909 3.960 0.002 0.000 0.212 385 G C 1.312 176.218 174.900 0.011 0.000 1.142 385 G CA 0.922 46.028 45.100 0.011 0.000 0.789 385 G HN 0.467 nan 8.290 nan 0.000 0.535 386 S N -1.464 114.243 115.700 0.011 0.000 2.658 386 S HA 0.200 4.671 4.470 0.002 0.000 0.277 386 S C 1.645 176.239 174.600 -0.009 0.000 1.078 386 S CA -0.048 58.157 58.200 0.009 0.000 1.124 386 S CB -0.133 63.078 63.200 0.019 0.000 1.016 386 S HN 0.063 nan 8.310 nan 0.000 0.543 387 L N 2.917 124.136 121.223 -0.007 0.000 2.131 387 L HA 0.360 4.702 4.340 0.002 0.000 0.206 387 L C -1.406 175.458 176.870 -0.011 0.000 1.087 387 L CA 1.301 56.127 54.840 -0.022 0.000 0.767 387 L CB -1.899 40.159 42.059 -0.000 0.000 0.917 387 L HN 0.113 nan 8.230 nan 0.000 0.441 388 P HA -0.155 nan 4.420 nan 0.000 0.216 388 P C 1.375 178.696 177.300 0.034 0.000 1.150 388 P CA 1.364 64.476 63.100 0.019 0.000 0.837 388 P CB 0.167 31.856 31.700 -0.018 0.000 0.786 389 Q N -0.847 118.961 119.800 0.013 0.000 2.079 389 Q HA -0.089 4.252 4.340 0.002 0.000 0.200 389 Q C 2.103 178.110 176.000 0.012 0.000 0.974 389 Q CA 1.212 57.030 55.803 0.024 0.000 0.840 389 Q CB -1.408 27.339 28.738 0.015 0.000 0.898 389 Q HN 0.086 nan 8.270 nan 0.000 0.430 390 V N 0.546 120.411 119.914 -0.082 0.000 2.407 390 V HA -0.221 3.900 4.120 0.002 0.000 0.248 390 V C 2.000 178.077 176.094 -0.028 0.000 1.055 390 V CA 1.486 63.642 62.300 -0.240 0.000 1.049 390 V CB -0.507 31.004 31.823 -0.520 0.000 0.662 390 V HN 0.302 nan 8.190 nan 0.000 0.455 391 L N 0.513 121.773 121.223 0.062 0.000 2.156 391 L HA 0.068 4.409 4.340 0.002 0.000 0.208 391 L C 2.383 179.434 176.870 0.302 0.000 1.095 391 L CA 2.031 56.989 54.840 0.197 0.000 0.770 391 L CB -0.793 41.374 42.059 0.181 0.000 0.914 391 L HN 0.200 nan 8.230 nan 0.000 0.439 392 A N -0.946 122.036 122.820 0.269 0.000 1.873 392 A HA -0.260 4.061 4.320 0.002 0.000 0.215 392 A C 2.295 180.108 177.584 0.382 0.000 1.186 392 A CA 1.640 53.911 52.037 0.389 0.000 0.616 392 A CB -0.726 18.453 19.000 0.297 0.000 0.823 392 A HN 0.611 nan 8.150 nan 0.000 0.442 393 Q N -0.332 119.626 119.800 0.263 0.000 2.061 393 Q HA -0.193 4.148 4.340 0.002 0.000 0.204 393 Q C 2.157 178.345 176.000 0.313 0.000 0.984 393 Q CA 2.005 57.966 55.803 0.263 0.000 0.846 393 Q CB -0.395 28.471 28.738 0.214 0.000 0.902 393 Q HN 0.578 nan 8.270 nan 0.000 0.421 394 A N 0.033 123.056 122.820 0.338 0.000 1.940 394 A HA -0.187 4.135 4.320 0.002 0.000 0.219 394 A C 2.216 179.897 177.584 0.162 0.000 1.176 394 A CA 1.974 54.190 52.037 0.299 0.000 0.631 394 A CB -0.986 18.270 19.000 0.426 0.000 0.814 394 A HN 0.549 nan 8.150 nan 0.000 0.446 395 T N -0.397 114.338 114.554 0.301 0.000 2.746 395 T HA -0.137 4.215 4.350 0.002 0.000 0.267 395 T C 1.882 176.839 174.700 0.428 0.000 1.039 395 T CA 1.694 64.004 62.100 0.349 0.000 1.142 395 T CB -0.238 68.894 68.868 0.440 0.000 0.866 395 T HN 0.687 nan 8.240 nan 0.000 0.444 396 E N 1.108 121.613 120.200 0.509 0.000 2.153 396 E HA -0.067 4.284 4.350 0.002 0.000 0.194 396 E C 2.030 178.835 176.600 0.343 0.000 0.988 396 E CA 1.251 57.990 56.400 0.566 0.000 0.811 396 E CB -0.375 29.601 29.700 0.461 0.000 0.746 396 E HN 0.504 nan 8.360 nan 0.000 0.466 397 M N -0.446 119.265 119.600 0.184 0.000 2.156 397 M HA -0.034 4.448 4.480 0.002 0.000 0.264 397 M C 2.131 178.366 176.300 -0.109 0.000 1.067 397 M CA 1.040 56.349 55.300 0.015 0.000 1.131 397 M CB -0.155 32.421 32.600 -0.041 0.000 1.368 397 M HN 0.141 nan 8.290 nan 0.000 0.416 398 L N -1.263 119.874 121.223 -0.143 0.000 2.046 398 L HA -0.236 4.105 4.340 0.002 0.000 0.208 398 L C 2.608 179.394 176.870 -0.140 0.000 1.077 398 L CA 1.452 56.122 54.840 -0.284 0.000 0.747 398 L CB -0.965 40.599 42.059 -0.825 0.000 0.896 398 L HN 0.271 nan 8.230 nan 0.000 0.432 399 Y N 0.489 120.704 120.300 -0.142 0.000 2.097 399 Y HA -0.296 4.256 4.550 0.002 0.000 0.282 399 Y C 2.639 178.347 175.900 -0.319 0.000 1.152 399 Y CA 1.682 59.545 58.100 -0.395 0.000 1.136 399 Y CB -0.091 37.940 38.460 -0.715 0.000 0.975 399 Y HN 0.035 nan 8.280 nan 0.000 0.498 400 M N 0.362 119.830 119.600 -0.221 0.000 2.460 400 M HA -0.102 4.380 4.480 0.002 0.000 0.263 400 M C 1.143 177.251 176.300 -0.321 0.000 1.071 400 M CA 1.521 56.670 55.300 -0.251 0.000 1.096 400 M CB -0.758 31.818 32.600 -0.040 0.000 1.408 400 M HN 0.335 nan 8.290 nan 0.000 0.463 401 R N -0.736 119.564 120.500 -0.333 0.000 2.507 401 R HA 0.164 4.506 4.340 0.002 0.000 0.298 401 R C 1.336 177.525 176.300 -0.184 0.000 0.999 401 R CA -0.395 55.487 56.100 -0.362 0.000 1.082 401 R CB 0.279 30.179 30.300 -0.666 0.000 1.246 401 R HN 0.124 nan 8.270 nan 0.000 0.553 402 L N 1.552 122.627 121.223 -0.247 0.000 2.127 402 L HA -0.196 4.145 4.340 0.002 0.000 0.211 402 L C 1.239 178.059 176.870 -0.084 0.000 1.089 402 L CA 1.827 56.560 54.840 -0.178 0.000 0.757 402 L CB -0.714 41.112 42.059 -0.389 0.000 0.899 402 L HN 0.178 nan 8.230 nan 0.000 0.434 403 D N -0.771 119.563 120.400 -0.111 0.000 2.149 403 D HA -0.141 4.500 4.640 0.002 0.000 0.198 403 D C 1.790 178.090 176.300 0.000 0.000 0.990 403 D CA 1.821 55.785 54.000 -0.060 0.000 0.839 403 D CB 0.020 40.775 40.800 -0.074 0.000 0.948 403 D HN 0.439 nan 8.370 nan 0.000 0.460 404 T N -2.866 111.724 114.554 0.059 0.000 3.129 404 T HA 0.249 4.600 4.350 0.002 0.000 0.267 404 T C 0.697 175.474 174.700 0.128 0.000 1.018 404 T CA -0.437 61.717 62.100 0.090 0.000 0.903 404 T CB -0.006 68.919 68.868 0.094 0.000 1.067 404 T HN -0.078 nan 8.240 nan 0.000 0.549 405 M N 3.278 122.952 119.600 0.123 0.000 2.238 405 M HA 0.163 4.645 4.480 0.002 0.000 0.350 405 M C 0.400 176.589 176.300 -0.185 0.000 1.321 405 M CA -0.169 55.039 55.300 -0.153 0.000 1.097 405 M CB 0.442 32.932 32.600 -0.184 0.000 1.713 405 M HN 0.247 nan 8.290 nan 0.000 0.455 406 N N 3.033 121.573 118.700 -0.266 0.000 2.412 406 N HA -0.062 4.680 4.740 0.002 0.000 0.258 406 N C 0.382 175.788 175.510 -0.174 0.000 1.236 406 N CA 0.417 53.350 53.050 -0.195 0.000 0.882 406 N CB 0.942 39.312 38.487 -0.195 0.000 1.066 406 N HN 0.711 nan 8.380 nan 0.000 0.465 407 T N 2.794 117.261 114.554 -0.146 0.000 2.685 407 T HA -0.169 4.183 4.350 0.002 0.000 0.268 407 T C 1.619 176.255 174.700 -0.107 0.000 1.034 407 T CA 2.065 64.085 62.100 -0.135 0.000 1.149 407 T CB -0.228 68.520 68.868 -0.199 0.000 0.860 407 T HN 0.622 nan 8.240 nan 0.000 0.449 408 T N 1.120 115.604 114.554 -0.116 0.000 2.708 408 T HA -0.127 4.225 4.350 0.002 0.000 0.266 408 T C 2.317 177.006 174.700 -0.018 0.000 1.037 408 T CA 1.443 63.497 62.100 -0.078 0.000 1.146 408 T CB -0.632 68.186 68.868 -0.084 0.000 0.865 408 T HN 0.518 nan 8.240 nan 0.000 0.435 409 C N 1.012 120.270 119.300 -0.070 0.000 2.440 409 C HA 0.039 4.500 4.460 0.002 0.000 0.278 409 C C 2.810 177.805 174.990 0.008 0.000 1.295 409 C CA -0.155 58.826 59.018 -0.061 0.000 1.738 409 C CB -1.284 26.209 27.740 -0.412 0.000 1.987 409 C HN 0.336 nan 8.230 nan 0.000 0.492 410 V N 1.588 121.497 119.914 -0.008 0.000 2.343 410 V HA -0.211 3.910 4.120 0.002 0.000 0.247 410 V C 2.138 178.395 176.094 0.270 0.000 1.051 410 V CA 2.289 64.678 62.300 0.148 0.000 1.036 410 V CB -0.730 31.146 31.823 0.088 0.000 0.654 410 V HN 0.434 nan 8.190 nan 0.000 0.451 411 D N 0.011 120.520 120.400 0.181 0.000 2.106 411 D HA -0.194 4.447 4.640 0.002 0.000 0.191 411 D C 2.416 178.898 176.300 0.304 0.000 0.997 411 D CA 1.440 55.561 54.000 0.201 0.000 0.834 411 D CB -0.283 40.591 40.800 0.123 0.000 0.956 411 D HN 0.289 nan 8.370 nan 0.000 0.448 412 R N -0.659 120.048 120.500 0.344 0.000 2.105 412 R HA -0.098 4.244 4.340 0.002 0.000 0.239 412 R C 2.112 178.841 176.300 0.714 0.000 1.135 412 R CA 0.673 57.044 56.100 0.453 0.000 0.967 412 R CB -0.406 30.140 30.300 0.410 0.000 0.861 412 R HN 0.166 nan 8.270 nan 0.000 0.442 413 F N 0.917 121.246 119.950 0.631 0.000 2.146 413 F HA -0.049 4.479 4.527 0.002 0.000 0.298 413 F C 1.675 177.942 175.800 0.779 0.000 1.096 413 F CA 1.085 59.547 58.000 0.769 0.000 1.275 413 F CB -0.456 38.823 39.000 0.466 0.000 1.008 413 F HN -0.085 nan 8.300 nan 0.000 0.480 414 I N 0.372 121.292 120.570 0.583 0.000 2.179 414 I HA -0.331 3.841 4.170 0.002 0.000 0.242 414 I C 2.253 178.570 176.117 0.333 0.000 1.088 414 I CA 1.285 62.747 61.300 0.270 0.000 1.357 414 I CB -0.555 37.522 38.000 0.127 0.000 1.051 414 I HN 0.118 nan 8.210 nan 0.000 0.409 415 N N -0.217 118.717 118.700 0.390 0.000 2.216 415 N HA -0.209 4.533 4.740 0.002 0.000 0.183 415 N C 1.568 177.345 175.510 0.446 0.000 1.017 415 N CA 1.199 54.458 53.050 0.349 0.000 0.861 415 N CB -0.244 38.429 38.487 0.310 0.000 0.986 415 N HN 0.480 nan 8.380 nan 0.000 0.428 416 W N 1.272 122.836 121.300 0.441 0.000 2.379 416 W HA -0.104 4.557 4.660 0.002 0.000 0.307 416 W C 2.088 178.911 176.519 0.506 0.000 1.200 416 W CA 0.765 58.390 57.345 0.466 0.000 1.297 416 W CB -0.866 28.887 29.460 0.488 0.000 1.140 416 W HN -0.056 nan 8.180 nan 0.000 0.507 417 F N 2.093 122.031 119.950 -0.021 0.000 2.146 417 F HA -0.133 4.395 4.527 0.002 0.000 0.298 417 F C 2.768 178.409 175.800 -0.265 0.000 1.096 417 F CA 2.457 60.139 58.000 -0.529 0.000 1.275 417 F CB -0.951 38.064 39.000 0.024 0.000 1.008 417 F HN -0.004 nan 8.300 nan 0.000 0.480 418 S N -1.287 114.371 115.700 -0.069 0.000 2.368 418 S HA -0.266 4.205 4.470 0.002 0.000 0.224 418 S C 2.221 176.820 174.600 -0.001 0.000 1.029 418 S CA 1.425 59.595 58.200 -0.049 0.000 0.988 418 S CB -1.362 61.902 63.200 0.108 0.000 0.838 418 S HN 0.714 nan 8.310 nan 0.000 0.462 419 H N 0.239 119.264 119.070 -0.074 0.000 2.357 419 H HA -0.166 4.391 4.556 0.002 0.000 0.301 419 H C 2.362 177.588 175.328 -0.171 0.000 1.082 419 H CA 1.657 57.666 56.048 -0.064 0.000 1.342 419 H CB -0.266 29.520 29.762 0.041 0.000 1.389 419 H HN 0.643 nan 8.280 nan 0.000 0.511 420 H N 0.543 119.369 119.070 -0.407 0.000 2.289 420 H HA -0.140 4.418 4.556 0.002 0.000 0.296 420 H C 2.484 177.628 175.328 -0.307 0.000 1.091 420 H CA 2.060 57.853 56.048 -0.424 0.000 1.274 420 H CB -0.278 29.079 29.762 -0.676 0.000 1.364 420 H HN 0.283 nan 8.280 nan 0.000 0.490 421 L N 0.050 121.053 121.223 -0.367 0.000 2.127 421 L HA -0.188 4.153 4.340 0.002 0.000 0.211 421 L C 2.697 179.173 176.870 -0.655 0.000 1.089 421 L CA 1.424 56.043 54.840 -0.369 0.000 0.757 421 L CB -0.614 41.235 42.059 -0.349 0.000 0.899 421 L HN 0.486 nan 8.230 nan 0.000 0.434 422 S N -1.006 114.267 115.700 -0.712 0.000 2.442 422 S HA -0.156 4.315 4.470 0.002 0.000 0.236 422 S C 1.566 175.722 174.600 -0.741 0.000 1.007 422 S CA 0.974 58.525 58.200 -1.083 0.000 0.965 422 S CB -0.450 62.529 63.200 -0.368 0.000 0.773 422 S HN 0.475 nan 8.310 nan 0.000 0.504 423 N N 0.114 118.419 118.700 -0.658 0.000 2.467 423 N HA 0.121 4.862 4.740 0.002 0.000 0.184 423 N C -0.771 174.063 175.510 -1.127 0.000 1.106 423 N CA 0.621 53.165 53.050 -0.845 0.000 0.892 423 N CB 0.073 37.969 38.487 -0.985 0.000 0.969 423 N HN 0.463 nan 8.380 nan 0.000 0.454 424 F N 0.563 120.258 119.950 -0.425 0.000 2.688 424 F HA 0.263 4.792 4.527 0.002 0.000 0.376 424 F C 0.336 176.001 175.800 -0.225 0.000 1.428 424 F CA -0.528 57.306 58.000 -0.278 0.000 1.156 424 F CB 0.085 38.943 39.000 -0.236 0.000 1.141 424 F HN -0.202 nan 8.300 nan 0.000 0.521 425 Q N -0.845 118.850 119.800 -0.174 0.000 2.422 425 Q HA -0.302 4.039 4.340 0.002 0.000 0.245 425 Q C -0.062 176.002 176.000 0.107 0.000 0.922 425 Q CA 1.181 56.955 55.803 -0.048 0.000 1.192 425 Q CB -1.737 27.034 28.738 0.056 0.000 1.641 425 Q HN 0.582 nan 8.270 nan 0.000 0.552 426 F N -2.400 117.577 119.950 0.045 0.000 2.988 426 F HA -0.269 4.260 4.527 0.003 0.000 0.287 426 F C 0.583 176.463 175.800 0.133 0.000 0.781 426 F CA 1.178 59.218 58.000 0.067 0.000 1.221 426 F CB -1.543 37.496 39.000 0.065 0.000 1.392 426 F HN 0.152 nan 8.300 nan 0.000 0.425 427 R N 1.016 121.641 120.500 0.208 0.000 2.351 427 R HA 0.269 4.610 4.340 0.002 0.000 0.318 427 R C -0.156 176.241 176.300 0.161 0.000 1.055 427 R CA 0.380 56.576 56.100 0.160 0.000 0.968 427 R CB 0.616 30.972 30.300 0.094 0.000 0.974 427 R HN 0.443 nan 8.270 nan 0.000 0.439 428 W N 1.758 122.904 121.300 -0.257 0.000 3.419 428 W HA 0.120 4.781 4.660 0.002 0.000 0.298 428 W C -1.254 174.809 176.519 -0.761 0.000 1.260 428 W CA -0.605 56.377 57.345 -0.604 0.000 1.199 428 W CB 2.130 30.987 29.460 -1.005 0.000 1.349 428 W HN 0.307 nan 8.180 nan 0.000 0.557 429 S N 3.849 118.500 115.700 -1.747 0.000 3.869 429 S HA 0.023 4.494 4.470 0.002 0.000 0.241 429 S C 0.626 174.532 174.600 -1.156 0.000 1.363 429 S CA -0.249 57.235 58.200 -1.193 0.000 0.894 429 S CB -0.447 62.118 63.200 -1.060 0.000 1.519 429 S HN 0.474 nan 8.310 nan 0.000 0.470 430 W N 2.199 123.135 121.300 -0.606 0.000 2.342 430 W HA -0.167 4.494 4.660 0.002 0.000 0.297 430 W C 2.291 178.571 176.519 -0.398 0.000 1.213 430 W CA 0.762 57.762 57.345 -0.574 0.000 1.251 430 W CB -0.209 28.772 29.460 -0.798 0.000 1.136 430 W HN 0.589 nan 8.180 nan 0.000 0.526 431 E N 0.239 120.393 120.200 -0.078 0.000 2.267 431 E HA -0.212 4.139 4.350 0.002 0.000 0.197 431 E C 0.957 177.622 176.600 0.108 0.000 0.998 431 E CA 1.494 57.962 56.400 0.114 0.000 0.830 431 E CB -0.825 28.919 29.700 0.074 0.000 0.751 431 E HN 0.313 nan 8.360 nan 0.000 0.491 432 D N -0.048 120.297 120.400 -0.091 0.000 2.309 432 D HA -0.141 4.500 4.640 0.002 0.000 0.212 432 D C 0.453 176.942 176.300 0.315 0.000 0.968 432 D CA 0.742 54.733 54.000 -0.014 0.000 0.882 432 D CB -0.188 40.459 40.800 -0.255 0.000 0.918 432 D HN 0.386 nan 8.370 nan 0.000 0.503 433 W N 0.578 121.956 121.300 0.130 0.000 2.926 433 W HA 0.313 4.975 4.660 0.002 0.000 0.419 433 W C 1.551 178.320 176.519 0.416 0.000 0.993 433 W CA -0.999 56.436 57.345 0.150 0.000 2.025 433 W CB -0.687 28.762 29.460 -0.018 0.000 1.152 433 W HN -0.181 nan 8.180 nan 0.000 0.659 434 S N 1.036 117.077 115.700 0.568 0.000 2.400 434 S HA -0.223 4.248 4.470 0.002 0.000 0.232 434 S C 1.728 176.477 174.600 0.249 0.000 1.025 434 S CA 2.103 60.536 58.200 0.389 0.000 0.993 434 S CB -0.183 63.195 63.200 0.296 0.000 0.808 434 S HN 0.437 nan 8.310 nan 0.000 0.478 435 D N 1.585 122.151 120.400 0.276 0.000 2.220 435 D HA -0.199 4.442 4.640 0.002 0.000 0.198 435 D C 2.125 178.531 176.300 0.178 0.000 1.001 435 D CA 1.550 55.673 54.000 0.206 0.000 0.875 435 D CB -1.421 39.507 40.800 0.213 0.000 0.921 435 D HN 0.628 nan 8.370 nan 0.000 0.454 436 C N -0.223 119.225 119.300 0.246 0.000 2.456 436 C HA 0.203 4.664 4.460 0.002 0.000 0.279 436 C C 2.698 177.726 174.990 0.063 0.000 1.427 436 C CA -0.311 58.820 59.018 0.188 0.000 1.778 436 C CB -1.718 26.213 27.740 0.318 0.000 1.842 436 C HN 0.328 nan 8.230 nan 0.000 0.531 437 L N 2.239 123.454 121.223 -0.012 0.000 2.291 437 L HA -0.011 4.331 4.340 0.002 0.000 0.214 437 L C 2.589 179.442 176.870 -0.027 0.000 1.120 437 L CA 1.699 56.480 54.840 -0.098 0.000 0.799 437 L CB -0.339 41.611 42.059 -0.181 0.000 0.925 437 L HN 0.649 nan 8.230 nan 0.000 0.446 438 S N -2.494 113.213 115.700 0.012 0.000 2.593 438 S HA 0.196 4.668 4.470 0.002 0.000 0.236 438 S C 0.472 175.090 174.600 0.030 0.000 0.991 438 S CA -0.651 57.562 58.200 0.021 0.000 0.963 438 S CB 0.203 63.419 63.200 0.027 0.000 0.865 438 S HN 0.300 nan 8.310 nan 0.000 0.488 439 Q N 1.602 121.424 119.800 0.037 0.000 2.221 439 Q HA 0.297 4.638 4.340 0.002 0.000 0.242 439 Q C -0.791 175.234 176.000 0.042 0.000 0.940 439 Q CA -0.869 54.959 55.803 0.041 0.000 0.896 439 Q CB 0.671 29.437 28.738 0.046 0.000 1.226 439 Q HN 0.299 nan 8.270 nan 0.000 0.463 440 D N 2.010 122.438 120.400 0.045 0.000 2.581 440 D HA -0.059 4.582 4.640 0.002 0.000 0.238 440 D C -1.741 174.597 176.300 0.063 0.000 1.145 440 D CA -1.102 52.930 54.000 0.054 0.000 0.866 440 D CB 0.901 41.736 40.800 0.058 0.000 1.151 440 D HN 0.203 nan 8.370 nan 0.000 0.500 441 P HA -0.120 nan 4.420 nan 0.000 0.223 441 P C 0.649 178.004 177.300 0.092 0.000 1.144 441 P CA 1.047 64.192 63.100 0.076 0.000 0.783 441 P CB 0.231 31.975 31.700 0.073 0.000 0.771 442 E N -0.533 119.725 120.200 0.096 0.000 2.318 442 E HA 0.004 4.356 4.350 0.002 0.000 0.193 442 E C 0.601 177.259 176.600 0.096 0.000 0.998 442 E CA 0.046 56.513 56.400 0.111 0.000 0.859 442 E CB 0.003 29.780 29.700 0.129 0.000 0.812 442 E HN 0.320 nan 8.360 nan 0.000 0.492 443 S N 1.052 116.799 115.700 0.079 0.000 2.585 443 S HA 0.072 4.543 4.470 0.002 0.000 0.273 443 S C -2.003 172.628 174.600 0.051 0.000 1.339 443 S CA -1.251 56.984 58.200 0.058 0.000 1.028 443 S CB 0.924 64.148 63.200 0.042 0.000 0.906 443 S HN -0.184 nan 8.310 nan 0.000 0.528 444 P HA -0.143 nan 4.420 nan 0.000 0.216 444 P C 1.149 178.466 177.300 0.029 0.000 1.153 444 P CA 1.450 64.560 63.100 0.017 0.000 0.858 444 P CB 0.079 31.758 31.700 -0.034 0.000 0.789 445 K N -0.785 119.597 120.400 -0.031 0.000 2.001 445 K HA -0.071 4.250 4.320 0.002 0.000 0.208 445 K C -0.466 176.265 176.600 0.218 0.000 1.048 445 K CA 1.938 58.214 56.287 -0.017 0.000 0.932 445 K CB -1.823 30.585 32.500 -0.153 0.000 0.715 445 K HN 0.281 nan 8.250 nan 0.000 0.437 446 P HA -0.164 nan 4.420 nan 0.000 0.219 446 P C 0.988 178.402 177.300 0.188 0.000 1.150 446 P CA 1.324 64.539 63.100 0.191 0.000 0.814 446 P CB 0.103 31.874 31.700 0.118 0.000 0.787 447 K N -0.636 119.863 120.400 0.165 0.000 2.026 447 K HA -0.164 4.157 4.320 0.002 0.000 0.208 447 K C 2.120 178.832 176.600 0.186 0.000 1.048 447 K CA 1.233 57.614 56.287 0.156 0.000 0.929 447 K CB -0.646 31.932 32.500 0.131 0.000 0.713 447 K HN -0.041 nan 8.250 nan 0.000 0.439 448 F N 0.908 120.897 119.950 0.064 0.000 2.126 448 F HA -0.219 4.309 4.527 0.002 0.000 0.299 448 F C 1.725 177.608 175.800 0.139 0.000 1.096 448 F CA 1.260 59.286 58.000 0.044 0.000 1.255 448 F CB -0.241 38.724 39.000 -0.059 0.000 0.997 448 F HN -0.197 nan 8.300 nan 0.000 0.479 449 V N 1.049 121.131 119.914 0.279 0.000 2.358 449 V HA -0.239 3.882 4.120 0.002 0.000 0.246 449 V C 2.540 178.721 176.094 0.145 0.000 1.047 449 V CA 2.020 64.505 62.300 0.309 0.000 1.035 449 V CB -0.613 31.561 31.823 0.586 0.000 0.658 449 V HN 0.289 nan 8.190 nan 0.000 0.452 450 R N -0.209 120.367 120.500 0.127 0.000 2.073 450 R HA -0.145 4.197 4.340 0.002 0.000 0.234 450 R C 2.328 178.653 176.300 0.041 0.000 1.134 450 R CA 1.502 57.651 56.100 0.082 0.000 0.952 450 R CB -0.343 30.017 30.300 0.099 0.000 0.850 450 R HN 0.512 nan 8.270 nan 0.000 0.433 451 E N 0.392 120.606 120.200 0.023 0.000 2.110 451 E HA -0.132 4.220 4.350 0.002 0.000 0.193 451 E C 2.171 178.750 176.600 -0.036 0.000 0.988 451 E CA 0.942 57.352 56.400 0.017 0.000 0.804 451 E CB -0.183 29.533 29.700 0.025 0.000 0.745 451 E HN 0.140 nan 8.360 nan 0.000 0.458 452 V N 1.670 121.496 119.914 -0.147 0.000 2.343 452 V HA -0.230 3.891 4.120 0.002 0.000 0.247 452 V C 2.504 178.609 176.094 0.019 0.000 1.051 452 V CA 1.344 63.594 62.300 -0.082 0.000 1.036 452 V CB -0.501 31.273 31.823 -0.082 0.000 0.654 452 V HN 0.205 nan 8.190 nan 0.000 0.451 453 L N -0.361 120.855 121.223 -0.012 0.000 2.093 453 L HA -0.184 4.157 4.340 0.002 0.000 0.208 453 L C 2.534 179.358 176.870 -0.075 0.000 1.085 453 L CA 1.713 56.500 54.840 -0.089 0.000 0.755 453 L CB -0.579 41.389 42.059 -0.152 0.000 0.904 453 L HN 0.419 nan 8.230 nan 0.000 0.435 454 E N 0.402 120.590 120.200 -0.019 0.000 2.031 454 E HA -0.219 4.132 4.350 0.002 0.000 0.193 454 E C 2.191 178.804 176.600 0.023 0.000 0.994 454 E CA 1.044 57.450 56.400 0.010 0.000 0.800 454 E CB 0.225 29.958 29.700 0.055 0.000 0.752 454 E HN 0.238 nan 8.360 nan 0.000 0.447 455 K N 0.241 120.668 120.400 0.046 0.000 2.063 455 K HA -0.165 4.156 4.320 0.002 0.000 0.208 455 K C 2.263 178.901 176.600 0.064 0.000 1.048 455 K CA 1.193 57.523 56.287 0.071 0.000 0.928 455 K CB -0.728 31.828 32.500 0.093 0.000 0.713 455 K HN 0.326 nan 8.250 nan 0.000 0.442 456 C N 0.975 120.293 119.300 0.029 0.000 2.435 456 C HA -0.023 4.438 4.460 0.002 0.000 0.279 456 C C 2.771 177.664 174.990 -0.161 0.000 1.321 456 C CA 0.417 59.432 59.018 -0.005 0.000 1.752 456 C CB -0.658 26.984 27.740 -0.163 0.000 1.959 456 C HN 0.505 nan 8.230 nan 0.000 0.500 457 M N 0.428 119.937 119.600 -0.153 0.000 2.175 457 M HA -0.118 4.364 4.480 0.002 0.000 0.264 457 M C 2.349 178.619 176.300 -0.050 0.000 1.063 457 M CA 1.564 56.770 55.300 -0.156 0.000 1.119 457 M CB -0.307 32.224 32.600 -0.115 0.000 1.377 457 M HN 0.289 nan 8.290 nan 0.000 0.415 458 R N 0.099 120.603 120.500 0.006 0.000 2.152 458 R HA -0.030 4.311 4.340 0.002 0.000 0.232 458 R C 1.745 178.080 176.300 0.058 0.000 1.117 458 R CA 1.017 57.144 56.100 0.046 0.000 0.981 458 R CB -0.262 30.087 30.300 0.081 0.000 0.870 458 R HN 0.407 nan 8.270 nan 0.000 0.451 459 L N -0.040 121.236 121.223 0.089 0.000 2.592 459 L HA 0.079 4.420 4.340 0.002 0.000 0.227 459 L C 1.041 178.023 176.870 0.186 0.000 1.127 459 L CA 0.097 55.025 54.840 0.147 0.000 0.884 459 L CB 0.142 42.333 42.059 0.221 0.000 1.065 459 L HN 0.233 nan 8.230 nan 0.000 0.457 460 S N -1.452 114.307 115.700 0.099 0.000 3.962 460 S HA 0.372 4.843 4.470 0.002 0.000 0.175 460 S C -0.693 174.013 174.600 0.177 0.000 1.091 460 S CA -0.322 57.955 58.200 0.128 0.000 1.174 460 S CB 0.731 63.910 63.200 -0.036 0.000 1.845 460 S HN 0.101 nan 8.310 nan 0.000 0.835 461 Y N -1.628 118.611 120.300 -0.102 0.000 2.702 461 Y HA 0.536 5.087 4.550 0.002 0.000 0.336 461 Y C 0.848 176.693 175.900 -0.092 0.000 1.203 461 Y CA -0.779 57.271 58.100 -0.084 0.000 1.072 461 Y CB -0.210 38.212 38.460 -0.063 0.000 1.327 461 Y HN 0.555 nan 8.280 nan 0.000 0.456 462 H N 0.765 119.805 119.070 -0.050 0.000 2.265 462 H HA -0.218 4.339 4.556 0.002 0.000 0.293 462 H C 1.545 176.751 175.328 -0.204 0.000 1.089 462 H CA 3.291 59.262 56.048 -0.129 0.000 1.244 462 H CB 0.194 29.919 29.762 -0.061 0.000 1.355 462 H HN 0.849 nan 8.280 nan 0.000 0.485 463 Q N 0.692 120.429 119.800 -0.104 0.000 2.124 463 Q HA -0.117 4.224 4.340 0.002 0.000 0.202 463 Q C 2.524 178.283 176.000 -0.402 0.000 0.977 463 Q CA 1.121 56.827 55.803 -0.162 0.000 0.850 463 Q CB -0.294 28.525 28.738 0.135 0.000 0.901 463 Q HN 0.206 nan 8.270 nan 0.000 0.429 464 R N 0.083 120.087 120.500 -0.827 0.000 2.112 464 R HA -0.154 4.188 4.340 0.002 0.000 0.242 464 R C 2.007 177.978 176.300 -0.548 0.000 1.137 464 R CA 1.640 57.274 56.100 -0.777 0.000 0.944 464 R CB -0.876 28.733 30.300 -1.152 0.000 0.857 464 R HN 0.363 nan 8.270 nan 0.000 0.435 465 I N 1.129 121.334 120.570 -0.608 0.000 2.179 465 I HA -0.265 3.907 4.170 0.002 0.000 0.242 465 I C 2.422 178.278 176.117 -0.436 0.000 1.088 465 I CA 0.880 61.862 61.300 -0.529 0.000 1.357 465 I CB -1.309 36.389 38.000 -0.505 0.000 1.051 465 I HN 0.122 nan 8.210 nan 0.000 0.409 466 L N 0.677 121.627 121.223 -0.457 0.000 2.129 466 L HA -0.239 4.102 4.340 0.002 0.000 0.212 466 L C 2.100 178.830 176.870 -0.234 0.000 1.087 466 L CA 1.866 56.503 54.840 -0.338 0.000 0.757 466 L CB -1.358 40.496 42.059 -0.342 0.000 0.896 466 L HN 0.284 nan 8.230 nan 0.000 0.434 467 D N -0.544 119.719 120.400 -0.228 0.000 2.224 467 D HA -0.087 4.554 4.640 0.002 0.000 0.205 467 D C 2.146 178.371 176.300 -0.124 0.000 0.965 467 D CA 0.875 54.786 54.000 -0.147 0.000 0.852 467 D CB 0.189 40.916 40.800 -0.122 0.000 0.947 467 D HN 0.528 nan 8.370 nan 0.000 0.494 468 I N -1.238 119.232 120.570 -0.167 0.000 3.030 468 I HA 0.047 4.218 4.170 0.002 0.000 0.270 468 I C 0.765 176.804 176.117 -0.130 0.000 1.211 468 I CA -0.094 61.157 61.300 -0.082 0.000 1.479 468 I CB 0.036 38.031 38.000 -0.008 0.000 1.105 468 I HN -0.246 nan 8.210 nan 0.000 0.447 469 V N -0.287 119.439 119.914 -0.313 0.000 2.904 469 V HA 0.578 4.700 4.120 0.002 0.000 0.305 469 V C -2.463 173.520 176.094 -0.186 0.000 1.067 469 V CA -1.923 60.101 62.300 -0.460 0.000 1.044 469 V CB 0.036 31.496 31.823 -0.605 0.000 1.050 469 V HN -0.005 nan 8.190 nan 0.000 0.475 470 P HA 0.291 nan 4.420 nan 0.000 0.269 470 P C -2.238 175.116 177.300 0.091 0.000 1.215 470 P CA -1.375 61.740 63.100 0.026 0.000 0.780 470 P CB -0.135 31.627 31.700 0.102 0.000 0.898 471 P HA -0.227 nan 4.420 nan 0.000 0.217 471 P C 1.317 178.678 177.300 0.103 0.000 1.151 471 P CA 2.059 65.197 63.100 0.065 0.000 0.849 471 P CB -0.691 31.039 31.700 0.051 0.000 0.787 472 T N -5.242 109.408 114.554 0.161 0.000 3.098 472 T HA -0.080 4.272 4.350 0.002 0.000 0.266 472 T C 1.038 175.810 174.700 0.120 0.000 1.145 472 T CA 0.780 62.967 62.100 0.144 0.000 1.092 472 T CB -1.075 67.887 68.868 0.157 0.000 0.908 472 T HN -0.047 nan 8.240 nan 0.000 0.526 473 F N 0.922 120.870 119.950 -0.002 0.000 2.664 473 F HA 0.470 4.999 4.527 0.002 0.000 0.303 473 F C 2.303 178.069 175.800 -0.057 0.000 1.092 473 F CA -0.861 57.126 58.000 -0.021 0.000 1.305 473 F CB -0.031 38.924 39.000 -0.075 0.000 1.054 473 F HN 0.093 nan 8.300 nan 0.000 0.565 474 S N 0.380 116.131 115.700 0.084 0.000 2.383 474 S HA -0.227 4.245 4.470 0.002 0.000 0.229 474 S C 2.443 177.053 174.600 0.018 0.000 1.030 474 S CA 1.270 59.485 58.200 0.025 0.000 1.002 474 S CB -0.358 62.853 63.200 0.017 0.000 0.829 474 S HN 0.402 nan 8.310 nan 0.000 0.467 475 A N 1.005 123.831 122.820 0.011 0.000 2.070 475 A HA 0.049 4.370 4.320 0.002 0.000 0.220 475 A C 1.815 179.410 177.584 0.018 0.000 1.159 475 A CA 0.926 52.968 52.037 0.009 0.000 0.656 475 A CB -0.422 18.575 19.000 -0.005 0.000 0.800 475 A HN 0.494 nan 8.150 nan 0.000 0.453 476 L N -0.918 120.317 121.223 0.021 0.000 2.529 476 L HA 0.063 4.404 4.340 0.002 0.000 0.223 476 L C 0.544 177.432 176.870 0.029 0.000 1.113 476 L CA -0.394 54.473 54.840 0.044 0.000 0.861 476 L CB -0.983 41.128 42.059 0.086 0.000 1.012 476 L HN 0.258 nan 8.230 nan 0.000 0.461 477 C N 1.873 121.173 119.300 -0.001 0.000 2.689 477 C HA 0.213 4.674 4.460 0.002 0.000 0.409 477 C C -1.331 173.659 174.990 0.001 0.000 1.293 477 C CA -0.805 58.184 59.018 -0.049 0.000 2.136 477 C CB 0.224 27.906 27.740 -0.097 0.000 2.719 477 C HN 0.191 nan 8.230 nan 0.000 0.644 478 P HA 0.347 nan 4.420 nan 0.000 0.276 478 P C -0.712 176.673 177.300 0.141 0.000 1.244 478 P CA -0.102 63.031 63.100 0.056 0.000 0.801 478 P CB 0.556 32.277 31.700 0.036 0.000 1.006 479 A N 1.914 124.782 122.820 0.081 0.000 2.406 479 A HA 0.104 4.425 4.320 0.002 0.000 0.243 479 A C 0.621 178.136 177.584 -0.115 0.000 1.082 479 A CA -0.152 51.898 52.037 0.022 0.000 0.786 479 A CB -0.604 18.390 19.000 -0.009 0.000 1.029 479 A HN 0.606 nan 8.150 nan 0.000 0.495 480 N N 1.233 119.715 118.700 -0.363 0.000 2.452 480 N HA 0.188 4.929 4.740 0.002 0.000 0.266 480 N C -2.181 173.171 175.510 -0.264 0.000 1.209 480 N CA -1.627 51.057 53.050 -0.610 0.000 0.929 480 N CB 0.683 38.835 38.487 -0.558 0.000 1.063 480 N HN 0.297 nan 8.380 nan 0.000 0.472 481 P HA 0.052 nan 4.420 nan 0.000 0.228 481 P C -0.607 176.712 177.300 0.031 0.000 1.748 481 P CA -0.197 62.791 63.100 -0.188 0.000 0.909 481 P CB -0.897 30.448 31.700 -0.591 0.000 1.882 482 T N -1.329 113.251 114.554 0.044 0.000 2.918 482 T HA 0.399 4.751 4.350 0.002 0.000 0.283 482 T C 0.780 175.518 174.700 0.063 0.000 1.001 482 T CA -0.745 61.411 62.100 0.095 0.000 1.041 482 T CB 0.774 69.635 68.868 -0.012 0.000 1.028 482 T HN 0.396 nan 8.240 nan 0.000 0.511 483 C N 1.145 120.340 119.300 -0.175 0.000 2.362 483 C HA 0.782 5.244 4.460 0.002 0.000 0.363 483 C C 0.110 174.888 174.990 -0.353 0.000 1.220 483 C CA -1.207 57.401 59.018 -0.683 0.000 2.379 483 C CB -0.902 25.795 27.740 -1.738 0.000 2.351 483 C HN 0.859 nan 8.230 nan 0.000 0.582 484 I N 2.056 122.409 120.570 -0.361 0.000 2.355 484 I HA 0.264 4.436 4.170 0.002 0.000 0.288 484 I C -0.716 175.315 176.117 -0.144 0.000 0.999 484 I CA -0.235 60.945 61.300 -0.200 0.000 1.163 484 I CB 0.705 38.595 38.000 -0.184 0.000 1.316 484 I HN 0.786 nan 8.210 nan 0.000 0.454 485 Y N 6.809 126.954 120.300 -0.259 0.000 2.385 485 Y HA 0.203 4.754 4.550 0.002 0.000 0.341 485 Y C 1.299 177.011 175.900 -0.314 0.000 0.965 485 Y CA -0.490 57.424 58.100 -0.310 0.000 1.180 485 Y CB 1.166 39.337 38.460 -0.480 0.000 1.139 485 Y HN 0.609 nan 8.280 nan 0.000 0.502 486 K N 3.716 123.777 120.400 -0.566 0.000 2.147 486 K HA -0.168 4.154 4.320 0.002 0.000 0.205 486 K C -0.218 175.712 176.600 -1.117 0.000 1.049 486 K CA 1.603 57.400 56.287 -0.817 0.000 0.936 486 K CB 0.008 31.953 32.500 -0.925 0.000 0.722 486 K HN 0.790 nan 8.250 nan 0.000 0.446 487 Y N -0.159 119.463 120.300 -1.129 0.000 2.708 487 Y HA 0.273 4.824 4.550 0.002 0.000 0.287 487 Y C 1.265 176.630 175.900 -0.891 0.000 1.145 487 Y CA -0.651 56.931 58.100 -0.864 0.000 1.249 487 Y CB 0.368 38.431 38.460 -0.661 0.000 1.152 487 Y HN 0.068 nan 8.280 nan 0.000 0.532 488 G N 0.281 108.608 108.800 -0.789 0.000 2.466 488 G HA2 -0.151 3.811 3.960 0.002 0.000 0.204 488 G HA3 -0.151 3.811 3.960 0.002 0.000 0.204 488 G C 0.446 175.316 174.900 -0.050 0.000 1.600 488 G CA 0.375 45.339 45.100 -0.227 0.000 1.038 488 G HN 0.195 nan 8.290 nan 0.000 0.515 489 D N -0.223 120.177 120.400 -0.000 0.000 2.328 489 D HA 0.096 4.737 4.640 0.002 0.000 0.221 489 D C 0.659 176.958 176.300 -0.002 0.000 1.072 489 D CA 0.007 54.020 54.000 0.023 0.000 0.850 489 D CB 0.215 41.035 40.800 0.035 0.000 0.922 489 D HN 0.498 nan 8.370 nan 0.000 0.516 490 E N 0.347 120.526 120.200 -0.036 0.000 2.292 490 E HA 0.041 4.392 4.350 0.002 0.000 0.265 490 E C 0.205 176.780 176.600 -0.042 0.000 1.093 490 E CA -0.042 56.330 56.400 -0.048 0.000 0.922 490 E CB 0.377 30.029 29.700 -0.081 0.000 1.001 490 E HN -0.242 nan 8.360 nan 0.000 0.444 491 S N 3.352 119.028 115.700 -0.041 0.000 3.032 491 S HA -0.097 4.374 4.470 0.002 0.000 0.251 491 S C 0.390 174.924 174.600 -0.109 0.000 1.017 491 S CA 0.414 58.581 58.200 -0.055 0.000 1.098 491 S CB -0.378 62.795 63.200 -0.044 0.000 0.846 491 S HN 0.364 nan 8.310 nan 0.000 0.538 492 S N 2.508 118.128 115.700 -0.133 0.000 3.965 492 S HA 0.153 4.624 4.470 0.002 0.000 0.195 492 S C 1.056 175.408 174.600 -0.413 0.000 1.449 492 S CA -0.736 57.355 58.200 -0.181 0.000 0.965 492 S CB -0.284 62.850 63.200 -0.111 0.000 1.459 492 S HN 0.489 nan 8.310 nan 0.000 0.476 493 N N 1.243 119.631 118.700 -0.519 0.000 2.520 493 N HA -0.082 4.660 4.740 0.002 0.000 0.185 493 N C 1.469 176.745 175.510 -0.389 0.000 1.068 493 N CA 0.770 53.342 53.050 -0.797 0.000 0.911 493 N CB -0.155 38.113 38.487 -0.365 0.000 0.961 493 N HN 0.613 nan 8.380 nan 0.000 0.446 494 S N -0.329 115.240 115.700 -0.219 0.000 2.575 494 S HA 0.172 4.644 4.470 0.002 0.000 0.215 494 S C 0.801 175.379 174.600 -0.036 0.000 0.966 494 S CA -0.420 57.724 58.200 -0.094 0.000 0.911 494 S CB -0.109 63.048 63.200 -0.072 0.000 0.780 494 S HN 0.112 nan 8.310 nan 0.000 0.514 495 L N 2.465 123.680 121.223 -0.014 0.000 2.485 495 L HA 0.273 4.615 4.340 0.002 0.000 0.275 495 L C -2.327 174.619 176.870 0.128 0.000 1.207 495 L CA -1.902 52.991 54.840 0.088 0.000 0.855 495 L CB -0.043 42.126 42.059 0.183 0.000 1.114 495 L HN 0.029 nan 8.230 nan 0.000 0.485 496 P HA 0.072 nan 4.420 nan 0.000 0.268 496 P C 0.620 177.970 177.300 0.084 0.000 1.204 496 P CA 0.409 63.556 63.100 0.079 0.000 0.768 496 P CB 0.799 32.537 31.700 0.064 0.000 0.842 497 G N 1.886 110.695 108.800 0.015 0.000 2.168 497 G HA2 -0.376 3.585 3.960 0.002 0.000 0.263 497 G HA3 -0.376 3.585 3.960 0.002 0.000 0.263 497 G C 1.072 175.850 174.900 -0.203 0.000 0.977 497 G CA 0.868 45.918 45.100 -0.084 0.000 0.659 497 G HN 0.693 nan 8.290 nan 0.000 0.533 498 H N 1.822 120.794 119.070 -0.163 0.000 2.321 498 H HA -0.152 4.405 4.556 0.002 0.000 0.295 498 H C 2.813 178.029 175.328 -0.185 0.000 1.102 498 H CA 3.477 59.419 56.048 -0.177 0.000 1.266 498 H CB -0.106 29.646 29.762 -0.015 0.000 1.363 498 H HN 0.666 nan 8.280 nan 0.000 0.492 499 S N -0.977 114.679 115.700 -0.073 0.000 2.436 499 S HA -0.071 4.400 4.470 0.002 0.000 0.228 499 S C 2.296 176.805 174.600 -0.153 0.000 1.014 499 S CA 0.853 58.993 58.200 -0.100 0.000 0.950 499 S CB -0.544 62.654 63.200 -0.003 0.000 0.784 499 S HN 0.230 nan 8.310 nan 0.000 0.504 500 V N 2.544 122.361 119.914 -0.162 0.000 2.343 500 V HA -0.118 4.003 4.120 0.002 0.000 0.247 500 V C 3.126 179.090 176.094 -0.216 0.000 1.051 500 V CA 1.655 63.857 62.300 -0.163 0.000 1.036 500 V CB -1.443 30.296 31.823 -0.140 0.000 0.654 500 V HN 0.659 nan 8.190 nan 0.000 0.451 501 A N -0.409 122.200 122.820 -0.352 0.000 1.933 501 A HA -0.139 4.182 4.320 0.002 0.000 0.218 501 A C 2.210 179.672 177.584 -0.204 0.000 1.175 501 A CA 1.509 53.329 52.037 -0.362 0.000 0.628 501 A CB -0.435 18.091 19.000 -0.790 0.000 0.814 501 A HN 0.428 nan 8.150 nan 0.000 0.444 502 L N -0.645 120.430 121.223 -0.246 0.000 2.056 502 L HA -0.218 4.123 4.340 0.002 0.000 0.207 502 L C 2.772 179.587 176.870 -0.091 0.000 1.078 502 L CA 1.715 56.469 54.840 -0.144 0.000 0.749 502 L CB -1.235 40.731 42.059 -0.154 0.000 0.901 502 L HN 0.514 nan 8.230 nan 0.000 0.433 503 C N -0.106 119.127 119.300 -0.112 0.000 2.413 503 C HA -0.188 4.273 4.460 0.002 0.000 0.276 503 C C 2.879 177.783 174.990 -0.143 0.000 1.236 503 C CA 0.421 59.374 59.018 -0.107 0.000 1.735 503 C CB -0.915 26.758 27.740 -0.110 0.000 2.031 503 C HN 0.424 nan 8.230 nan 0.000 0.474 504 L N 1.034 122.156 121.223 -0.167 0.000 1.989 504 L HA -0.203 4.138 4.340 0.002 0.000 0.211 504 L C 2.925 179.688 176.870 -0.180 0.000 1.071 504 L CA 1.793 56.470 54.840 -0.272 0.000 0.749 504 L CB -0.916 41.055 42.059 -0.147 0.000 0.890 504 L HN 0.360 nan 8.230 nan 0.000 0.431 505 A N -0.207 122.634 122.820 0.035 0.000 1.873 505 A HA -0.200 4.121 4.320 0.002 0.000 0.218 505 A C 2.323 179.955 177.584 0.081 0.000 1.193 505 A CA 2.196 54.320 52.037 0.145 0.000 0.629 505 A CB -1.058 18.017 19.000 0.126 0.000 0.826 505 A HN 0.202 nan 8.150 nan 0.000 0.447 506 V N -0.144 119.777 119.914 0.012 0.000 2.332 506 V HA -0.297 3.825 4.120 0.002 0.000 0.248 506 V C 3.048 179.131 176.094 -0.018 0.000 1.055 506 V CA 2.171 64.473 62.300 0.002 0.000 1.038 506 V CB -1.327 30.486 31.823 -0.017 0.000 0.651 506 V HN 0.656 nan 8.190 nan 0.000 0.450 507 A N -0.769 121.992 122.820 -0.099 0.000 1.898 507 A HA -0.161 4.160 4.320 0.002 0.000 0.216 507 A C 2.098 179.628 177.584 -0.090 0.000 1.181 507 A CA 1.716 53.666 52.037 -0.144 0.000 0.620 507 A CB -0.724 18.114 19.000 -0.270 0.000 0.819 507 A HN 0.500 nan 8.150 nan 0.000 0.442 508 F N 0.082 120.015 119.950 -0.029 0.000 2.134 508 F HA -0.167 4.361 4.527 0.002 0.000 0.299 508 F C 2.419 178.232 175.800 0.021 0.000 1.097 508 F CA 1.588 59.577 58.000 -0.017 0.000 1.264 508 F CB -0.067 38.880 39.000 -0.088 0.000 1.001 508 F HN 0.117 nan 8.300 nan 0.000 0.479 509 K N -0.037 120.481 120.400 0.198 0.000 2.148 509 K HA -0.106 4.215 4.320 0.002 0.000 0.204 509 K C 1.776 178.429 176.600 0.088 0.000 1.050 509 K CA 1.520 57.878 56.287 0.117 0.000 0.942 509 K CB -0.245 32.303 32.500 0.081 0.000 0.724 509 K HN 0.221 nan 8.250 nan 0.000 0.446 510 S N 0.502 116.247 115.700 0.076 0.000 2.634 510 S HA 0.116 4.588 4.470 0.002 0.000 0.221 510 S C -0.559 174.087 174.600 0.076 0.000 0.952 510 S CA -0.355 57.880 58.200 0.058 0.000 0.930 510 S CB 0.005 63.226 63.200 0.034 0.000 0.780 510 S HN 0.031 nan 8.310 nan 0.000 0.498 511 K N 0.386 120.861 120.400 0.125 0.000 5.407 511 K HA -0.023 4.298 4.320 0.002 0.000 0.880 511 K C -0.429 176.272 176.600 0.169 0.000 1.791 511 K CA 0.905 57.286 56.287 0.157 0.000 1.529 511 K CB -1.926 30.630 32.500 0.094 0.000 2.555 511 K HN 0.600 nan 8.250 nan 0.000 0.247 512 A N 2.089 125.088 122.820 0.297 0.000 2.311 512 A HA 0.829 5.150 4.320 0.002 0.000 0.334 512 A C 0.539 178.309 177.584 0.310 0.000 1.139 512 A CA 0.202 52.385 52.037 0.243 0.000 0.830 512 A CB 0.974 20.035 19.000 0.102 0.000 1.234 512 A HN 0.786 nan 8.150 nan 0.000 0.483 513 T N -0.924 113.742 114.554 0.186 0.000 2.927 513 T HA 0.255 4.607 4.350 0.002 0.000 0.281 513 T C 0.776 175.599 174.700 0.205 0.000 0.998 513 T CA -0.662 61.526 62.100 0.146 0.000 1.019 513 T CB 0.729 69.645 68.868 0.079 0.000 1.061 513 T HN 0.497 nan 8.240 nan 0.000 0.518 514 N N 1.103 119.896 118.700 0.154 0.000 2.094 514 N HA -0.143 4.598 4.740 0.002 0.000 0.191 514 N C 1.162 176.724 175.510 0.088 0.000 1.023 514 N CA 1.523 54.624 53.050 0.086 0.000 0.857 514 N CB -0.420 38.122 38.487 0.090 0.000 1.013 514 N HN 0.653 nan 8.380 nan 0.000 0.426 515 D N 0.597 121.109 120.400 0.187 0.000 2.183 515 D HA -0.110 4.532 4.640 0.002 0.000 0.203 515 D C 1.850 178.237 176.300 0.145 0.000 0.969 515 D CA 0.568 54.713 54.000 0.243 0.000 0.842 515 D CB -0.110 40.779 40.800 0.148 0.000 0.957 515 D HN 0.490 nan 8.370 nan 0.000 0.484 516 E N 0.253 120.496 120.200 0.071 0.000 2.072 516 E HA -0.140 4.212 4.350 0.002 0.000 0.191 516 E C 1.961 178.528 176.600 -0.055 0.000 0.985 516 E CA 0.579 56.986 56.400 0.011 0.000 0.801 516 E CB 0.112 29.814 29.700 0.002 0.000 0.750 516 E HN 0.055 nan 8.360 nan 0.000 0.452 517 I N 0.767 121.268 120.570 -0.115 0.000 2.179 517 I HA -0.228 3.943 4.170 0.002 0.000 0.242 517 I C 2.184 178.178 176.117 -0.206 0.000 1.088 517 I CA 1.140 62.283 61.300 -0.262 0.000 1.357 517 I CB -1.248 36.533 38.000 -0.366 0.000 1.051 517 I HN 0.162 nan 8.210 nan 0.000 0.409 518 F N 1.555 121.436 119.950 -0.115 0.000 2.120 518 F HA -0.222 4.306 4.527 0.002 0.000 0.300 518 F C 2.891 178.632 175.800 -0.098 0.000 1.095 518 F CA 1.532 59.462 58.000 -0.116 0.000 1.249 518 F CB -1.156 37.795 39.000 -0.082 0.000 0.995 518 F HN 0.016 nan 8.300 nan 0.000 0.480 519 S N 0.139 115.908 115.700 0.114 0.000 2.370 519 S HA -0.178 4.293 4.470 0.002 0.000 0.226 519 S C 2.172 176.767 174.600 -0.009 0.000 1.033 519 S CA 1.364 59.586 58.200 0.037 0.000 1.011 519 S CB -0.498 62.711 63.200 0.016 0.000 0.852 519 S HN 0.266 nan 8.310 nan 0.000 0.457 520 I N 1.091 121.633 120.570 -0.047 0.000 2.286 520 I HA -0.114 4.058 4.170 0.002 0.000 0.245 520 I C 1.897 177.974 176.117 -0.066 0.000 1.104 520 I CA 0.887 62.141 61.300 -0.076 0.000 1.397 520 I CB -0.215 37.707 38.000 -0.130 0.000 1.072 520 I HN 0.214 nan 8.210 nan 0.000 0.417 521 L N 0.303 121.490 121.223 -0.060 0.000 2.191 521 L HA -0.207 4.135 4.340 0.002 0.000 0.212 521 L C 2.318 179.172 176.870 -0.027 0.000 1.103 521 L CA 1.199 56.010 54.840 -0.048 0.000 0.769 521 L CB -0.507 41.519 42.059 -0.055 0.000 0.908 521 L HN 0.182 nan 8.230 nan 0.000 0.438 522 K N -0.126 120.267 120.400 -0.012 0.000 2.211 522 K HA -0.176 4.145 4.320 0.002 0.000 0.204 522 K C 1.211 177.794 176.600 -0.029 0.000 1.047 522 K CA 1.131 57.407 56.287 -0.017 0.000 0.935 522 K CB -0.133 32.359 32.500 -0.014 0.000 0.728 522 K HN 0.303 nan 8.250 nan 0.000 0.452 523 D N 0.582 120.961 120.400 -0.035 0.000 2.378 523 D HA -0.043 4.599 4.640 0.002 0.000 0.227 523 D C 0.001 176.276 176.300 -0.041 0.000 1.012 523 D CA 0.463 54.440 54.000 -0.038 0.000 0.905 523 D CB 0.094 40.867 40.800 -0.044 0.000 0.895 523 D HN -0.083 nan 8.370 nan 0.000 0.532 524 V N 2.592 122.480 119.914 -0.043 0.000 2.555 524 V HA 0.106 4.227 4.120 0.002 0.000 0.286 524 V C -1.452 174.616 176.094 -0.043 0.000 1.044 524 V CA -1.311 60.962 62.300 -0.045 0.000 1.026 524 V CB 0.850 32.644 31.823 -0.048 0.000 0.981 524 V HN -0.027 nan 8.190 nan 0.000 0.480 540 N N 8.275 126.611 118.700 -0.606 0.000 2.609 540 N HA 0.398 5.140 4.740 0.002 0.000 0.268 540 N C -2.398 172.717 175.510 -0.659 0.000 1.106 540 N CA -2.289 50.412 53.050 -0.582 0.000 0.823 540 N CB 2.123 40.471 38.487 -0.231 0.000 1.263 540 N HN 0.223 nan 8.380 nan 0.000 0.533 541 P HA -0.135 nan 4.420 nan 0.000 0.215 541 P C 1.642 178.852 177.300 -0.150 0.000 1.157 541 P CA 0.487 63.159 63.100 -0.713 0.000 0.868 541 P CB 0.551 31.784 31.700 -0.777 0.000 0.788 542 L N 0.099 121.247 121.223 -0.124 0.000 2.083 542 L HA -0.122 4.220 4.340 0.002 0.000 0.209 542 L C 2.388 179.282 176.870 0.040 0.000 1.083 542 L CA 1.944 56.792 54.840 0.014 0.000 0.752 542 L CB -1.217 40.831 42.059 -0.017 0.000 0.899 542 L HN -0.168 nan 8.230 nan 0.000 0.433 543 K N -0.472 119.918 120.400 -0.017 0.000 2.026 543 K HA -0.178 4.143 4.320 0.002 0.000 0.208 543 K C 2.126 178.783 176.600 0.095 0.000 1.048 543 K CA 1.923 58.215 56.287 0.008 0.000 0.929 543 K CB -0.228 32.250 32.500 -0.037 0.000 0.713 543 K HN 0.392 nan 8.250 nan 0.000 0.439 544 I N 0.916 121.569 120.570 0.137 0.000 2.163 544 I HA -0.292 3.879 4.170 0.002 0.000 0.243 544 I C 2.563 178.838 176.117 0.263 0.000 1.085 544 I CA 1.500 62.957 61.300 0.261 0.000 1.347 544 I CB -0.345 37.889 38.000 0.390 0.000 1.044 544 I HN 0.396 nan 8.210 nan 0.000 0.408 545 E N 0.879 121.235 120.200 0.260 0.000 2.038 545 E HA -0.246 4.105 4.350 0.002 0.000 0.195 545 E C 2.277 179.009 176.600 0.220 0.000 1.000 545 E CA 2.518 59.047 56.400 0.216 0.000 0.803 545 E CB 0.008 29.863 29.700 0.258 0.000 0.750 545 E HN 0.437 nan 8.360 nan 0.000 0.448 546 V N -0.573 119.451 119.914 0.183 0.000 2.343 546 V HA -0.199 3.922 4.120 0.002 0.000 0.247 546 V C 2.215 178.390 176.094 0.136 0.000 1.051 546 V CA 1.892 64.252 62.300 0.101 0.000 1.036 546 V CB -1.077 30.690 31.823 -0.093 0.000 0.654 546 V HN 0.363 nan 8.190 nan 0.000 0.451 547 F N 1.535 121.484 119.950 -0.001 0.000 2.075 547 F HA -0.086 4.442 4.527 0.002 0.000 0.297 547 F C 2.198 177.989 175.800 -0.015 0.000 1.113 547 F CA 2.271 60.251 58.000 -0.034 0.000 1.218 547 F CB -0.698 38.215 39.000 -0.145 0.000 0.984 547 F HN 0.018 nan 8.300 nan 0.000 0.472 548 V N 0.766 120.511 119.914 -0.282 0.000 2.358 548 V HA -0.254 3.867 4.120 0.002 0.000 0.246 548 V C 2.541 178.541 176.094 -0.157 0.000 1.047 548 V CA 1.903 64.005 62.300 -0.330 0.000 1.035 548 V CB -0.732 31.081 31.823 -0.018 0.000 0.658 548 V HN 0.380 nan 8.190 nan 0.000 0.452 549 Q N -0.048 119.762 119.800 0.017 0.000 2.030 549 Q HA -0.192 4.149 4.340 0.002 0.000 0.204 549 Q C 2.381 178.454 176.000 0.120 0.000 0.986 549 Q CA 2.476 58.362 55.803 0.138 0.000 0.843 549 Q CB -0.723 28.226 28.738 0.351 0.000 0.904 549 Q HN 0.659 nan 8.270 nan 0.000 0.420 550 T N 1.844 116.472 114.554 0.123 0.000 2.770 550 T HA -0.116 4.235 4.350 0.002 0.000 0.263 550 T C 1.914 176.470 174.700 -0.240 0.000 1.039 550 T CA 0.880 62.999 62.100 0.032 0.000 1.142 550 T CB -0.378 68.619 68.868 0.214 0.000 0.868 550 T HN 0.084 nan 8.240 nan 0.000 0.435 551 L N 1.261 122.210 121.223 -0.456 0.000 1.989 551 L HA -0.009 4.333 4.340 0.002 0.000 0.211 551 L C 2.213 178.837 176.870 -0.410 0.000 1.071 551 L CA 1.653 56.017 54.840 -0.793 0.000 0.749 551 L CB -0.891 40.606 42.059 -0.938 0.000 0.890 551 L HN 0.252 nan 8.230 nan 0.000 0.431 552 L N -1.325 119.762 121.223 -0.227 0.000 2.083 552 L HA -0.260 4.081 4.340 0.002 0.000 0.209 552 L C 2.631 179.448 176.870 -0.089 0.000 1.083 552 L CA 1.570 56.380 54.840 -0.050 0.000 0.752 552 L CB -0.868 41.209 42.059 0.030 0.000 0.899 552 L HN 0.491 nan 8.230 nan 0.000 0.433 553 H N 0.442 119.319 119.070 -0.322 0.000 2.352 553 H HA -0.156 4.401 4.556 0.002 0.000 0.299 553 H C 2.100 177.240 175.328 -0.314 0.000 1.097 553 H CA 1.647 57.439 56.048 -0.427 0.000 1.311 553 H CB -0.027 29.226 29.762 -0.848 0.000 1.377 553 H HN 0.189 nan 8.280 nan 0.000 0.504 554 L N -0.484 120.492 121.223 -0.412 0.000 2.313 554 L HA 0.093 4.435 4.340 0.002 0.000 0.214 554 L C 2.059 178.800 176.870 -0.216 0.000 1.119 554 L CA 0.701 55.315 54.840 -0.377 0.000 0.809 554 L CB -0.196 41.690 42.059 -0.288 0.000 0.933 554 L HN 0.410 nan 8.230 nan 0.000 0.449 555 A N -0.520 122.213 122.820 -0.144 0.000 2.379 555 A HA 0.398 4.719 4.320 0.002 0.000 0.236 555 A C 2.061 179.698 177.584 0.089 0.000 1.272 555 A CA 0.557 52.599 52.037 0.009 0.000 0.886 555 A CB -0.223 18.782 19.000 0.008 0.000 0.962 555 A HN 0.256 nan 8.150 nan 0.000 0.504 556 A N 0.316 123.171 122.820 0.058 0.000 2.172 556 A HA -0.079 4.242 4.320 0.002 0.000 0.216 556 A C 1.922 179.608 177.584 0.169 0.000 1.154 556 A CA 1.592 53.792 52.037 0.271 0.000 0.701 556 A CB -0.345 18.739 19.000 0.140 0.000 0.789 556 A HN 0.535 nan 8.150 nan 0.000 0.465 557 K N 0.086 120.486 120.400 -0.000 0.000 2.097 557 K HA -0.077 4.244 4.320 0.002 0.000 0.206 557 K C 0.529 177.029 176.600 -0.167 0.000 1.049 557 K CA 1.394 57.606 56.287 -0.123 0.000 0.933 557 K CB -0.064 32.265 32.500 -0.285 0.000 0.717 557 K HN 0.624 nan 8.250 nan 0.000 0.442 558 S N -2.535 113.059 115.700 -0.177 0.000 2.588 558 S HA 0.248 4.719 4.470 0.002 0.000 0.269 558 S C 0.345 174.888 174.600 -0.095 0.000 1.157 558 S CA -0.992 57.099 58.200 -0.182 0.000 0.824 558 S CB 0.299 63.335 63.200 -0.273 0.000 1.126 558 S HN -0.047 nan 8.310 nan 0.000 0.464 559 F N 2.483 122.193 119.950 -0.401 0.000 2.091 559 F HA -0.089 4.439 4.527 0.002 0.000 0.299 559 F C 3.091 178.330 175.800 -0.936 0.000 1.103 559 F CA 1.910 59.476 58.000 -0.724 0.000 1.228 559 F CB -1.391 37.261 39.000 -0.579 0.000 0.984 559 F HN 0.837 nan 8.300 nan 0.000 0.477 560 S N -1.471 114.079 115.700 -0.250 0.000 2.436 560 S HA -0.154 4.318 4.470 0.002 0.000 0.228 560 S C 1.752 176.373 174.600 0.034 0.000 1.014 560 S CA 0.909 59.050 58.200 -0.099 0.000 0.950 560 S CB -0.813 62.443 63.200 0.093 0.000 0.784 560 S HN 0.342 nan 8.310 nan 0.000 0.504 561 H N 2.130 121.129 119.070 -0.118 0.000 2.352 561 H HA 0.083 4.640 4.556 0.002 0.000 0.299 561 H C 2.481 177.764 175.328 -0.074 0.000 1.097 561 H CA 1.479 57.486 56.048 -0.069 0.000 1.311 561 H CB -0.618 29.107 29.762 -0.062 0.000 1.377 561 H HN 0.410 nan 8.280 nan 0.000 0.504 562 S N -0.294 115.380 115.700 -0.042 0.000 2.368 562 S HA -0.089 4.382 4.470 0.002 0.000 0.224 562 S C 2.061 176.680 174.600 0.031 0.000 1.029 562 S CA 0.927 59.087 58.200 -0.065 0.000 0.988 562 S CB -0.372 62.719 63.200 -0.181 0.000 0.838 562 S HN 0.379 nan 8.310 nan 0.000 0.462 563 F N 1.431 121.377 119.950 -0.006 0.000 2.171 563 F HA -0.109 4.420 4.527 0.002 0.000 0.300 563 F C 2.858 178.659 175.800 0.001 0.000 1.090 563 F CA 0.420 58.402 58.000 -0.029 0.000 1.293 563 F CB -0.374 38.608 39.000 -0.030 0.000 1.013 563 F HN 0.150 nan 8.300 nan 0.000 0.486 564 S N 0.183 115.993 115.700 0.182 0.000 2.356 564 S HA -0.179 4.293 4.470 0.002 0.000 0.223 564 S C 2.307 176.970 174.600 0.105 0.000 1.032 564 S CA 1.063 59.321 58.200 0.098 0.000 1.005 564 S CB -0.476 62.735 63.200 0.018 0.000 0.867 564 S HN 0.372 nan 8.310 nan 0.000 0.449 565 A N 1.476 124.372 122.820 0.128 0.000 1.902 565 A HA -0.034 4.287 4.320 0.002 0.000 0.217 565 A C 2.076 179.874 177.584 0.357 0.000 1.181 565 A CA 1.203 53.384 52.037 0.240 0.000 0.623 565 A CB -0.778 18.302 19.000 0.133 0.000 0.818 565 A HN 0.484 nan 8.150 nan 0.000 0.443 566 L N -1.019 120.351 121.223 0.245 0.000 2.083 566 L HA -0.222 4.120 4.340 0.002 0.000 0.209 566 L C 3.064 180.090 176.870 0.260 0.000 1.083 566 L CA 1.175 56.134 54.840 0.198 0.000 0.752 566 L CB -0.737 41.308 42.059 -0.022 0.000 0.899 566 L HN 0.499 nan 8.230 nan 0.000 0.433 567 A N 0.285 123.212 122.820 0.178 0.000 1.840 567 A HA -0.220 4.101 4.320 0.002 0.000 0.214 567 A C 2.383 180.025 177.584 0.098 0.000 1.198 567 A CA 1.647 53.755 52.037 0.117 0.000 0.608 567 A CB -0.444 18.578 19.000 0.038 0.000 0.839 567 A HN 0.249 nan 8.150 nan 0.000 0.443 568 K N -1.170 119.231 120.400 0.001 0.000 2.034 568 K HA -0.170 4.151 4.320 0.002 0.000 0.214 568 K C 0.487 176.876 176.600 -0.353 0.000 1.051 568 K CA 2.005 58.131 56.287 -0.270 0.000 0.931 568 K CB -0.305 31.904 32.500 -0.486 0.000 0.715 568 K HN 0.443 nan 8.250 nan 0.000 0.446 569 F N -0.041 120.074 119.950 0.275 0.000 2.730 569 F HA 0.128 4.656 4.527 0.002 0.000 0.295 569 F C 1.584 177.617 175.800 0.388 0.000 1.143 569 F CA -0.317 57.861 58.000 0.295 0.000 1.367 569 F CB -0.075 39.152 39.000 0.379 0.000 0.970 569 F HN 0.212 nan 8.300 nan 0.000 0.514 570 H N 1.144 120.422 119.070 0.346 0.000 2.357 570 H HA -0.168 4.390 4.556 0.002 0.000 0.296 570 H C 1.728 177.222 175.328 0.276 0.000 1.108 570 H CA 2.024 58.259 56.048 0.313 0.000 1.273 570 H CB 0.457 30.307 29.762 0.147 0.000 1.367 570 H HN 0.195 nan 8.280 nan 0.000 0.498 571 E N 0.261 120.601 120.200 0.233 0.000 2.110 571 E HA -0.102 4.250 4.350 0.002 0.000 0.193 571 E C 2.596 179.264 176.600 0.112 0.000 0.988 571 E CA 0.821 57.328 56.400 0.178 0.000 0.804 571 E CB -0.172 29.666 29.700 0.231 0.000 0.745 571 E HN 0.378 nan 8.360 nan 0.000 0.458 572 V N 0.322 120.188 119.914 -0.080 0.000 2.323 572 V HA -0.195 3.926 4.120 0.002 0.000 0.244 572 V C 2.124 178.036 176.094 -0.304 0.000 1.041 572 V CA 1.424 63.441 62.300 -0.473 0.000 1.025 572 V CB -0.739 30.482 31.823 -1.002 0.000 0.656 572 V HN 0.117 nan 8.190 nan 0.000 0.451 573 F N 0.455 120.363 119.950 -0.070 0.000 2.091 573 F HA -0.186 4.342 4.527 0.002 0.000 0.299 573 F C 2.550 178.324 175.800 -0.044 0.000 1.103 573 F CA 1.616 59.636 58.000 0.032 0.000 1.228 573 F CB -0.272 38.768 39.000 0.068 0.000 0.984 573 F HN -0.002 nan 8.300 nan 0.000 0.477 574 K N -0.223 120.208 120.400 0.053 0.000 2.211 574 K HA -0.052 4.270 4.320 0.002 0.000 0.203 574 K C 1.915 178.558 176.600 0.072 0.000 1.050 574 K CA 1.462 57.752 56.287 0.005 0.000 0.945 574 K CB -0.762 31.692 32.500 -0.076 0.000 0.732 574 K HN 0.280 nan 8.250 nan 0.000 0.451 575 T N 1.781 116.401 114.554 0.110 0.000 2.814 575 T HA 0.047 4.399 4.350 0.002 0.000 0.254 575 T C 2.054 176.824 174.700 0.116 0.000 1.037 575 T CA 0.542 62.722 62.100 0.133 0.000 1.143 575 T CB -0.154 68.871 68.868 0.261 0.000 0.866 575 T HN 0.058 nan 8.240 nan 0.000 0.431 576 L N 0.821 122.102 121.223 0.097 0.000 2.131 576 L HA 0.020 4.362 4.340 0.002 0.000 0.210 576 L C 2.160 179.134 176.870 0.174 0.000 1.092 576 L CA 0.925 55.827 54.840 0.104 0.000 0.759 576 L CB -0.422 41.648 42.059 0.019 0.000 0.903 576 L HN 0.232 nan 8.230 nan 0.000 0.435 577 A N -1.364 121.553 122.820 0.161 0.000 2.708 577 A HA 0.095 4.416 4.320 0.002 0.000 0.293 577 A C 1.693 179.334 177.584 0.095 0.000 1.303 577 A CA -0.293 51.838 52.037 0.158 0.000 0.949 577 A CB -0.169 18.941 19.000 0.183 0.000 1.121 577 A HN 0.224 nan 8.150 nan 0.000 0.542 578 E N 0.809 121.061 120.200 0.086 0.000 2.106 578 E HA -0.087 4.265 4.350 0.002 0.000 0.192 578 E C 0.999 177.616 176.600 0.028 0.000 0.984 578 E CA 1.086 57.517 56.400 0.052 0.000 0.806 578 E CB 0.106 29.836 29.700 0.051 0.000 0.750 578 E HN 0.746 nan 8.360 nan 0.000 0.458 579 S N 0.303 116.017 115.700 0.024 0.000 2.632 579 S HA 0.093 4.564 4.470 0.002 0.000 0.267 579 S C 0.625 175.181 174.600 -0.073 0.000 1.276 579 S CA -0.836 57.342 58.200 -0.036 0.000 0.998 579 S CB 1.232 64.388 63.200 -0.074 0.000 0.953 579 S HN -0.035 nan 8.310 nan 0.000 0.547 580 D N 1.127 121.466 120.400 -0.101 0.000 2.144 580 D HA -0.069 4.573 4.640 0.002 0.000 0.200 580 D C 1.645 177.851 176.300 -0.157 0.000 0.978 580 D CA 1.364 55.305 54.000 -0.098 0.000 0.833 580 D CB -0.273 40.479 40.800 -0.079 0.000 0.961 580 D HN 0.728 nan 8.370 nan 0.000 0.470 581 E N 0.489 120.495 120.200 -0.324 0.000 2.150 581 E HA -0.048 4.303 4.350 0.002 0.000 0.193 581 E C 2.162 178.469 176.600 -0.488 0.000 0.985 581 E CA 1.015 57.091 56.400 -0.540 0.000 0.814 581 E CB -0.566 28.525 29.700 -1.014 0.000 0.752 581 E HN 0.277 nan 8.360 nan 0.000 0.466 582 G N 1.369 109.968 108.800 -0.336 0.000 2.402 582 G HA2 -0.288 3.673 3.960 0.002 0.000 0.216 582 G HA3 -0.288 3.673 3.960 0.002 0.000 0.216 582 G C 1.350 176.344 174.900 0.157 0.000 1.162 582 G CA 0.768 45.946 45.100 0.131 0.000 0.777 582 G HN 0.174 nan 8.290 nan 0.000 0.539 583 K N -0.451 119.983 120.400 0.057 0.000 2.057 583 K HA 0.008 4.329 4.320 0.002 0.000 0.207 583 K C 2.342 178.966 176.600 0.041 0.000 1.049 583 K CA 0.699 57.015 56.287 0.047 0.000 0.931 583 K CB -0.297 32.204 32.500 0.002 0.000 0.714 583 K HN 0.134 nan 8.250 nan 0.000 0.440 584 L N 0.560 121.811 121.223 0.046 0.000 2.083 584 L HA -0.173 4.169 4.340 0.002 0.000 0.209 584 L C 2.244 179.208 176.870 0.157 0.000 1.083 584 L CA 1.854 56.743 54.840 0.082 0.000 0.752 584 L CB -0.713 41.399 42.059 0.088 0.000 0.899 584 L HN 0.245 nan 8.230 nan 0.000 0.433 585 H N -1.876 117.270 119.070 0.126 0.000 2.436 585 H HA -0.019 4.539 4.556 0.002 0.000 0.294 585 H C 2.125 177.555 175.328 0.170 0.000 1.048 585 H CA 1.188 57.358 56.048 0.202 0.000 1.353 585 H CB 0.144 30.117 29.762 0.353 0.000 1.414 585 H HN 0.051 nan 8.280 nan 0.000 0.536 586 V N 0.532 120.550 119.914 0.173 0.000 2.255 586 V HA -0.286 3.835 4.120 0.002 0.000 0.247 586 V C 2.544 178.627 176.094 -0.019 0.000 1.051 586 V CA 1.980 64.356 62.300 0.126 0.000 1.018 586 V CB -0.667 31.275 31.823 0.199 0.000 0.641 586 V HN 0.387 nan 8.190 nan 0.000 0.445 587 L N -0.369 120.763 121.223 -0.152 0.000 2.046 587 L HA -0.213 4.128 4.340 0.002 0.000 0.208 587 L C 2.728 179.469 176.870 -0.215 0.000 1.077 587 L CA 2.115 56.682 54.840 -0.454 0.000 0.747 587 L CB -0.654 40.821 42.059 -0.973 0.000 0.896 587 L HN 0.302 nan 8.230 nan 0.000 0.432 588 R N 0.017 120.511 120.500 -0.009 0.000 2.081 588 R HA -0.137 4.204 4.340 0.002 0.000 0.235 588 R C 2.132 178.519 176.300 0.145 0.000 1.131 588 R CA 1.568 57.788 56.100 0.199 0.000 0.960 588 R CB -0.184 30.210 30.300 0.156 0.000 0.856 588 R HN 0.142 nan 8.270 nan 0.000 0.436 589 V N 1.365 121.257 119.914 -0.037 0.000 2.379 589 V HA -0.234 3.888 4.120 0.002 0.000 0.245 589 V C 2.535 178.663 176.094 0.055 0.000 1.044 589 V CA 1.730 64.014 62.300 -0.027 0.000 1.036 589 V CB -0.466 31.301 31.823 -0.093 0.000 0.664 589 V HN 0.457 nan 8.190 nan 0.000 0.453 590 M N -0.257 119.388 119.600 0.075 0.000 2.089 590 M HA -0.269 4.212 4.480 0.002 0.000 0.257 590 M C 2.172 178.605 176.300 0.222 0.000 1.071 590 M CA 2.347 57.724 55.300 0.128 0.000 1.096 590 M CB -0.679 31.965 32.600 0.073 0.000 1.330 590 M HN 0.427 nan 8.290 nan 0.000 0.403 591 F N 1.129 121.171 119.950 0.155 0.000 2.186 591 F HA -0.136 4.393 4.527 0.002 0.000 0.299 591 F C 1.972 177.881 175.800 0.181 0.000 1.090 591 F CA 1.749 59.912 58.000 0.271 0.000 1.307 591 F CB -0.367 38.915 39.000 0.471 0.000 1.019 591 F HN 0.281 nan 8.300 nan 0.000 0.489 592 E N -0.359 119.882 120.200 0.069 0.000 2.153 592 E HA -0.173 4.178 4.350 0.002 0.000 0.194 592 E C 2.277 178.776 176.600 -0.168 0.000 0.988 592 E CA 1.419 57.770 56.400 -0.082 0.000 0.811 592 E CB -0.171 29.532 29.700 0.006 0.000 0.746 592 E HN 0.304 nan 8.360 nan 0.000 0.466 593 V N -0.751 119.076 119.914 -0.145 0.000 2.323 593 V HA -0.172 3.950 4.120 0.002 0.000 0.244 593 V C 0.969 176.825 176.094 -0.397 0.000 1.041 593 V CA 1.381 63.497 62.300 -0.306 0.000 1.025 593 V CB -0.206 31.406 31.823 -0.352 0.000 0.656 593 V HN 0.405 nan 8.190 nan 0.000 0.451 594 W N 0.481 121.717 121.300 -0.108 0.000 2.693 594 W HA 0.275 4.937 4.660 0.003 0.000 0.415 594 W C 2.076 178.488 176.519 -0.179 0.000 0.932 594 W CA -0.697 56.592 57.345 -0.092 0.000 2.200 594 W CB 0.219 29.645 29.460 -0.056 0.000 1.188 594 W HN 0.117 nan 8.180 nan 0.000 0.665 595 R N -0.043 120.332 120.500 -0.209 0.000 2.127 595 R HA -0.161 4.181 4.340 0.002 0.000 0.238 595 R C 0.920 177.144 176.300 -0.126 0.000 1.134 595 R CA 1.511 57.354 56.100 -0.428 0.000 0.975 595 R CB -0.589 29.272 30.300 -0.733 0.000 0.865 595 R HN 0.105 nan 8.270 nan 0.000 0.447 596 N N 0.313 119.005 118.700 -0.012 0.000 2.571 596 N HA -0.095 4.646 4.740 0.002 0.000 0.189 596 N C -0.302 175.269 175.510 0.101 0.000 1.154 596 N CA 0.707 53.775 53.050 0.029 0.000 0.907 596 N CB -0.010 38.495 38.487 0.030 0.000 0.977 596 N HN 0.324 nan 8.380 nan 0.000 0.449 597 H N -0.252 118.840 119.070 0.036 0.000 2.429 597 H HA 0.306 4.864 4.556 0.002 0.000 0.231 597 H C -2.023 173.232 175.328 -0.122 0.000 1.416 597 H CA -2.265 53.784 56.048 0.002 0.000 1.443 597 H CB 1.084 30.901 29.762 0.093 0.000 1.591 597 H HN -0.113 nan 8.280 nan 0.000 0.507 598 P HA -0.174 nan 4.420 nan 0.000 0.216 598 P C 1.768 179.016 177.300 -0.086 0.000 1.150 598 P CA 1.168 64.048 63.100 -0.366 0.000 0.837 598 P CB 0.456 31.740 31.700 -0.693 0.000 0.786 599 Q N -1.017 118.828 119.800 0.076 0.000 2.084 599 Q HA -0.213 4.128 4.340 0.002 0.000 0.202 599 Q C 2.082 177.968 176.000 -0.190 0.000 0.978 599 Q CA 1.682 57.539 55.803 0.091 0.000 0.844 599 Q CB -0.444 28.491 28.738 0.328 0.000 0.898 599 Q HN 0.092 nan 8.270 nan 0.000 0.426 600 M N 0.276 119.502 119.600 -0.623 0.000 2.132 600 M HA -0.110 4.372 4.480 0.002 0.000 0.263 600 M C 1.675 177.610 176.300 -0.609 0.000 1.065 600 M CA 1.461 56.171 55.300 -0.984 0.000 1.122 600 M CB -0.190 31.418 32.600 -1.654 0.000 1.365 600 M HN 0.277 nan 8.290 nan 0.000 0.411 601 I N 0.220 120.595 120.570 -0.325 0.000 2.194 601 I HA -0.318 3.853 4.170 0.002 0.000 0.246 601 I C 2.456 178.555 176.117 -0.030 0.000 1.093 601 I CA 1.392 62.663 61.300 -0.048 0.000 1.355 601 I CB -0.865 37.258 38.000 0.205 0.000 1.046 601 I HN 0.453 nan 8.210 nan 0.000 0.413 602 A N 0.545 123.354 122.820 -0.019 0.000 1.873 602 A HA -0.165 4.156 4.320 0.002 0.000 0.215 602 A C 2.422 179.956 177.584 -0.083 0.000 1.186 602 A CA 2.085 54.137 52.037 0.025 0.000 0.616 602 A CB -1.061 17.987 19.000 0.079 0.000 0.823 602 A HN 0.374 nan 8.150 nan 0.000 0.442 603 V N -1.952 117.832 119.914 -0.218 0.000 2.548 603 V HA -0.123 3.998 4.120 0.002 0.000 0.249 603 V C 2.238 178.243 176.094 -0.148 0.000 1.055 603 V CA 1.743 63.909 62.300 -0.224 0.000 1.065 603 V CB -0.926 30.647 31.823 -0.418 0.000 0.681 603 V HN 0.434 nan 8.190 nan 0.000 0.462 604 L N 0.007 121.117 121.223 -0.189 0.000 2.056 604 L HA -0.074 4.267 4.340 0.002 0.000 0.207 604 L C 2.741 179.520 176.870 -0.151 0.000 1.078 604 L CA 1.399 56.161 54.840 -0.131 0.000 0.749 604 L CB -0.638 41.326 42.059 -0.159 0.000 0.901 604 L HN 0.236 nan 8.230 nan 0.000 0.433 605 V N 0.252 120.077 119.914 -0.148 0.000 2.392 605 V HA -0.347 3.775 4.120 0.002 0.000 0.249 605 V C 2.163 178.176 176.094 -0.135 0.000 1.059 605 V CA 2.248 64.451 62.300 -0.162 0.000 1.051 605 V CB -0.546 31.203 31.823 -0.123 0.000 0.658 605 V HN 0.521 nan 8.190 nan 0.000 0.455 606 D N -0.211 120.117 120.400 -0.121 0.000 2.097 606 D HA -0.186 4.456 4.640 0.002 0.000 0.195 606 D C 2.253 178.451 176.300 -0.169 0.000 0.989 606 D CA 1.156 55.080 54.000 -0.126 0.000 0.827 606 D CB -0.042 40.687 40.800 -0.119 0.000 0.966 606 D HN 0.138 nan 8.370 nan 0.000 0.456 607 K N -0.236 120.032 120.400 -0.220 0.000 2.097 607 K HA -0.065 4.257 4.320 0.002 0.000 0.205 607 K C 2.216 178.709 176.600 -0.177 0.000 1.050 607 K CA 0.740 56.876 56.287 -0.253 0.000 0.938 607 K CB -0.281 32.026 32.500 -0.322 0.000 0.718 607 K HN 0.389 nan 8.250 nan 0.000 0.442 608 M N -0.003 119.492 119.600 -0.175 0.000 2.132 608 M HA -0.128 4.354 4.480 0.002 0.000 0.263 608 M C 2.185 178.414 176.300 -0.118 0.000 1.065 608 M CA 1.393 56.592 55.300 -0.167 0.000 1.122 608 M CB -0.320 32.156 32.600 -0.208 0.000 1.365 608 M HN 0.011 nan 8.290 nan 0.000 0.411 609 I N -0.232 120.267 120.570 -0.120 0.000 2.179 609 I HA -0.284 3.887 4.170 0.002 0.000 0.242 609 I C 2.436 178.496 176.117 -0.095 0.000 1.088 609 I CA 1.456 62.696 61.300 -0.101 0.000 1.357 609 I CB -0.335 37.606 38.000 -0.098 0.000 1.051 609 I HN 0.204 nan 8.210 nan 0.000 0.409 610 R N -0.021 120.415 120.500 -0.105 0.000 2.193 610 R HA -0.114 4.227 4.340 0.002 0.000 0.229 610 R C 1.643 177.896 176.300 -0.079 0.000 1.110 610 R CA 1.745 57.785 56.100 -0.100 0.000 0.988 610 R CB -0.380 29.848 30.300 -0.119 0.000 0.871 610 R HN 0.503 nan 8.270 nan 0.000 0.458 611 T N -3.719 110.803 114.554 -0.052 0.000 3.129 611 T HA 0.168 4.519 4.350 0.002 0.000 0.267 611 T C 0.287 175.069 174.700 0.136 0.000 1.018 611 T CA -0.432 61.680 62.100 0.020 0.000 0.903 611 T CB 0.490 69.373 68.868 0.025 0.000 1.067 611 T HN 0.129 nan 8.240 nan 0.000 0.549 612 Q N -0.352 119.468 119.800 0.033 0.000 2.460 612 Q HA -0.177 4.165 4.340 0.002 0.000 0.248 612 Q C 0.894 176.909 176.000 0.026 0.000 0.847 612 Q CA 0.841 56.660 55.803 0.026 0.000 1.214 612 Q CB -2.200 26.567 28.738 0.048 0.000 1.523 612 Q HN 0.651 nan 8.270 nan 0.000 0.602 613 I N -0.668 119.903 120.570 0.001 0.000 2.226 613 I HA -0.154 4.018 4.170 0.002 0.000 0.245 613 I C 1.308 177.415 176.117 -0.017 0.000 1.100 613 I CA 1.516 62.793 61.300 -0.038 0.000 1.374 613 I CB -0.008 37.914 38.000 -0.129 0.000 1.057 613 I HN 0.250 nan 8.210 nan 0.000 0.413 614 V N -1.775 118.110 119.914 -0.049 0.000 3.155 614 V HA 0.624 4.745 4.120 0.002 0.000 0.313 614 V C -1.392 174.668 176.094 -0.057 0.000 1.162 614 V CA -0.926 61.343 62.300 -0.051 0.000 1.048 614 V CB 1.877 33.647 31.823 -0.088 0.000 1.092 614 V HN 0.213 nan 8.190 nan 0.000 0.447 615 D N -1.374 118.993 120.400 -0.054 0.000 2.533 615 D HA 0.441 5.083 4.640 0.002 0.000 0.247 615 D C 0.759 177.023 176.300 -0.061 0.000 1.056 615 D CA -0.239 53.726 54.000 -0.059 0.000 1.054 615 D CB 1.106 41.876 40.800 -0.049 0.000 1.400 615 D HN 0.533 nan 8.370 nan 0.000 0.533 616 C N 0.124 119.383 119.300 -0.069 0.000 2.401 616 C HA -0.015 4.446 4.460 0.002 0.000 0.276 616 C C 2.828 177.781 174.990 -0.062 0.000 1.233 616 C CA 1.566 60.540 59.018 -0.074 0.000 1.753 616 C CB -1.513 26.172 27.740 -0.091 0.000 2.029 616 C HN 0.792 nan 8.230 nan 0.000 0.478 617 A N 0.720 123.507 122.820 -0.056 0.000 1.883 617 A HA -0.020 4.302 4.320 0.002 0.000 0.217 617 A C 2.412 179.988 177.584 -0.013 0.000 1.186 617 A CA 2.410 54.420 52.037 -0.044 0.000 0.624 617 A CB -1.103 17.871 19.000 -0.043 0.000 0.822 617 A HN 0.618 nan 8.150 nan 0.000 0.444 618 A N -0.664 122.149 122.820 -0.012 0.000 1.892 618 A HA -0.084 4.237 4.320 0.002 0.000 0.218 618 A C 2.270 179.893 177.584 0.065 0.000 1.188 618 A CA 2.091 54.136 52.037 0.012 0.000 0.631 618 A CB -1.055 17.935 19.000 -0.017 0.000 0.822 618 A HN 0.453 nan 8.150 nan 0.000 0.447 619 V N -0.297 119.642 119.914 0.042 0.000 2.307 619 V HA -0.229 3.893 4.120 0.002 0.000 0.245 619 V C 3.072 179.276 176.094 0.185 0.000 1.045 619 V CA 1.893 64.273 62.300 0.134 0.000 1.024 619 V CB -1.330 30.523 31.823 0.051 0.000 0.651 619 V HN 0.649 nan 8.190 nan 0.000 0.449 620 A N 0.520 123.385 122.820 0.074 0.000 1.873 620 A HA -0.299 4.022 4.320 0.002 0.000 0.218 620 A C 2.102 179.801 177.584 0.192 0.000 1.193 620 A CA 2.355 54.447 52.037 0.091 0.000 0.629 620 A CB -0.806 18.195 19.000 0.001 0.000 0.826 620 A HN 0.598 nan 8.150 nan 0.000 0.447 621 N N -1.537 117.241 118.700 0.131 0.000 2.120 621 N HA -0.205 4.536 4.740 0.002 0.000 0.188 621 N C 1.489 177.103 175.510 0.173 0.000 1.024 621 N CA 1.683 54.813 53.050 0.133 0.000 0.852 621 N CB -0.558 37.974 38.487 0.076 0.000 1.003 621 N HN 0.803 nan 8.380 nan 0.000 0.424 622 W N 2.437 123.722 121.300 -0.025 0.000 2.338 622 W HA -0.049 4.612 4.660 0.002 0.000 0.304 622 W C 1.855 178.285 176.519 -0.148 0.000 1.212 622 W CA 0.866 58.167 57.345 -0.073 0.000 1.264 622 W CB -0.291 29.120 29.460 -0.081 0.000 1.142 622 W HN -0.075 nan 8.180 nan 0.000 0.512 623 I N -0.057 120.326 120.570 -0.311 0.000 2.286 623 I HA -0.264 3.908 4.170 0.002 0.000 0.248 623 I C 1.434 177.121 176.117 -0.717 0.000 1.115 623 I CA 1.589 62.416 61.300 -0.787 0.000 1.392 623 I CB -1.541 35.976 38.000 -0.806 0.000 1.065 623 I HN -0.068 nan 8.210 nan 0.000 0.418 624 F N 1.204 120.985 119.950 -0.281 0.000 2.664 624 F HA 0.085 4.613 4.527 0.002 0.000 0.301 624 F C 1.574 177.227 175.800 -0.244 0.000 1.126 624 F CA -0.401 57.454 58.000 -0.242 0.000 1.373 624 F CB -0.366 38.511 39.000 -0.205 0.000 1.042 624 F HN -0.051 nan 8.300 nan 0.000 0.535 625 S N -1.191 114.420 115.700 -0.150 0.000 2.652 625 S HA 0.157 4.628 4.470 0.002 0.000 0.270 625 S C 1.583 176.099 174.600 -0.141 0.000 1.243 625 S CA -0.085 58.054 58.200 -0.101 0.000 0.999 625 S CB 1.530 64.696 63.200 -0.056 0.000 0.973 625 S HN 0.211 nan 8.310 nan 0.000 0.544 626 S N 0.899 116.557 115.700 -0.070 0.000 2.383 626 S HA -0.200 4.272 4.470 0.002 0.000 0.229 626 S C 1.376 175.948 174.600 -0.047 0.000 1.030 626 S CA 1.624 59.791 58.200 -0.055 0.000 1.002 626 S CB -0.896 62.295 63.200 -0.014 0.000 0.829 626 S HN 0.789 nan 8.310 nan 0.000 0.467 627 E N 0.747 120.925 120.200 -0.037 0.000 2.209 627 E HA 0.059 4.411 4.350 0.002 0.000 0.196 627 E C 1.612 178.135 176.600 -0.129 0.000 0.993 627 E CA 0.783 57.180 56.400 -0.005 0.000 0.819 627 E CB -0.160 29.585 29.700 0.076 0.000 0.745 627 E HN 0.425 nan 8.360 nan 0.000 0.477 628 L N -0.014 121.019 121.223 -0.316 0.000 2.607 628 L HA 0.171 4.512 4.340 0.002 0.000 0.228 628 L C 1.607 178.381 176.870 -0.161 0.000 1.123 628 L CA 0.412 54.986 54.840 -0.442 0.000 0.890 628 L CB -0.222 41.376 42.059 -0.769 0.000 1.103 628 L HN 0.109 nan 8.230 nan 0.000 0.468 629 S N 0.447 116.098 115.700 -0.082 0.000 2.368 629 S HA -0.162 4.309 4.470 0.002 0.000 0.225 629 S C 1.975 176.651 174.600 0.126 0.000 1.030 629 S CA 1.373 59.572 58.200 -0.001 0.000 0.999 629 S CB 0.029 63.208 63.200 -0.034 0.000 0.844 629 S HN 0.442 nan 8.310 nan 0.000 0.459 630 R N 0.842 121.414 120.500 0.120 0.000 2.189 630 R HA 0.033 4.374 4.340 0.002 0.000 0.223 630 R C 0.756 177.179 176.300 0.204 0.000 1.092 630 R CA 1.168 57.367 56.100 0.164 0.000 0.989 630 R CB -0.025 30.366 30.300 0.152 0.000 0.876 630 R HN 0.285 nan 8.270 nan 0.000 0.457 631 D N -0.798 119.713 120.400 0.185 0.000 2.395 631 D HA -0.005 4.636 4.640 0.002 0.000 0.213 631 D C 0.707 177.025 176.300 0.031 0.000 1.110 631 D CA -0.021 54.085 54.000 0.176 0.000 0.835 631 D CB 0.213 41.190 40.800 0.295 0.000 0.965 631 D HN 0.071 nan 8.370 nan 0.000 0.505 632 F N 2.235 122.143 119.950 -0.071 0.000 2.216 632 F HA -0.165 4.364 4.527 0.002 0.000 0.300 632 F C 2.216 178.066 175.800 0.084 0.000 1.085 632 F CA 1.406 59.328 58.000 -0.129 0.000 1.326 632 F CB -0.116 38.897 39.000 0.022 0.000 1.027 632 F HN -0.094 nan 8.300 nan 0.000 0.497 633 T N -1.259 113.389 114.554 0.156 0.000 3.219 633 T HA 0.189 4.540 4.350 0.002 0.000 0.249 633 T C 0.766 175.540 174.700 0.124 0.000 1.099 633 T CA -0.382 61.782 62.100 0.107 0.000 0.988 633 T CB -0.467 68.468 68.868 0.112 0.000 0.999 633 T HN 0.040 nan 8.240 nan 0.000 0.550 634 R N 0.331 120.864 120.500 0.055 0.000 2.404 634 R HA 0.405 4.746 4.340 0.002 0.000 0.291 634 R C 0.862 177.196 176.300 0.058 0.000 1.025 634 R CA -0.789 55.356 56.100 0.076 0.000 0.991 634 R CB 1.216 31.603 30.300 0.145 0.000 1.053 634 R HN 0.059 nan 8.270 nan 0.000 0.479 635 L N 3.401 124.730 121.223 0.176 0.000 2.043 635 L HA -0.239 4.103 4.340 0.002 0.000 0.212 635 L C 2.052 179.005 176.870 0.138 0.000 1.075 635 L CA 1.894 56.862 54.840 0.213 0.000 0.752 635 L CB -0.703 41.478 42.059 0.204 0.000 0.891 635 L HN 0.769 nan 8.230 nan 0.000 0.432 636 F N -2.277 117.727 119.950 0.089 0.000 2.161 636 F HA -0.148 4.381 4.527 0.002 0.000 0.300 636 F C 2.014 177.788 175.800 -0.042 0.000 1.089 636 F CA 1.448 59.483 58.000 0.059 0.000 1.282 636 F CB -1.576 37.474 39.000 0.082 0.000 1.010 636 F HN -0.115 nan 8.300 nan 0.000 0.485 637 V N 0.283 119.468 119.914 -1.216 0.000 2.287 637 V HA -0.304 3.817 4.120 0.002 0.000 0.248 637 V C 2.142 177.672 176.094 -0.941 0.000 1.053 637 V CA 2.254 63.791 62.300 -1.271 0.000 1.027 637 V CB -1.069 29.786 31.823 -1.613 0.000 0.646 637 V HN 0.562 nan 8.190 nan 0.000 0.447 638 W N 0.075 121.199 121.300 -0.293 0.000 2.436 638 W HA -0.017 4.644 4.660 0.002 0.000 0.284 638 W C 2.437 179.035 176.519 0.131 0.000 1.225 638 W CA 0.762 58.059 57.345 -0.081 0.000 1.271 638 W CB -0.290 29.154 29.460 -0.027 0.000 1.114 638 W HN 0.215 nan 8.180 nan 0.000 0.559 639 E N 0.673 121.011 120.200 0.230 0.000 2.077 639 E HA -0.211 4.140 4.350 0.002 0.000 0.193 639 E C 1.993 178.690 176.600 0.161 0.000 0.989 639 E CA 1.512 58.047 56.400 0.224 0.000 0.800 639 E CB -0.401 29.420 29.700 0.202 0.000 0.746 639 E HN 0.299 nan 8.360 nan 0.000 0.452 640 I N 0.615 121.231 120.570 0.076 0.000 2.226 640 I HA -0.250 3.922 4.170 0.002 0.000 0.245 640 I C 2.424 178.540 176.117 -0.002 0.000 1.100 640 I CA 0.498 61.835 61.300 0.060 0.000 1.374 640 I CB -0.124 37.937 38.000 0.101 0.000 1.057 640 I HN 0.168 nan 8.210 nan 0.000 0.413 641 L N 0.416 121.570 121.223 -0.116 0.000 2.017 641 L HA -0.248 4.093 4.340 0.002 0.000 0.208 641 L C 2.628 179.393 176.870 -0.175 0.000 1.073 641 L CA 2.045 56.766 54.840 -0.198 0.000 0.745 641 L CB -0.954 40.902 42.059 -0.339 0.000 0.894 641 L HN 0.256 nan 8.230 nan 0.000 0.432 642 H N -1.566 117.564 119.070 0.101 0.000 2.423 642 H HA -0.077 4.480 4.556 0.002 0.000 0.297 642 H C 2.448 177.843 175.328 0.111 0.000 1.075 642 H CA 1.383 57.523 56.048 0.153 0.000 1.342 642 H CB -0.204 29.683 29.762 0.208 0.000 1.395 642 H HN 0.452 nan 8.280 nan 0.000 0.530 643 S N 0.030 115.831 115.700 0.167 0.000 2.382 643 S HA -0.126 4.345 4.470 0.002 0.000 0.228 643 S C 2.127 176.756 174.600 0.047 0.000 1.027 643 S CA 1.623 59.889 58.200 0.109 0.000 0.991 643 S CB -0.163 63.089 63.200 0.087 0.000 0.823 643 S HN 0.408 nan 8.310 nan 0.000 0.469 644 T N 2.436 116.991 114.554 0.002 0.000 2.737 644 T HA 0.049 4.400 4.350 0.002 0.000 0.265 644 T C 1.712 176.365 174.700 -0.077 0.000 1.038 644 T CA 1.515 63.588 62.100 -0.046 0.000 1.144 644 T CB -0.369 68.458 68.868 -0.068 0.000 0.866 644 T HN 0.415 nan 8.240 nan 0.000 0.434 645 I N 0.654 121.151 120.570 -0.122 0.000 2.208 645 I HA -0.193 3.978 4.170 0.002 0.000 0.245 645 I C 2.844 178.926 176.117 -0.058 0.000 1.097 645 I CA 1.351 62.522 61.300 -0.214 0.000 1.363 645 I CB -0.378 37.383 38.000 -0.398 0.000 1.051 645 I HN 0.108 nan 8.210 nan 0.000 0.413 646 R N 0.846 121.385 120.500 0.064 0.000 2.105 646 R HA -0.168 4.173 4.340 0.002 0.000 0.239 646 R C 2.318 178.667 176.300 0.082 0.000 1.135 646 R CA 1.369 57.545 56.100 0.126 0.000 0.967 646 R CB -0.145 30.250 30.300 0.159 0.000 0.861 646 R HN 0.379 nan 8.270 nan 0.000 0.442 647 K N -0.111 120.316 120.400 0.045 0.000 2.097 647 K HA -0.139 4.182 4.320 0.002 0.000 0.205 647 K C 2.027 178.658 176.600 0.052 0.000 1.050 647 K CA 1.265 57.574 56.287 0.035 0.000 0.938 647 K CB -0.120 32.377 32.500 -0.005 0.000 0.718 647 K HN 0.036 nan 8.250 nan 0.000 0.442 648 M N 1.914 121.529 119.600 0.024 0.000 2.080 648 M HA -0.169 4.312 4.480 0.002 0.000 0.260 648 M C 1.364 177.741 176.300 0.128 0.000 1.068 648 M CA 1.713 57.047 55.300 0.058 0.000 1.109 648 M CB -0.275 32.324 32.600 -0.001 0.000 1.342 648 M HN 0.020 nan 8.290 nan 0.000 0.405 649 N N 0.313 119.081 118.700 0.114 0.000 2.120 649 N HA -0.142 4.599 4.740 0.002 0.000 0.188 649 N C 1.632 177.213 175.510 0.118 0.000 1.024 649 N CA 1.475 54.608 53.050 0.137 0.000 0.852 649 N CB -0.416 38.165 38.487 0.156 0.000 1.003 649 N HN 0.492 nan 8.380 nan 0.000 0.424 650 K N -0.216 120.253 120.400 0.115 0.000 2.148 650 K HA -0.148 4.173 4.320 0.002 0.000 0.204 650 K C 1.870 178.535 176.600 0.109 0.000 1.050 650 K CA 0.887 57.233 56.287 0.098 0.000 0.942 650 K CB -0.197 32.358 32.500 0.090 0.000 0.724 650 K HN 0.309 nan 8.250 nan 0.000 0.446 651 H N 0.896 119.985 119.070 0.033 0.000 2.321 651 H HA -0.073 4.484 4.556 0.002 0.000 0.300 651 H C 1.822 177.170 175.328 0.033 0.000 1.087 651 H CA 1.578 57.642 56.048 0.027 0.000 1.319 651 H CB -0.181 29.593 29.762 0.020 0.000 1.379 651 H HN -0.135 nan 8.280 nan 0.000 0.501 652 V N 0.811 120.730 119.914 0.009 0.000 2.255 652 V HA -0.293 3.829 4.120 0.002 0.000 0.247 652 V C 2.774 178.838 176.094 -0.049 0.000 1.051 652 V CA 2.012 64.288 62.300 -0.039 0.000 1.018 652 V CB -0.796 31.062 31.823 0.059 0.000 0.641 652 V HN 0.411 nan 8.190 nan 0.000 0.445 653 L N -0.174 121.047 121.223 -0.002 0.000 2.013 653 L HA -0.273 4.069 4.340 0.002 0.000 0.212 653 L C 2.659 179.514 176.870 -0.024 0.000 1.073 653 L CA 2.254 57.094 54.840 -0.001 0.000 0.753 653 L CB -0.687 41.386 42.059 0.024 0.000 0.890 653 L HN 0.360 nan 8.230 nan 0.000 0.432 654 K N 0.769 121.146 120.400 -0.038 0.000 2.063 654 K HA -0.203 4.119 4.320 0.002 0.000 0.208 654 K C 2.056 178.610 176.600 -0.078 0.000 1.048 654 K CA 1.581 57.841 56.287 -0.046 0.000 0.928 654 K CB -0.109 32.373 32.500 -0.030 0.000 0.713 654 K HN 0.275 nan 8.250 nan 0.000 0.442 655 I N 0.843 121.324 120.570 -0.148 0.000 2.315 655 I HA -0.254 3.917 4.170 0.002 0.000 0.248 655 I C 2.474 178.549 176.117 -0.069 0.000 1.117 655 I CA 1.109 62.330 61.300 -0.132 0.000 1.404 655 I CB -0.249 37.628 38.000 -0.206 0.000 1.071 655 I HN 0.310 nan 8.210 nan 0.000 0.419 656 Q N 0.722 120.489 119.800 -0.056 0.000 2.084 656 Q HA -0.277 4.064 4.340 0.002 0.000 0.202 656 Q C 2.185 178.173 176.000 -0.020 0.000 0.978 656 Q CA 1.721 57.508 55.803 -0.027 0.000 0.844 656 Q CB -0.123 28.606 28.738 -0.015 0.000 0.898 656 Q HN 0.204 nan 8.270 nan 0.000 0.426 657 K N 1.194 121.582 120.400 -0.020 0.000 2.057 657 K HA -0.202 4.120 4.320 0.002 0.000 0.207 657 K C 1.711 178.304 176.600 -0.012 0.000 1.049 657 K CA 1.602 57.882 56.287 -0.012 0.000 0.931 657 K CB -0.054 32.441 32.500 -0.007 0.000 0.714 657 K HN 0.170 nan 8.250 nan 0.000 0.440 658 E N -0.458 119.731 120.200 -0.018 0.000 2.107 658 E HA -0.148 4.203 4.350 0.002 0.000 0.191 658 E C 1.861 178.454 176.600 -0.012 0.000 0.982 658 E CA 0.914 57.305 56.400 -0.015 0.000 0.809 658 E CB -0.071 29.617 29.700 -0.019 0.000 0.756 658 E HN 0.276 nan 8.360 nan 0.000 0.459 659 L N 1.411 122.625 121.223 -0.015 0.000 2.093 659 L HA -0.145 4.197 4.340 0.002 0.000 0.208 659 L C 1.741 178.607 176.870 -0.006 0.000 1.085 659 L CA 1.781 56.615 54.840 -0.010 0.000 0.755 659 L CB -0.115 41.938 42.059 -0.010 0.000 0.904 659 L HN 0.053 nan 8.230 nan 0.000 0.435 660 E N -0.513 119.683 120.200 -0.007 0.000 2.150 660 E HA -0.209 4.142 4.350 0.002 0.000 0.193 660 E C 1.928 178.525 176.600 -0.004 0.000 0.985 660 E CA 1.406 57.803 56.400 -0.005 0.000 0.814 660 E CB -0.022 29.675 29.700 -0.005 0.000 0.752 660 E HN 0.624 nan 8.360 nan 0.000 0.466 661 E N -0.088 120.110 120.200 -0.004 0.000 2.318 661 E HA 0.024 4.375 4.350 0.002 0.000 0.193 661 E C 1.827 178.425 176.600 -0.002 0.000 0.998 661 E CA 0.470 56.869 56.400 -0.003 0.000 0.859 661 E CB 0.217 29.916 29.700 -0.002 0.000 0.812 661 E HN 0.204 nan 8.360 nan 0.000 0.492 662 A N 1.556 124.374 122.820 -0.002 0.000 1.898 662 A HA -0.126 4.195 4.320 0.002 0.000 0.214 662 A C 1.905 179.488 177.584 -0.001 0.000 1.183 662 A CA 1.021 53.057 52.037 -0.002 0.000 0.622 662 A CB -0.063 18.936 19.000 -0.002 0.000 0.824 662 A HN -0.012 nan 8.150 nan 0.000 0.444 663 K N -0.185 120.215 120.400 -0.002 0.000 2.025 663 K HA -0.141 4.180 4.320 0.002 0.000 0.207 663 K C 1.949 178.548 176.600 -0.002 0.000 1.049 663 K CA 1.617 57.903 56.287 -0.001 0.000 0.933 663 K CB -0.205 32.294 32.500 -0.002 0.000 0.714 663 K HN 0.560 nan 8.250 nan 0.000 0.438 664 E N 0.808 121.007 120.200 -0.002 0.000 2.160 664 E HA -0.214 4.137 4.350 0.002 0.000 0.195 664 E C 1.908 178.507 176.600 -0.002 0.000 0.991 664 E CA 1.107 57.506 56.400 -0.002 0.000 0.810 664 E CB 0.067 29.765 29.700 -0.002 0.000 0.742 664 E HN 0.183 nan 8.360 nan 0.000 0.466 665 K N 0.834 121.233 120.400 -0.001 0.000 2.288 665 K HA -0.025 4.296 4.320 0.002 0.000 0.201 665 K C 0.969 177.569 176.600 -0.000 0.000 1.048 665 K CA 0.254 56.540 56.287 -0.001 0.000 0.956 665 K CB 0.105 32.605 32.500 -0.000 0.000 0.746 665 K HN 0.101 nan 8.250 nan 0.000 0.461 666 L N 2.017 123.240 121.223 -0.001 0.000 2.533 666 L HA 0.204 4.546 4.340 0.002 0.000 0.239 666 L C -0.664 176.206 176.870 -0.001 0.000 1.376 666 L CA -0.226 54.614 54.840 -0.000 0.000 1.240 666 L CB -0.289 41.770 42.059 -0.000 0.000 1.487 666 L HN 0.351 nan 8.230 nan 0.000 0.419 684 K N 0.944 121.345 120.400 0.002 0.000 2.063 684 K HA -0.130 4.192 4.320 0.002 0.000 0.208 684 K C 0.912 177.513 176.600 0.002 0.000 1.048 684 K CA 2.140 58.428 56.287 0.002 0.000 0.928 684 K CB -0.124 32.377 32.500 0.001 0.000 0.713 684 K HN 0.248 nan 8.250 nan 0.000 0.442 685 D N -0.188 120.213 120.400 0.002 0.000 2.078 685 D HA -0.114 4.527 4.640 0.002 0.000 0.193 685 D C 1.990 178.291 176.300 0.002 0.000 0.990 685 D CA 1.490 55.491 54.000 0.001 0.000 0.827 685 D CB -0.797 40.004 40.800 0.001 0.000 0.975 685 D HN 0.315 nan 8.370 nan 0.000 0.451 686 G N 0.910 109.711 108.800 0.002 0.000 2.513 686 G HA2 -0.273 3.688 3.960 0.002 0.000 0.219 686 G HA3 -0.273 3.688 3.960 0.002 0.000 0.219 686 G C 1.864 176.765 174.900 0.003 0.000 1.160 686 G CA 1.309 46.410 45.100 0.002 0.000 0.767 686 G HN 0.260 nan 8.290 nan 0.000 0.571 687 V N 0.491 120.407 119.914 0.003 0.000 2.343 687 V HA -0.130 3.992 4.120 0.002 0.000 0.247 687 V C 2.682 178.778 176.094 0.003 0.000 1.051 687 V CA 1.643 63.945 62.300 0.003 0.000 1.036 687 V CB -0.438 31.386 31.823 0.003 0.000 0.654 687 V HN 0.336 nan 8.190 nan 0.000 0.451 688 L N 0.259 121.483 121.223 0.002 0.000 2.056 688 L HA -0.114 4.227 4.340 0.002 0.000 0.207 688 L C 2.381 179.252 176.870 0.002 0.000 1.078 688 L CA 1.840 56.681 54.840 0.002 0.000 0.749 688 L CB -0.756 41.304 42.059 0.002 0.000 0.901 688 L HN 0.376 nan 8.230 nan 0.000 0.433 689 E N -0.615 119.586 120.200 0.002 0.000 2.058 689 E HA -0.275 4.077 4.350 0.002 0.000 0.194 689 E C 2.045 178.647 176.600 0.003 0.000 0.997 689 E CA 1.508 57.910 56.400 0.003 0.000 0.801 689 E CB -0.088 29.614 29.700 0.003 0.000 0.746 689 E HN 0.467 nan 8.360 nan 0.000 0.450 690 E N 0.812 121.015 120.200 0.004 0.000 2.110 690 E HA -0.198 4.154 4.350 0.002 0.000 0.193 690 E C 2.021 178.624 176.600 0.005 0.000 0.988 690 E CA 1.176 57.578 56.400 0.005 0.000 0.804 690 E CB 0.016 29.718 29.700 0.005 0.000 0.745 690 E HN 0.263 nan 8.360 nan 0.000 0.458 691 Q N -0.347 119.455 119.800 0.004 0.000 2.079 691 Q HA -0.132 4.209 4.340 0.002 0.000 0.200 691 Q C 1.967 177.969 176.000 0.003 0.000 0.974 691 Q CA 0.883 56.688 55.803 0.004 0.000 0.840 691 Q CB -0.051 28.689 28.738 0.003 0.000 0.898 691 Q HN 0.274 nan 8.270 nan 0.000 0.430 692 I N 1.436 122.008 120.570 0.003 0.000 2.163 692 I HA -0.261 3.911 4.170 0.002 0.000 0.243 692 I C 2.025 178.144 176.117 0.004 0.000 1.085 692 I CA 1.622 62.923 61.300 0.002 0.000 1.347 692 I CB -1.185 36.816 38.000 0.002 0.000 1.044 692 I HN 0.298 nan 8.210 nan 0.000 0.408 693 E N 0.434 120.637 120.200 0.005 0.000 2.070 693 E HA -0.227 4.125 4.350 0.002 0.000 0.197 693 E C 2.210 178.815 176.600 0.007 0.000 1.004 693 E CA 1.111 57.514 56.400 0.006 0.000 0.805 693 E CB -0.110 29.594 29.700 0.007 0.000 0.744 693 E HN 0.414 nan 8.360 nan 0.000 0.451 694 R N 0.503 121.007 120.500 0.007 0.000 2.115 694 R HA -0.036 4.305 4.340 0.002 0.000 0.226 694 R C 2.374 178.679 176.300 0.008 0.000 1.100 694 R CA 0.688 56.793 56.100 0.009 0.000 0.980 694 R CB -0.777 29.529 30.300 0.009 0.000 0.875 694 R HN 0.264 nan 8.270 nan 0.000 0.445 695 L N 0.705 121.931 121.223 0.004 0.000 2.072 695 L HA -0.134 4.207 4.340 0.002 0.000 0.205 695 L C 2.717 179.587 176.870 -0.000 0.000 1.079 695 L CA 1.217 56.057 54.840 -0.001 0.000 0.752 695 L CB -0.328 41.729 42.059 -0.004 0.000 0.906 695 L HN 0.165 nan 8.230 nan 0.000 0.436 696 Q N -0.120 119.682 119.800 0.003 0.000 2.096 696 Q HA -0.288 4.053 4.340 0.002 0.000 0.204 696 Q C 2.093 178.100 176.000 0.010 0.000 0.982 696 Q CA 1.872 57.679 55.803 0.006 0.000 0.850 696 Q CB 0.027 28.769 28.738 0.008 0.000 0.901 696 Q HN 0.378 nan 8.270 nan 0.000 0.422 697 E N -0.071 120.136 120.200 0.012 0.000 2.204 697 E HA -0.207 4.144 4.350 0.002 0.000 0.195 697 E C 1.681 178.292 176.600 0.019 0.000 0.990 697 E CA 0.882 57.292 56.400 0.016 0.000 0.821 697 E CB 0.125 29.834 29.700 0.016 0.000 0.750 697 E HN 0.118 nan 8.360 nan 0.000 0.477 698 K N -0.201 120.208 120.400 0.015 0.000 2.243 698 K HA -0.031 4.290 4.320 0.002 0.000 0.201 698 K C 1.922 178.527 176.600 0.009 0.000 1.051 698 K CA 0.456 56.753 56.287 0.018 0.000 0.970 698 K CB 0.336 32.844 32.500 0.013 0.000 0.755 698 K HN 0.007 nan 8.250 nan 0.000 0.465 699 V N 2.017 121.930 119.914 -0.000 0.000 2.237 699 V HA -0.257 3.864 4.120 0.002 0.000 0.245 699 V C 1.926 178.034 176.094 0.024 0.000 1.046 699 V CA 1.918 64.217 62.300 -0.001 0.000 1.007 699 V CB -0.416 31.407 31.823 -0.001 0.000 0.638 699 V HN 0.384 nan 8.190 nan 0.000 0.445 700 E N 0.229 120.446 120.200 0.028 0.000 2.097 700 E HA -0.216 4.135 4.350 0.002 0.000 0.196 700 E C 2.370 178.996 176.600 0.045 0.000 1.000 700 E CA 1.759 58.182 56.400 0.038 0.000 0.804 700 E CB -0.264 29.455 29.700 0.033 0.000 0.740 700 E HN 0.550 nan 8.360 nan 0.000 0.454 701 S N 0.669 116.395 115.700 0.042 0.000 2.383 701 S HA -0.111 4.360 4.470 0.002 0.000 0.227 701 S C 2.124 176.766 174.600 0.069 0.000 1.026 701 S CA 0.871 59.101 58.200 0.050 0.000 0.981 701 S CB -0.119 63.110 63.200 0.048 0.000 0.818 701 S HN 0.386 nan 8.310 nan 0.000 0.472 702 A N 1.535 124.400 122.820 0.075 0.000 1.902 702 A HA -0.155 4.166 4.320 0.002 0.000 0.217 702 A C 2.126 179.774 177.584 0.107 0.000 1.181 702 A CA 1.285 53.388 52.037 0.110 0.000 0.623 702 A CB -0.587 18.441 19.000 0.046 0.000 0.818 702 A HN 0.515 nan 8.150 nan 0.000 0.443 703 Q N -0.618 119.235 119.800 0.089 0.000 2.119 703 Q HA -0.134 4.208 4.340 0.002 0.000 0.201 703 Q C 2.465 178.534 176.000 0.115 0.000 0.972 703 Q CA 1.605 57.477 55.803 0.115 0.000 0.847 703 Q CB -0.254 28.547 28.738 0.105 0.000 0.903 703 Q HN 0.730 nan 8.270 nan 0.000 0.433 704 S N 0.720 116.466 115.700 0.078 0.000 2.382 704 S HA -0.215 4.257 4.470 0.002 0.000 0.228 704 S C 1.817 176.439 174.600 0.037 0.000 1.027 704 S CA 1.261 59.489 58.200 0.048 0.000 0.991 704 S CB -0.077 63.145 63.200 0.036 0.000 0.823 704 S HN 0.351 nan 8.310 nan 0.000 0.469 705 E N 0.243 120.475 120.200 0.054 0.000 2.110 705 E HA -0.210 4.141 4.350 0.002 0.000 0.193 705 E C 2.282 178.911 176.600 0.048 0.000 0.988 705 E CA 1.178 57.603 56.400 0.042 0.000 0.804 705 E CB -0.206 29.526 29.700 0.053 0.000 0.745 705 E HN 0.780 nan 8.360 nan 0.000 0.458 706 Q N 0.885 120.748 119.800 0.105 0.000 2.016 706 Q HA -0.219 4.122 4.340 0.002 0.000 0.200 706 Q C 2.190 178.320 176.000 0.216 0.000 0.978 706 Q CA 1.654 57.564 55.803 0.179 0.000 0.833 706 Q CB -0.041 28.855 28.738 0.264 0.000 0.895 706 Q HN 0.024 nan 8.270 nan 0.000 0.427 707 K N 0.397 120.854 120.400 0.094 0.000 2.034 707 K HA -0.291 4.030 4.320 0.002 0.000 0.214 707 K C 1.894 178.403 176.600 -0.151 0.000 1.051 707 K CA 1.979 58.097 56.287 -0.282 0.000 0.931 707 K CB -0.304 31.965 32.500 -0.386 0.000 0.715 707 K HN 0.211 nan 8.250 nan 0.000 0.446 708 N N 0.295 118.949 118.700 -0.076 0.000 2.094 708 N HA -0.225 4.516 4.740 0.002 0.000 0.191 708 N C 1.759 177.227 175.510 -0.070 0.000 1.023 708 N CA 1.500 54.513 53.050 -0.061 0.000 0.857 708 N CB -0.234 38.227 38.487 -0.043 0.000 1.013 708 N HN 0.241 nan 8.380 nan 0.000 0.426 709 L N -0.493 120.682 121.223 -0.080 0.000 2.012 709 L HA -0.026 4.315 4.340 0.002 0.000 0.210 709 L C 1.743 178.449 176.870 -0.275 0.000 1.073 709 L CA 1.685 56.415 54.840 -0.184 0.000 0.748 709 L CB -0.954 40.958 42.059 -0.245 0.000 0.891 709 L HN 0.207 nan 8.230 nan 0.000 0.431 710 F N -1.337 118.508 119.950 -0.176 0.000 2.134 710 F HA -0.230 4.298 4.527 0.002 0.000 0.299 710 F C 2.180 177.810 175.800 -0.283 0.000 1.097 710 F CA 1.059 58.882 58.000 -0.295 0.000 1.264 710 F CB -0.540 38.410 39.000 -0.082 0.000 1.001 710 F HN 0.082 nan 8.300 nan 0.000 0.479 711 L N -0.259 120.997 121.223 0.055 0.000 1.989 711 L HA -0.217 4.125 4.340 0.002 0.000 0.211 711 L C 2.478 179.355 176.870 0.012 0.000 1.071 711 L CA 1.323 56.219 54.840 0.093 0.000 0.749 711 L CB -1.370 40.699 42.059 0.016 0.000 0.890 711 L HN -0.051 nan 8.230 nan 0.000 0.431 712 V N -0.284 119.586 119.914 -0.074 0.000 2.282 712 V HA -0.350 3.771 4.120 0.002 0.000 0.249 712 V C 2.453 178.418 176.094 -0.215 0.000 1.057 712 V CA 2.115 64.339 62.300 -0.126 0.000 1.032 712 V CB -0.424 31.323 31.823 -0.127 0.000 0.645 712 V HN 0.353 nan 8.190 nan 0.000 0.447 713 I N -1.157 119.258 120.570 -0.258 0.000 2.163 713 I HA -0.253 3.918 4.170 0.002 0.000 0.243 713 I C 2.352 178.372 176.117 -0.163 0.000 1.085 713 I CA 1.762 62.867 61.300 -0.326 0.000 1.347 713 I CB -0.441 37.383 38.000 -0.294 0.000 1.044 713 I HN 0.223 nan 8.210 nan 0.000 0.408 714 F N 1.146 121.150 119.950 0.091 0.000 2.102 714 F HA -0.230 4.298 4.527 0.002 0.000 0.298 714 F C 2.719 178.511 175.800 -0.014 0.000 1.105 714 F CA 1.258 59.361 58.000 0.171 0.000 1.239 714 F CB -1.200 37.947 39.000 0.246 0.000 0.991 714 F HN 0.106 nan 8.300 nan 0.000 0.474 715 Q N -0.258 119.583 119.800 0.069 0.000 2.112 715 Q HA -0.207 4.134 4.340 0.002 0.000 0.206 715 Q C 2.382 178.313 176.000 -0.116 0.000 0.987 715 Q CA 1.453 57.225 55.803 -0.051 0.000 0.858 715 Q CB -0.167 28.527 28.738 -0.072 0.000 0.905 715 Q HN 0.239 nan 8.270 nan 0.000 0.420 716 R N -0.146 120.176 120.500 -0.296 0.000 2.066 716 R HA -0.078 4.263 4.340 0.002 0.000 0.232 716 R C 2.112 178.223 176.300 -0.315 0.000 1.131 716 R CA 1.100 56.900 56.100 -0.501 0.000 0.955 716 R CB -0.892 28.683 30.300 -1.208 0.000 0.851 716 R HN 0.250 nan 8.270 nan 0.000 0.432 717 F N 1.345 121.167 119.950 -0.212 0.000 2.091 717 F HA -0.167 4.361 4.527 0.002 0.000 0.299 717 F C 2.459 178.341 175.800 0.136 0.000 1.103 717 F CA 1.098 59.178 58.000 0.133 0.000 1.228 717 F CB -0.676 38.491 39.000 0.278 0.000 0.984 717 F HN -0.090 nan 8.300 nan 0.000 0.477 718 I N -0.943 119.776 120.570 0.247 0.000 2.226 718 I HA -0.352 3.820 4.170 0.002 0.000 0.245 718 I C 2.631 178.816 176.117 0.114 0.000 1.100 718 I CA 1.298 62.672 61.300 0.123 0.000 1.374 718 I CB -0.389 37.567 38.000 -0.073 0.000 1.057 718 I HN 0.183 nan 8.210 nan 0.000 0.413 719 M N 0.976 120.616 119.600 0.067 0.000 2.132 719 M HA -0.180 4.301 4.480 0.002 0.000 0.263 719 M C 2.395 178.765 176.300 0.117 0.000 1.065 719 M CA 2.029 57.364 55.300 0.057 0.000 1.122 719 M CB -0.152 32.450 32.600 0.003 0.000 1.365 719 M HN 0.288 nan 8.290 nan 0.000 0.411 720 I N -2.121 118.550 120.570 0.170 0.000 2.617 720 I HA -0.159 4.012 4.170 0.002 0.000 0.256 720 I C 1.829 178.193 176.117 0.411 0.000 1.167 720 I CA 0.833 62.286 61.300 0.255 0.000 1.469 720 I CB -0.508 37.662 38.000 0.283 0.000 1.098 720 I HN 0.208 nan 8.210 nan 0.000 0.436 721 L N 0.999 122.474 121.223 0.420 0.000 2.109 721 L HA -0.093 4.249 4.340 0.002 0.000 0.207 721 L C 2.678 179.775 176.870 0.377 0.000 1.086 721 L CA 1.583 56.708 54.840 0.476 0.000 0.760 721 L CB -0.709 41.601 42.059 0.419 0.000 0.910 721 L HN 0.268 nan 8.230 nan 0.000 0.437 722 T N -1.143 113.563 114.554 0.252 0.000 2.777 722 T HA -0.204 4.148 4.350 0.002 0.000 0.266 722 T C 1.817 176.599 174.700 0.136 0.000 1.040 722 T CA 1.161 63.361 62.100 0.168 0.000 1.141 722 T CB -0.150 68.784 68.868 0.109 0.000 0.868 722 T HN 0.276 nan 8.240 nan 0.000 0.444 723 E N 0.868 121.151 120.200 0.137 0.000 2.085 723 E HA -0.234 4.117 4.350 0.002 0.000 0.194 723 E C 2.025 178.672 176.600 0.079 0.000 0.994 723 E CA 1.705 58.154 56.400 0.082 0.000 0.801 723 E CB -0.261 29.476 29.700 0.063 0.000 0.743 723 E HN 0.690 nan 8.360 nan 0.000 0.453 724 H N 0.196 119.312 119.070 0.076 0.000 2.276 724 H HA -0.034 4.523 4.556 0.002 0.000 0.301 724 H C 2.415 177.756 175.328 0.021 0.000 1.073 724 H CA 2.131 58.210 56.048 0.051 0.000 1.311 724 H CB -0.420 29.491 29.762 0.248 0.000 1.379 724 H HN 0.081 nan 8.280 nan 0.000 0.494 725 L N -0.379 120.849 121.223 0.008 0.000 1.989 725 L HA -0.198 4.143 4.340 0.002 0.000 0.211 725 L C 2.655 179.445 176.870 -0.133 0.000 1.071 725 L CA 1.354 56.115 54.840 -0.132 0.000 0.749 725 L CB -0.565 41.489 42.059 -0.008 0.000 0.890 725 L HN 0.220 nan 8.230 nan 0.000 0.431 726 V N -0.255 119.630 119.914 -0.049 0.000 2.295 726 V HA -0.311 3.810 4.120 0.002 0.000 0.246 726 V C 2.682 178.728 176.094 -0.080 0.000 1.049 726 V CA 2.047 64.321 62.300 -0.044 0.000 1.024 726 V CB -0.740 31.078 31.823 -0.009 0.000 0.648 726 V HN 0.462 nan 8.190 nan 0.000 0.447 727 R N -0.527 119.911 120.500 -0.103 0.000 2.083 727 R HA -0.200 4.142 4.340 0.002 0.000 0.237 727 R C 2.355 178.565 176.300 -0.150 0.000 1.137 727 R CA 2.334 58.365 56.100 -0.115 0.000 0.951 727 R CB -0.660 29.570 30.300 -0.116 0.000 0.851 727 R HN 0.549 nan 8.270 nan 0.000 0.434 728 C N 0.859 120.012 119.300 -0.244 0.000 2.432 728 C HA -0.063 4.398 4.460 0.002 0.000 0.277 728 C C 2.364 177.265 174.990 -0.149 0.000 1.249 728 C CA 1.025 59.901 59.018 -0.237 0.000 1.725 728 C CB -0.839 26.674 27.740 -0.379 0.000 2.028 728 C HN 0.594 nan 8.230 nan 0.000 0.477 729 E N 0.066 120.186 120.200 -0.133 0.000 2.107 729 E HA -0.142 4.209 4.350 0.002 0.000 0.191 729 E C 2.120 178.686 176.600 -0.056 0.000 0.982 729 E CA 1.567 57.919 56.400 -0.080 0.000 0.809 729 E CB -0.320 29.345 29.700 -0.059 0.000 0.756 729 E HN 0.590 nan 8.360 nan 0.000 0.459 730 T N 1.316 115.835 114.554 -0.058 0.000 2.746 730 T HA -0.113 4.238 4.350 0.002 0.000 0.267 730 T C 1.085 175.760 174.700 -0.042 0.000 1.039 730 T CA 1.392 63.467 62.100 -0.042 0.000 1.142 730 T CB -0.171 68.673 68.868 -0.040 0.000 0.866 730 T HN 0.067 nan 8.240 nan 0.000 0.444 731 D N 0.059 120.426 120.400 -0.055 0.000 2.340 731 D HA 0.221 4.862 4.640 0.002 0.000 0.220 731 D C 1.541 177.815 176.300 -0.043 0.000 1.039 731 D CA 0.563 54.534 54.000 -0.048 0.000 0.866 731 D CB -0.195 40.571 40.800 -0.057 0.000 0.913 731 D HN 0.476 nan 8.370 nan 0.000 0.523 732 G N 1.411 110.183 108.800 -0.046 0.000 2.160 732 G HA2 -0.266 3.695 3.960 0.002 0.000 0.251 732 G HA3 -0.266 3.695 3.960 0.002 0.000 0.251 732 G C 0.601 175.478 174.900 -0.039 0.000 1.008 732 G CA 0.860 45.938 45.100 -0.037 0.000 0.724 732 G HN 0.482 nan 8.290 nan 0.000 0.514 733 T N -2.358 112.162 114.554 -0.056 0.000 2.944 733 T HA 0.711 5.062 4.350 0.002 0.000 0.284 733 T C 0.519 175.182 174.700 -0.062 0.000 1.010 733 T CA 0.354 62.424 62.100 -0.050 0.000 1.025 733 T CB 1.947 70.782 68.868 -0.054 0.000 1.079 733 T HN 1.025 nan 8.240 nan 0.000 0.516 734 S N 0.595 116.274 115.700 -0.035 0.000 2.531 734 S HA 0.170 4.642 4.470 0.002 0.000 0.279 734 S C 1.323 175.890 174.600 -0.054 0.000 1.305 734 S CA -0.791 57.389 58.200 -0.032 0.000 1.058 734 S CB 0.140 63.342 63.200 0.004 0.000 0.899 734 S HN 0.589 nan 8.310 nan 0.000 0.493 735 V N 5.771 125.617 119.914 -0.114 0.000 2.490 735 V HA -0.071 4.050 4.120 0.002 0.000 0.250 735 V C 1.036 177.079 176.094 -0.083 0.000 1.061 735 V CA 1.388 63.568 62.300 -0.200 0.000 1.064 735 V CB -0.413 31.183 31.823 -0.379 0.000 0.670 735 V HN 0.732 nan 8.190 nan 0.000 0.461 736 L N 2.213 123.420 121.223 -0.028 0.000 2.387 736 L HA 0.225 4.566 4.340 0.002 0.000 0.267 736 L C 0.569 177.549 176.870 0.182 0.000 1.197 736 L CA -0.138 54.759 54.840 0.095 0.000 1.070 736 L CB -0.433 41.688 42.059 0.104 0.000 1.349 736 L HN 0.338 nan 8.230 nan 0.000 0.422 737 T N -1.736 112.987 114.554 0.282 0.000 2.948 737 T HA 0.447 4.799 4.350 0.002 0.000 0.285 737 T C -1.955 172.908 174.700 0.271 0.000 1.019 737 T CA -2.056 60.204 62.100 0.266 0.000 1.013 737 T CB 1.929 70.986 68.868 0.315 0.000 1.117 737 T HN 0.003 nan 8.240 nan 0.000 0.533 738 P HA -0.065 nan 4.420 nan 0.000 0.215 738 P C 1.095 178.517 177.300 0.203 0.000 1.157 738 P CA 0.931 64.138 63.100 0.178 0.000 0.874 738 P CB -0.108 31.689 31.700 0.162 0.000 0.790 739 W N -0.791 120.570 121.300 0.102 0.000 2.321 739 W HA -0.272 4.389 4.660 0.003 0.000 0.306 739 W C 2.414 178.971 176.519 0.063 0.000 1.217 739 W CA 1.465 58.870 57.345 0.101 0.000 1.257 739 W CB -1.027 28.495 29.460 0.103 0.000 1.145 739 W HN -0.054 nan 8.180 nan 0.000 0.509 740 Y N 1.508 121.906 120.300 0.163 0.000 2.200 740 Y HA -0.193 4.358 4.550 0.002 0.000 0.290 740 Y C 2.693 178.523 175.900 -0.117 0.000 1.137 740 Y CA 2.664 60.726 58.100 -0.063 0.000 1.163 740 Y CB -0.906 37.553 38.460 -0.002 0.000 0.988 740 Y HN -0.073 nan 8.280 nan 0.000 0.518 741 K N 0.599 120.991 120.400 -0.013 0.000 2.074 741 K HA -0.308 4.013 4.320 0.002 0.000 0.209 741 K C 2.112 178.549 176.600 -0.273 0.000 1.048 741 K CA 1.924 58.143 56.287 -0.113 0.000 0.926 741 K CB -0.599 31.907 32.500 0.010 0.000 0.713 741 K HN 0.521 nan 8.250 nan 0.000 0.444 742 N N 0.496 119.027 118.700 -0.281 0.000 2.106 742 N HA -0.185 4.556 4.740 0.002 0.000 0.188 742 N C 2.103 177.313 175.510 -0.500 0.000 1.029 742 N CA 1.570 54.402 53.050 -0.365 0.000 0.848 742 N CB -0.382 37.915 38.487 -0.316 0.000 1.007 742 N HN 0.356 nan 8.380 nan 0.000 0.423 743 C N 0.422 119.358 119.300 -0.606 0.000 2.453 743 C HA -0.006 4.456 4.460 0.002 0.000 0.277 743 C C 2.823 177.570 174.990 -0.405 0.000 1.262 743 C CA 0.229 58.964 59.018 -0.472 0.000 1.718 743 C CB -1.397 25.906 27.740 -0.728 0.000 2.031 743 C HN 0.574 nan 8.230 nan 0.000 0.480 744 I N 1.074 121.293 120.570 -0.584 0.000 2.361 744 I HA -0.153 4.018 4.170 0.002 0.000 0.251 744 I C 2.296 178.201 176.117 -0.354 0.000 1.133 744 I CA 1.889 62.903 61.300 -0.476 0.000 1.413 744 I CB -0.421 37.186 38.000 -0.655 0.000 1.073 744 I HN 0.432 nan 8.210 nan 0.000 0.424 745 E N -0.454 119.529 120.200 -0.362 0.000 2.230 745 E HA -0.089 4.263 4.350 0.002 0.000 0.192 745 E C 2.085 178.475 176.600 -0.350 0.000 0.987 745 E CA 0.171 56.396 56.400 -0.291 0.000 0.841 745 E CB 0.005 29.557 29.700 -0.246 0.000 0.783 745 E HN 0.322 nan 8.360 nan 0.000 0.481 746 R N 0.623 120.819 120.500 -0.508 0.000 2.092 746 R HA -0.107 4.234 4.340 0.002 0.000 0.231 746 R C 2.364 178.337 176.300 -0.545 0.000 1.119 746 R CA 0.630 56.350 56.100 -0.632 0.000 0.970 746 R CB -0.739 28.862 30.300 -1.165 0.000 0.864 746 R HN 0.201 nan 8.270 nan 0.000 0.440 747 L N 1.656 122.364 121.223 -0.858 0.000 2.027 747 L HA -0.152 4.189 4.340 0.002 0.000 0.206 747 L C 2.533 179.289 176.870 -0.191 0.000 1.074 747 L CA 1.859 56.148 54.840 -0.918 0.000 0.745 747 L CB -0.790 40.780 42.059 -0.814 0.000 0.898 747 L HN 0.200 nan 8.230 nan 0.000 0.433 748 Q N -0.658 119.075 119.800 -0.112 0.000 2.112 748 Q HA -0.335 4.006 4.340 0.002 0.000 0.206 748 Q C 2.301 178.353 176.000 0.087 0.000 0.987 748 Q CA 2.414 58.248 55.803 0.052 0.000 0.858 748 Q CB -0.336 28.378 28.738 -0.040 0.000 0.905 748 Q HN 0.775 nan 8.270 nan 0.000 0.420 749 Q N -0.355 119.429 119.800 -0.025 0.000 2.167 749 Q HA -0.149 4.192 4.340 0.002 0.000 0.202 749 Q C 2.000 178.085 176.000 0.140 0.000 0.970 749 Q CA 1.055 56.862 55.803 0.007 0.000 0.855 749 Q CB 0.049 28.736 28.738 -0.085 0.000 0.911 749 Q HN 0.466 nan 8.270 nan 0.000 0.438 750 I N 0.321 121.008 120.570 0.194 0.000 2.179 750 I HA -0.252 3.919 4.170 0.002 0.000 0.242 750 I C 1.924 178.190 176.117 0.248 0.000 1.088 750 I CA 1.402 62.889 61.300 0.312 0.000 1.357 750 I CB -1.283 36.836 38.000 0.198 0.000 1.051 750 I HN 0.231 nan 8.210 nan 0.000 0.409 751 F N 0.969 121.027 119.950 0.179 0.000 2.134 751 F HA -0.158 4.371 4.527 0.002 0.000 0.299 751 F C 2.511 178.385 175.800 0.123 0.000 1.097 751 F CA 1.140 59.146 58.000 0.010 0.000 1.264 751 F CB -0.871 38.013 39.000 -0.195 0.000 1.001 751 F HN -0.040 nan 8.300 nan 0.000 0.479 752 L N -0.580 120.812 121.223 0.281 0.000 2.017 752 L HA -0.248 4.094 4.340 0.002 0.000 0.208 752 L C 2.394 179.372 176.870 0.180 0.000 1.073 752 L CA 1.492 56.448 54.840 0.193 0.000 0.745 752 L CB -0.807 41.298 42.059 0.077 0.000 0.894 752 L HN 0.191 nan 8.230 nan 0.000 0.432 753 Q N -1.064 118.748 119.800 0.021 0.000 2.297 753 Q HA -0.076 4.265 4.340 0.002 0.000 0.204 753 Q C 0.584 176.305 176.000 -0.465 0.000 0.962 753 Q CA 0.793 56.441 55.803 -0.259 0.000 0.879 753 Q CB 0.219 28.692 28.738 -0.441 0.000 0.947 753 Q HN 0.639 nan 8.270 nan 0.000 0.462 754 H N -1.260 117.923 119.070 0.189 0.000 2.665 754 H HA 0.087 4.645 4.556 0.002 0.000 0.248 754 H C 0.915 176.227 175.328 -0.026 0.000 1.175 754 H CA 0.086 56.183 56.048 0.081 0.000 0.952 754 H CB 0.193 30.093 29.762 0.230 0.000 1.883 754 H HN 0.475 nan 8.280 nan 0.000 0.623 755 H N -0.293 118.887 119.070 0.182 0.000 2.387 755 H HA -0.107 4.451 4.556 0.002 0.000 0.299 755 H C 1.809 177.257 175.328 0.200 0.000 1.099 755 H CA 1.489 57.724 56.048 0.310 0.000 1.315 755 H CB 0.054 30.067 29.762 0.418 0.000 1.380 755 H HN 0.195 nan 8.280 nan 0.000 0.513 756 Q N 0.194 119.767 119.800 -0.377 0.000 2.084 756 Q HA -0.076 4.265 4.340 0.002 0.000 0.202 756 Q C 2.338 178.253 176.000 -0.140 0.000 0.978 756 Q CA 1.801 57.494 55.803 -0.183 0.000 0.844 756 Q CB -0.048 28.550 28.738 -0.234 0.000 0.898 756 Q HN 0.545 nan 8.270 nan 0.000 0.426 757 I N 0.253 120.715 120.570 -0.181 0.000 2.163 757 I HA -0.281 3.890 4.170 0.002 0.000 0.240 757 I C 2.030 177.803 176.117 -0.575 0.000 1.081 757 I CA 1.096 62.211 61.300 -0.308 0.000 1.353 757 I CB -0.186 37.661 38.000 -0.254 0.000 1.054 757 I HN 0.188 nan 8.210 nan 0.000 0.407 758 I N 0.194 120.494 120.570 -0.450 0.000 2.423 758 I HA -0.325 3.846 4.170 0.002 0.000 0.254 758 I C 2.285 178.351 176.117 -0.085 0.000 1.151 758 I CA 1.317 62.408 61.300 -0.348 0.000 1.421 758 I CB -0.568 37.369 38.000 -0.105 0.000 1.079 758 I HN 0.353 nan 8.210 nan 0.000 0.431 759 Q N 0.403 120.247 119.800 0.074 0.000 2.364 759 Q HA -0.230 4.112 4.340 0.002 0.000 0.209 759 Q C 2.020 178.012 176.000 -0.014 0.000 0.977 759 Q CA 0.976 56.861 55.803 0.135 0.000 0.885 759 Q CB -0.112 28.684 28.738 0.097 0.000 0.941 759 Q HN 0.581 nan 8.270 nan 0.000 0.464 760 Q N -0.809 118.842 119.800 -0.249 0.000 2.437 760 Q HA -0.112 4.229 4.340 0.002 0.000 0.210 760 Q C 0.237 176.236 176.000 -0.001 0.000 0.972 760 Q CA 0.876 56.548 55.803 -0.217 0.000 0.903 760 Q CB 0.325 28.830 28.738 -0.388 0.000 0.967 760 Q HN 0.572 nan 8.270 nan 0.000 0.486 761 Y N -1.967 118.425 120.300 0.153 0.000 2.636 761 Y HA 0.134 4.686 4.550 0.002 0.000 0.260 761 Y C 1.433 177.466 175.900 0.222 0.000 1.177 761 Y CA -1.070 57.134 58.100 0.174 0.000 1.209 761 Y CB 0.414 38.985 38.460 0.186 0.000 1.166 761 Y HN 0.080 nan 8.280 nan 0.000 0.531 762 M N 0.110 119.912 119.600 0.336 0.000 2.110 762 M HA -0.241 4.241 4.480 0.002 0.000 0.257 762 M C 2.124 178.591 176.300 0.278 0.000 1.071 762 M CA 1.648 57.153 55.300 0.340 0.000 1.096 762 M CB -1.011 31.733 32.600 0.240 0.000 1.300 762 M HN 0.250 nan 8.290 nan 0.000 0.411 763 V N -0.490 119.550 119.914 0.210 0.000 2.343 763 V HA -0.268 3.854 4.120 0.002 0.000 0.247 763 V C 2.392 178.574 176.094 0.146 0.000 1.051 763 V CA 2.188 64.583 62.300 0.158 0.000 1.036 763 V CB -1.319 30.578 31.823 0.124 0.000 0.654 763 V HN 0.496 nan 8.190 nan 0.000 0.451 764 T N 0.346 115.001 114.554 0.168 0.000 2.737 764 T HA -0.087 4.264 4.350 0.002 0.000 0.265 764 T C 1.904 176.678 174.700 0.123 0.000 1.038 764 T CA 1.502 63.681 62.100 0.132 0.000 1.144 764 T CB -0.281 68.663 68.868 0.126 0.000 0.866 764 T HN 0.282 nan 8.240 nan 0.000 0.434 765 L N 0.560 121.891 121.223 0.180 0.000 2.017 765 L HA -0.120 4.221 4.340 0.002 0.000 0.208 765 L C 2.756 179.607 176.870 -0.032 0.000 1.073 765 L CA 1.565 56.478 54.840 0.123 0.000 0.745 765 L CB -0.503 41.659 42.059 0.172 0.000 0.894 765 L HN 0.305 nan 8.230 nan 0.000 0.432 766 E N -0.155 120.053 120.200 0.012 0.000 2.110 766 E HA -0.188 4.163 4.350 0.002 0.000 0.193 766 E C 1.868 178.483 176.600 0.024 0.000 0.988 766 E CA 1.110 57.517 56.400 0.013 0.000 0.804 766 E CB 0.087 29.882 29.700 0.158 0.000 0.745 766 E HN 0.442 nan 8.360 nan 0.000 0.458 767 N N -0.377 118.349 118.700 0.042 0.000 2.290 767 N HA -0.017 4.725 4.740 0.002 0.000 0.179 767 N C 1.493 177.008 175.510 0.008 0.000 1.016 767 N CA 0.855 53.925 53.050 0.032 0.000 0.871 767 N CB 0.220 38.733 38.487 0.044 0.000 0.987 767 N HN 0.130 nan 8.380 nan 0.000 0.431 768 L N -1.081 120.141 121.223 -0.002 0.000 2.653 768 L HA 0.270 4.611 4.340 0.002 0.000 0.230 768 L C 1.413 178.240 176.870 -0.072 0.000 1.055 768 L CA 0.160 54.986 54.840 -0.022 0.000 0.880 768 L CB 0.321 42.378 42.059 -0.003 0.000 1.195 768 L HN 0.011 nan 8.230 nan 0.000 0.492 769 L N -1.359 119.794 121.223 -0.118 0.000 2.488 769 L HA 0.198 4.540 4.340 0.002 0.000 0.186 769 L C 0.396 176.987 176.870 -0.465 0.000 1.124 769 L CA 0.832 55.489 54.840 -0.305 0.000 0.838 769 L CB -0.296 41.548 42.059 -0.359 0.000 1.107 769 L HN 0.063 nan 8.230 nan 0.000 0.494 770 F N 2.086 121.868 119.950 -0.280 0.000 2.509 770 F HA 0.184 4.713 4.527 0.002 0.000 0.344 770 F C 1.063 176.710 175.800 -0.254 0.000 1.197 770 F CA -0.612 57.173 58.000 -0.357 0.000 1.294 770 F CB 0.047 38.532 39.000 -0.858 0.000 1.643 770 F HN 0.054 nan 8.300 nan 0.000 0.596 771 T N -2.359 112.179 114.554 -0.027 0.000 2.862 771 T HA 0.568 4.919 4.350 0.002 0.000 0.276 771 T C 1.400 176.129 174.700 0.049 0.000 0.974 771 T CA -0.296 61.810 62.100 0.009 0.000 0.966 771 T CB 1.652 70.515 68.868 -0.008 0.000 1.072 771 T HN 0.299 nan 8.240 nan 0.000 0.538 772 A N 0.413 123.263 122.820 0.051 0.000 2.015 772 A HA -0.040 4.281 4.320 0.002 0.000 0.219 772 A C 2.213 179.828 177.584 0.052 0.000 1.163 772 A CA 1.187 53.260 52.037 0.060 0.000 0.646 772 A CB -0.759 18.271 19.000 0.050 0.000 0.806 772 A HN 0.930 nan 8.150 nan 0.000 0.448 773 E N -0.366 119.858 120.200 0.040 0.000 2.371 773 E HA 0.021 4.372 4.350 0.002 0.000 0.194 773 E C 0.408 177.036 176.600 0.047 0.000 1.012 773 E CA -0.291 56.131 56.400 0.037 0.000 0.860 773 E CB -0.610 29.105 29.700 0.025 0.000 0.811 773 E HN 0.415 nan 8.360 nan 0.000 0.502 774 L N 3.666 124.920 121.223 0.051 0.000 2.559 774 L HA -0.067 4.274 4.340 0.002 0.000 0.282 774 L C 0.455 177.386 176.870 0.102 0.000 1.232 774 L CA 0.581 55.460 54.840 0.066 0.000 0.885 774 L CB 0.255 42.358 42.059 0.072 0.000 1.131 774 L HN -0.001 nan 8.230 nan 0.000 0.498 775 D N 6.427 126.899 120.400 0.119 0.000 2.586 775 D HA -0.073 4.568 4.640 0.002 0.000 0.234 775 D C -1.689 174.724 176.300 0.189 0.000 1.132 775 D CA -0.853 53.243 54.000 0.160 0.000 0.860 775 D CB 1.340 42.256 40.800 0.194 0.000 1.159 775 D HN 0.389 nan 8.370 nan 0.000 0.490 776 P HA -0.164 nan 4.420 nan 0.000 0.216 776 P C 0.708 178.063 177.300 0.091 0.000 1.150 776 P CA 1.385 64.534 63.100 0.081 0.000 0.843 776 P CB 0.053 31.750 31.700 -0.006 0.000 0.787 777 H N -1.474 117.684 119.070 0.146 0.000 2.387 777 H HA -0.092 4.465 4.556 0.002 0.000 0.299 777 H C 1.878 177.334 175.328 0.214 0.000 1.099 777 H CA 1.305 57.469 56.048 0.195 0.000 1.315 777 H CB -0.801 29.119 29.762 0.264 0.000 1.380 777 H HN 0.183 nan 8.280 nan 0.000 0.513 778 I N -0.670 120.110 120.570 0.350 0.000 2.429 778 I HA -0.145 4.027 4.170 0.002 0.000 0.247 778 I C 2.230 178.545 176.117 0.330 0.000 1.099 778 I CA 0.429 61.928 61.300 0.332 0.000 1.422 778 I CB -0.132 38.060 38.000 0.319 0.000 1.112 778 I HN 0.175 nan 8.210 nan 0.000 0.430 779 L N 1.123 122.518 121.223 0.287 0.000 2.043 779 L HA -0.276 4.065 4.340 0.002 0.000 0.212 779 L C 2.834 179.822 176.870 0.197 0.000 1.075 779 L CA 1.720 56.730 54.840 0.285 0.000 0.752 779 L CB -0.376 41.805 42.059 0.204 0.000 0.891 779 L HN 0.300 nan 8.230 nan 0.000 0.432 780 A N -0.779 122.117 122.820 0.126 0.000 1.940 780 A HA -0.194 4.128 4.320 0.002 0.000 0.219 780 A C 2.183 179.769 177.584 0.002 0.000 1.176 780 A CA 1.959 54.024 52.037 0.047 0.000 0.631 780 A CB -0.801 18.214 19.000 0.025 0.000 0.814 780 A HN 0.318 nan 8.150 nan 0.000 0.446 781 V N -1.373 118.559 119.914 0.030 0.000 2.343 781 V HA -0.233 3.888 4.120 0.002 0.000 0.247 781 V C 2.265 178.185 176.094 -0.291 0.000 1.051 781 V CA 2.036 64.299 62.300 -0.061 0.000 1.036 781 V CB -0.989 30.859 31.823 0.041 0.000 0.654 781 V HN 0.640 nan 8.190 nan 0.000 0.451 782 F N 0.907 120.573 119.950 -0.473 0.000 2.216 782 F HA -0.202 4.326 4.527 0.002 0.000 0.300 782 F C 2.379 177.959 175.800 -0.367 0.000 1.085 782 F CA 1.850 59.407 58.000 -0.739 0.000 1.326 782 F CB -0.218 38.355 39.000 -0.712 0.000 1.027 782 F HN 0.173 nan 8.300 nan 0.000 0.497 783 Q N -0.306 119.334 119.800 -0.266 0.000 2.083 783 Q HA -0.195 4.146 4.340 0.002 0.000 0.198 783 Q C 2.250 178.073 176.000 -0.295 0.000 0.969 783 Q CA 1.594 57.228 55.803 -0.281 0.000 0.838 783 Q CB -0.271 28.409 28.738 -0.096 0.000 0.900 783 Q HN 0.522 nan 8.270 nan 0.000 0.436 784 Q N -0.130 119.539 119.800 -0.218 0.000 2.112 784 Q HA -0.222 4.119 4.340 0.002 0.000 0.206 784 Q C 1.858 177.724 176.000 -0.223 0.000 0.987 784 Q CA 1.723 57.421 55.803 -0.174 0.000 0.858 784 Q CB -0.277 28.390 28.738 -0.119 0.000 0.905 784 Q HN 0.347 nan 8.270 nan 0.000 0.420 785 F N 0.482 120.121 119.950 -0.519 0.000 2.102 785 F HA -0.240 4.288 4.527 0.002 0.000 0.298 785 F C 2.047 177.558 175.800 -0.482 0.000 1.105 785 F CA 1.198 58.859 58.000 -0.565 0.000 1.239 785 F CB -0.661 37.722 39.000 -1.028 0.000 0.991 785 F HN 0.059 nan 8.300 nan 0.000 0.474 786 C N 1.090 119.822 119.300 -0.947 0.000 2.413 786 C HA -0.102 4.359 4.460 0.002 0.000 0.277 786 C C 3.139 177.804 174.990 -0.541 0.000 1.265 786 C CA 1.185 59.684 59.018 -0.866 0.000 1.752 786 C CB -2.035 25.290 27.740 -0.692 0.000 1.998 786 C HN 0.652 nan 8.230 nan 0.000 0.489 787 A N 0.134 122.725 122.820 -0.381 0.000 2.178 787 A HA -0.021 4.300 4.320 0.002 0.000 0.218 787 A C 2.003 179.455 177.584 -0.220 0.000 1.157 787 A CA 1.084 52.991 52.037 -0.216 0.000 0.689 787 A CB -0.522 18.422 19.000 -0.093 0.000 0.787 787 A HN 0.688 nan 8.150 nan 0.000 0.465 788 L N -1.114 119.921 121.223 -0.313 0.000 2.156 788 L HA -0.155 4.186 4.340 0.002 0.000 0.208 788 L C 2.388 179.092 176.870 -0.276 0.000 1.095 788 L CA 1.670 56.328 54.840 -0.303 0.000 0.770 788 L CB -0.273 41.580 42.059 -0.344 0.000 0.914 788 L HN 0.789 nan 8.230 nan 0.000 0.439 789 Q N -0.757 118.872 119.800 -0.285 0.000 2.135 789 Q HA 0.452 4.793 4.340 0.002 0.000 0.231 789 Q C -0.020 175.897 176.000 -0.138 0.000 0.817 789 Q CA -0.202 55.492 55.803 -0.182 0.000 1.073 789 Q CB 0.797 29.439 28.738 -0.160 0.000 1.176 789 Q HN 0.205 nan 8.270 nan 0.000 0.478 790 A N 0.000 122.721 122.820 -0.166 0.000 2.254 790 A HA 0.000 4.321 4.320 0.002 0.000 0.244 790 A CA 0.000 51.961 52.037 -0.127 0.000 0.836 790 A CB 0.000 18.910 19.000 -0.149 0.000 0.831 790 A HN 0.000 nan 8.150 nan 0.000 0.486