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 2wzs_1_C DATA FIRST_RESID 20 DATA SEQUENCE KDWTQYVNPL MGSQSTFELS TGNTYPAIAR PWGMNFWTPQ TGKMGDGWQY DATA SEQUENCE TYTANKIRGF KQTHQPSPWI NDYGQFSIMP IVGQPVFDEE KRASWFAHKG DATA SEQUENCE EVATPYYYKV YLAEHDIVTE MTPTERAVLF RFTFPENDHS YVVVDAFDKG DATA SEQUENCE SYIKIIPEEN KIIGYTTRNS GGVPENFKNY FIIEFDKPFT YKATVENGNL DATA SEQUENCE QENVAEQTTD HAGAIIGFKT RKGEQVNARI ASSFISFEQA AANMNELGKD DATA SEQUENCE NIEQLAQKGK DAWNQVLGKI EVEGGNLDQY RTFYSCLYRS LLFPRKFYEL DATA SEQUENCE DANGQPIHYS PYNGQVLPGY MFTDTGFWDT FRCLFPLLNL MYPSVNKEMQ DATA SEQUENCE EGLINTYLES GFFPEWASPG HRGCMVGNNS ASILVDAYMK GVKVDDIKTL DATA SEQUENCE YEGLIHGTEN VHPEVSSTGR LGYEYYNKLG YVPYDVKINE NAARTLEYAY DATA SEQUENCE DDWCIYRLAK ELKRPKKEIS LFAKRAMNYK NLFDKESKLM RGRNEDGTFQ DATA SEQUENCE SPFSPLKWGD AFTEGNSWHY TWSVFHDPQG LIDLMGGKEM FVTMMDSVFA DATA SEQUENCE VPPIFDDSYY GQVIHEIREM TVMNMGNYAH GNQPIQHMIY LYDYAGQPWK DATA SEQUENCE AQYWLRQVMD RMYTPGPDGY CGDEDNGQTS AWYVFSALGF YPVCPGTDEY DATA SEQUENCE VMGTPLFKKA TLHFENGNSL VIDAPNNSTE NFYIDSMSFN GADHTKNYLR DATA SEQUENCE HEDLFKGGTI KVDMSNRPNL NRGTKEEDMP YSFSKE 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 20 K HA 0.000 nan 4.320 nan 0.000 0.191 20 K C 0.000 176.157 176.600 -0.738 0.000 0.988 20 K CA 0.000 55.945 56.287 -0.569 0.000 0.838 20 K CB 0.000 32.150 32.500 -0.583 0.000 1.064 21 D N 1.208 121.130 120.400 -0.797 0.000 2.391 21 D HA 0.607 5.247 4.640 -0.001 0.000 0.245 21 D C 0.292 176.144 176.300 -0.745 0.000 1.069 21 D CA -0.356 53.297 54.000 -0.579 0.000 0.831 21 D CB 0.746 41.323 40.800 -0.371 0.000 1.204 21 D HN 0.543 nan 8.370 nan 0.000 0.503 22 W N 2.142 123.320 121.300 -0.203 0.000 2.993 22 W HA -0.010 4.649 4.660 -0.001 0.000 0.290 22 W C 1.932 178.324 176.519 -0.212 0.000 1.203 22 W CA 0.650 57.820 57.345 -0.292 0.000 1.582 22 W CB -0.236 28.955 29.460 -0.449 0.000 1.033 22 W HN 0.567 nan 8.180 nan 0.000 0.594 23 T N -0.428 114.157 114.554 0.051 0.000 2.849 23 T HA -0.310 4.040 4.350 -0.001 0.000 0.270 23 T C 1.695 176.358 174.700 -0.062 0.000 1.066 23 T CA 1.781 63.908 62.100 0.045 0.000 1.130 23 T CB -0.468 68.503 68.868 0.173 0.000 0.864 23 T HN 0.385 nan 8.240 nan 0.000 0.481 24 Q N -0.002 119.661 119.800 -0.228 0.000 2.297 24 Q HA -0.182 4.158 4.340 -0.001 0.000 0.208 24 Q C 1.390 177.208 176.000 -0.302 0.000 0.981 24 Q CA 1.523 57.123 55.803 -0.337 0.000 0.876 24 Q CB -0.788 27.625 28.738 -0.542 0.000 0.921 24 Q HN 0.670 nan 8.270 nan 0.000 0.446 25 Y N 0.467 120.797 120.300 0.050 0.000 2.500 25 Y HA 0.245 4.795 4.550 -0.001 0.000 0.270 25 Y C 0.610 176.587 175.900 0.129 0.000 1.134 25 Y CA -0.617 57.571 58.100 0.147 0.000 1.293 25 Y CB 0.617 39.261 38.460 0.306 0.000 1.063 25 Y HN -0.119 nan 8.280 nan 0.000 0.534 26 V N 2.278 122.269 119.914 0.128 0.000 2.455 26 V HA 0.057 4.177 4.120 -0.001 0.000 0.273 26 V C -0.058 175.962 176.094 -0.123 0.000 1.045 26 V CA -0.488 61.792 62.300 -0.034 0.000 0.976 26 V CB 0.645 32.291 31.823 -0.295 0.000 0.993 26 V HN 0.235 nan 8.190 nan 0.000 0.475 27 N N 7.184 125.842 118.700 -0.071 0.000 2.621 27 N HA 0.386 5.125 4.740 -0.001 0.000 0.237 27 N C -1.874 173.591 175.510 -0.076 0.000 0.997 27 N CA -2.227 50.786 53.050 -0.062 0.000 0.918 27 N CB 1.876 40.368 38.487 0.008 0.000 1.122 27 N HN 0.207 nan 8.380 nan 0.000 0.510 28 P HA -0.037 nan 4.420 nan 0.000 0.225 28 P C 0.939 178.259 177.300 0.034 0.000 1.148 28 P CA 0.911 63.953 63.100 -0.096 0.000 0.779 28 P CB 0.315 31.893 31.700 -0.203 0.000 0.780 29 L N -2.282 118.972 121.223 0.053 0.000 2.554 29 L HA 0.107 4.446 4.340 -0.001 0.000 0.226 29 L C 1.414 178.355 176.870 0.119 0.000 1.137 29 L CA -0.057 54.860 54.840 0.128 0.000 0.863 29 L CB -0.612 41.572 42.059 0.207 0.000 0.985 29 L HN 0.115 nan 8.230 nan 0.000 0.451 30 M N 0.924 120.580 119.600 0.094 0.000 2.307 30 M HA 0.191 4.671 4.480 -0.001 0.000 0.346 30 M C 1.010 177.439 176.300 0.216 0.000 1.552 30 M CA 1.154 56.505 55.300 0.084 0.000 1.116 30 M CB 0.192 32.810 32.600 0.029 0.000 1.889 30 M HN 0.261 nan 8.290 nan 0.000 0.460 31 G N 2.246 111.169 108.800 0.205 0.000 2.176 31 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.232 31 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.232 31 G C 0.606 175.641 174.900 0.225 0.000 0.986 31 G CA 0.531 45.802 45.100 0.286 0.000 0.643 31 G HN 0.908 nan 8.290 nan 0.000 0.522 32 S N -0.754 115.089 115.700 0.238 0.000 2.527 32 S HA 0.175 4.645 4.470 -0.001 0.000 0.222 32 S C 1.175 175.974 174.600 0.332 0.000 0.985 32 S CA 1.216 59.626 58.200 0.350 0.000 0.921 32 S CB 0.194 63.717 63.200 0.539 0.000 0.772 32 S HN 0.569 nan 8.310 nan 0.000 0.529 33 Q N 1.810 121.736 119.800 0.211 0.000 3.207 33 Q HA 0.387 4.727 4.340 -0.001 0.000 0.335 33 Q C -1.045 175.049 176.000 0.156 0.000 1.374 33 Q CA -0.276 55.630 55.803 0.171 0.000 1.023 33 Q CB -0.094 28.665 28.738 0.035 0.000 1.576 33 Q HN 0.351 nan 8.270 nan 0.000 0.515 34 S N 0.051 115.877 115.700 0.211 0.000 2.536 34 S HA 0.621 5.091 4.470 -0.001 0.000 0.298 34 S C -0.430 174.282 174.600 0.188 0.000 1.083 34 S CA -0.665 57.665 58.200 0.218 0.000 0.995 34 S CB 1.817 65.190 63.200 0.289 0.000 1.058 34 S HN 0.568 nan 8.310 nan 0.000 0.488 35 T N -0.785 113.832 114.554 0.104 0.000 2.926 35 T HA 0.537 4.886 4.350 -0.001 0.000 0.289 35 T C 0.783 175.461 174.700 -0.037 0.000 1.054 35 T CA -0.754 61.307 62.100 -0.064 0.000 1.015 35 T CB 0.507 69.340 68.868 -0.059 0.000 1.167 35 T HN 0.335 nan 8.240 nan 0.000 0.526 36 F N 1.620 121.314 119.950 -0.427 0.000 2.087 36 F HA -0.126 4.401 4.527 -0.001 0.000 0.299 36 F C 2.044 177.866 175.800 0.036 0.000 1.100 36 F CA 2.102 59.970 58.000 -0.220 0.000 1.226 36 F CB -0.327 38.470 39.000 -0.338 0.000 0.983 36 F HN 0.707 nan 8.300 nan 0.000 0.479 37 E N -0.192 120.029 120.200 0.035 0.000 2.158 37 E HA 0.110 4.460 4.350 -0.001 0.000 0.191 37 E C -0.260 176.345 176.600 0.008 0.000 0.982 37 E CA 0.706 57.105 56.400 -0.002 0.000 0.823 37 E CB 0.126 29.867 29.700 0.069 0.000 0.766 37 E HN 0.319 nan 8.360 nan 0.000 0.468 38 L N -0.149 121.094 121.223 0.033 0.000 2.528 38 L HA 0.339 4.679 4.340 -0.001 0.000 0.267 38 L C -0.998 175.924 176.870 0.087 0.000 0.961 38 L CA -0.432 54.446 54.840 0.063 0.000 0.866 38 L CB 2.005 44.088 42.059 0.041 0.000 1.248 38 L HN -0.151 nan 8.230 nan 0.000 0.404 39 S N 1.516 117.290 115.700 0.123 0.000 2.562 39 S HA 0.508 4.977 4.470 -0.001 0.000 0.275 39 S C 0.695 175.375 174.600 0.133 0.000 1.281 39 S CA 0.281 58.567 58.200 0.142 0.000 1.045 39 S CB 0.855 64.158 63.200 0.172 0.000 0.962 39 S HN 0.750 nan 8.310 nan 0.000 0.503 40 T N 0.953 115.593 114.554 0.144 0.000 3.266 40 T HA 0.572 4.922 4.350 -0.001 0.000 0.278 40 T C 1.032 175.876 174.700 0.240 0.000 1.010 40 T CA 0.178 62.369 62.100 0.153 0.000 0.909 40 T CB 0.028 68.963 68.868 0.112 0.000 1.122 40 T HN 1.243 nan 8.240 nan 0.000 0.536 41 G N 1.559 110.460 108.800 0.167 0.000 3.006 41 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.195 41 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.195 41 G C 0.180 175.085 174.900 0.008 0.000 1.034 41 G CA -0.265 44.857 45.100 0.037 0.000 0.807 41 G HN 0.449 nan 8.290 nan 0.000 0.469 42 N N 1.622 120.375 118.700 0.088 0.000 2.688 42 N HA -0.145 4.594 4.740 -0.001 0.000 0.258 42 N C 0.363 175.856 175.510 -0.027 0.000 1.016 42 N CA 1.977 55.043 53.050 0.027 0.000 0.747 42 N CB -1.351 37.121 38.487 -0.025 0.000 0.895 42 N HN 1.428 nan 8.380 nan 0.000 0.543 43 T N -2.236 112.345 114.554 0.046 0.000 2.949 43 T HA 0.772 5.122 4.350 -0.001 0.000 0.287 43 T C -0.050 174.723 174.700 0.121 0.000 1.034 43 T CA -0.780 61.322 62.100 0.003 0.000 1.018 43 T CB 2.096 70.966 68.868 0.004 0.000 1.135 43 T HN 0.240 nan 8.240 nan 0.000 0.532 44 Y N -1.908 118.437 120.300 0.076 0.000 2.630 44 Y HA 0.778 5.327 4.550 -0.001 0.000 0.337 44 Y C -3.061 172.815 175.900 -0.041 0.000 1.051 44 Y CA -3.620 54.505 58.100 0.042 0.000 1.121 44 Y CB 0.222 38.705 38.460 0.038 0.000 1.299 44 Y HN 0.365 nan 8.280 nan 0.000 0.498 45 P HA 0.246 nan 4.420 nan 0.000 0.271 45 P C -0.825 176.485 177.300 0.016 0.000 1.380 45 P CA 0.053 63.091 63.100 -0.103 0.000 0.992 45 P CB 0.219 31.717 31.700 -0.337 0.000 1.230 46 A N 5.937 128.738 122.820 -0.031 0.000 2.527 46 A HA 0.291 4.611 4.320 -0.001 0.000 0.313 46 A C 0.337 177.854 177.584 -0.111 0.000 1.410 46 A CA -0.428 51.542 52.037 -0.112 0.000 1.060 46 A CB -0.584 18.098 19.000 -0.530 0.000 1.137 46 A HN 0.360 nan 8.150 nan 0.000 0.542 47 I N 2.216 122.763 120.570 -0.038 0.000 2.347 47 I HA 0.504 4.674 4.170 -0.001 0.000 0.294 47 I C 0.586 176.752 176.117 0.081 0.000 1.090 47 I CA 0.353 61.653 61.300 -0.001 0.000 1.314 47 I CB -0.609 37.392 38.000 0.001 0.000 1.423 47 I HN 0.669 nan 8.210 nan 0.000 0.503 48 A N 7.163 130.057 122.820 0.124 0.000 2.586 48 A HA 0.680 4.999 4.320 -0.001 0.000 0.291 48 A C -0.435 177.413 177.584 0.441 0.000 1.062 48 A CA -0.903 51.263 52.037 0.214 0.000 0.666 48 A CB 1.592 20.531 19.000 -0.102 0.000 1.281 48 A HN 0.461 nan 8.150 nan 0.000 0.421 49 R N 0.039 120.728 120.500 0.315 0.000 2.615 49 R HA 0.444 4.784 4.340 -0.001 0.000 0.270 49 R C -2.629 173.628 176.300 -0.072 0.000 1.081 49 R CA -1.953 54.218 56.100 0.119 0.000 1.154 49 R CB -0.440 29.900 30.300 0.067 0.000 1.063 49 R HN 0.421 nan 8.270 nan 0.000 0.519 50 P HA -0.094 nan 4.420 nan 0.000 0.262 50 P C -0.262 176.901 177.300 -0.228 0.000 1.182 50 P CA 0.312 62.857 63.100 -0.924 0.000 0.761 50 P CB 0.210 31.115 31.700 -1.326 0.000 0.795 51 W N 0.296 121.626 121.300 0.050 0.000 4.973 51 W HA -0.161 4.498 4.660 -0.001 0.000 0.350 51 W C 0.675 177.314 176.519 0.200 0.000 1.280 51 W CA 0.836 58.282 57.345 0.169 0.000 0.854 51 W CB -2.424 27.161 29.460 0.208 0.000 2.367 51 W HN 0.472 nan 8.180 nan 0.000 1.511 52 G N 0.779 109.838 108.800 0.432 0.000 2.432 52 G HA2 0.215 4.174 3.960 -0.001 0.000 0.239 52 G HA3 0.215 4.174 3.960 -0.001 0.000 0.239 52 G C 0.813 175.864 174.900 0.253 0.000 1.291 52 G CA 0.220 45.539 45.100 0.364 0.000 0.863 52 G HN 0.273 nan 8.290 nan 0.000 0.560 53 M N 1.544 121.245 119.600 0.168 0.000 2.175 53 M HA -0.007 4.472 4.480 -0.001 0.000 0.264 53 M C 0.093 176.532 176.300 0.232 0.000 1.063 53 M CA 1.104 56.507 55.300 0.171 0.000 1.119 53 M CB 0.034 32.709 32.600 0.125 0.000 1.377 53 M HN 0.399 nan 8.290 nan 0.000 0.415 54 N N 0.345 119.164 118.700 0.199 0.000 2.399 54 N HA 0.270 5.009 4.740 -0.001 0.000 0.280 54 N C -1.591 174.029 175.510 0.183 0.000 1.008 54 N CA -0.328 52.754 53.050 0.052 0.000 0.894 54 N CB 1.195 39.775 38.487 0.154 0.000 1.273 54 N HN 0.003 nan 8.380 nan 0.000 0.486 55 F N 0.718 120.522 119.950 -0.244 0.000 2.377 55 F HA 0.463 4.989 4.527 -0.001 0.000 0.328 55 F C 0.216 175.821 175.800 -0.325 0.000 1.094 55 F CA -1.093 56.839 58.000 -0.113 0.000 1.093 55 F CB 0.574 39.554 39.000 -0.034 0.000 1.214 55 F HN 0.302 nan 8.300 nan 0.000 0.518 56 W N 0.217 121.582 121.300 0.108 0.000 2.761 56 W HA 0.578 5.238 4.660 -0.001 0.000 0.340 56 W C -0.316 176.170 176.519 -0.055 0.000 1.072 56 W CA -0.554 56.784 57.345 -0.012 0.000 1.215 56 W CB 2.124 31.568 29.460 -0.027 0.000 1.420 56 W HN 0.372 nan 8.180 nan 0.000 0.519 57 T N 3.688 118.295 114.554 0.090 0.000 2.982 57 T HA 0.432 4.781 4.350 -0.001 0.000 0.321 57 T C -2.872 171.752 174.700 -0.126 0.000 1.229 57 T CA -1.963 60.086 62.100 -0.085 0.000 1.044 57 T CB 1.373 70.165 68.868 -0.126 0.000 1.184 57 T HN 0.071 nan 8.240 nan 0.000 0.477 58 P HA 0.127 nan 4.420 nan 0.000 0.268 58 P C -1.115 176.100 177.300 -0.142 0.000 1.204 58 P CA -0.050 62.831 63.100 -0.366 0.000 0.768 58 P CB 0.453 31.915 31.700 -0.397 0.000 0.842 59 Q N 1.867 121.521 119.800 -0.243 0.000 2.341 59 Q HA 0.280 4.619 4.340 -0.001 0.000 0.268 59 Q C 0.623 176.527 176.000 -0.160 0.000 1.013 59 Q CA -0.385 55.341 55.803 -0.128 0.000 0.798 59 Q CB 1.039 29.707 28.738 -0.116 0.000 1.253 59 Q HN 0.517 nan 8.270 nan 0.000 0.457 60 T N -0.205 114.283 114.554 -0.110 0.000 3.034 60 T HA 0.251 4.600 4.350 -0.001 0.000 0.248 60 T C 0.895 175.527 174.700 -0.114 0.000 1.040 60 T CA 0.401 62.410 62.100 -0.152 0.000 1.107 60 T CB 0.212 68.949 68.868 -0.217 0.000 0.932 60 T HN 0.509 nan 8.240 nan 0.000 0.474 61 G N 1.499 110.260 108.800 -0.065 0.000 2.572 61 G HA2 0.447 4.406 3.960 -0.001 0.000 0.261 61 G HA3 0.447 4.406 3.960 -0.001 0.000 0.261 61 G C -0.464 174.395 174.900 -0.069 0.000 1.197 61 G CA -0.782 44.292 45.100 -0.043 0.000 0.870 61 G HN 0.335 nan 8.290 nan 0.000 0.548 62 K N 0.611 120.968 120.400 -0.072 0.000 2.258 62 K HA 0.079 4.399 4.320 -0.001 0.000 0.264 62 K C 0.720 177.254 176.600 -0.110 0.000 1.007 62 K CA -0.396 55.830 56.287 -0.101 0.000 0.941 62 K CB 1.126 33.570 32.500 -0.093 0.000 0.966 62 K HN 0.567 nan 8.250 nan 0.000 0.480 63 M N 1.274 120.754 119.600 -0.201 0.000 2.286 63 M HA -0.134 4.345 4.480 -0.001 0.000 0.365 63 M C 0.761 176.981 176.300 -0.134 0.000 1.443 63 M CA 2.083 57.207 55.300 -0.294 0.000 0.951 63 M CB -0.287 31.947 32.600 -0.611 0.000 1.961 63 M HN 0.995 nan 8.290 nan 0.000 0.468 64 G N 3.044 111.825 108.800 -0.031 0.000 2.213 64 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.236 64 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.236 64 G C -0.136 174.778 174.900 0.023 0.000 0.991 64 G CA 0.176 45.283 45.100 0.012 0.000 0.629 64 G HN 0.786 nan 8.290 nan 0.000 0.517 65 D N 1.043 121.457 120.400 0.022 0.000 2.351 65 D HA 0.451 5.091 4.640 -0.001 0.000 0.251 65 D C 1.707 178.043 176.300 0.060 0.000 1.137 65 D CA 0.678 54.721 54.000 0.071 0.000 0.879 65 D CB 0.890 41.737 40.800 0.078 0.000 1.181 65 D HN 0.176 nan 8.370 nan 0.000 0.448 66 G N 3.667 112.504 108.800 0.062 0.000 2.432 66 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.219 66 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.219 66 G C 0.730 175.438 174.900 -0.320 0.000 1.135 66 G CA -0.064 44.902 45.100 -0.224 0.000 0.767 66 G HN 0.598 nan 8.290 nan 0.000 0.550 67 W N 2.404 123.634 121.300 -0.116 0.000 1.836 67 W HA 0.217 4.877 4.660 -0.001 0.000 0.449 67 W C 1.422 177.918 176.519 -0.037 0.000 0.787 67 W CA -0.295 57.010 57.345 -0.067 0.000 1.729 67 W CB -0.146 29.266 29.460 -0.079 0.000 1.802 67 W HN 0.557 nan 8.180 nan 0.000 0.257 68 Q N 1.025 120.860 119.800 0.059 0.000 2.331 68 Q HA -0.109 4.230 4.340 -0.001 0.000 0.203 68 Q C -0.019 176.042 176.000 0.101 0.000 0.944 68 Q CA 1.008 56.824 55.803 0.021 0.000 0.892 68 Q CB 0.215 28.890 28.738 -0.105 0.000 0.983 68 Q HN 0.386 nan 8.270 nan 0.000 0.482 69 Y N 1.316 121.645 120.300 0.048 0.000 2.396 69 Y HA 0.391 4.940 4.550 -0.001 0.000 0.332 69 Y C -1.371 174.644 175.900 0.191 0.000 1.034 69 Y CA -0.628 57.531 58.100 0.099 0.000 1.057 69 Y CB 2.157 40.679 38.460 0.103 0.000 1.220 69 Y HN 0.090 nan 8.280 nan 0.000 0.440 70 T N 1.911 116.382 114.554 -0.140 0.000 2.893 70 T HA 0.180 4.530 4.350 -0.001 0.000 0.293 70 T C 0.033 174.687 174.700 -0.076 0.000 1.027 70 T CA -0.577 61.556 62.100 0.054 0.000 0.988 70 T CB 1.174 70.104 68.868 0.104 0.000 1.043 70 T HN 0.745 nan 8.240 nan 0.000 0.461 71 Y N 2.932 123.279 120.300 0.077 0.000 2.333 71 Y HA -0.093 4.456 4.550 -0.001 0.000 0.290 71 Y C 2.581 178.585 175.900 0.175 0.000 1.144 71 Y CA 2.281 60.477 58.100 0.160 0.000 1.228 71 Y CB -0.135 38.388 38.460 0.106 0.000 0.985 71 Y HN 0.882 nan 8.280 nan 0.000 0.542 72 T N -1.781 112.863 114.554 0.150 0.000 3.129 72 T HA 0.369 4.718 4.350 -0.001 0.000 0.251 72 T C 0.774 175.415 174.700 -0.098 0.000 1.117 72 T CA 0.157 62.290 62.100 0.054 0.000 1.034 72 T CB -0.509 68.405 68.868 0.077 0.000 0.968 72 T HN 0.318 nan 8.240 nan 0.000 0.526 73 A N 1.860 124.588 122.820 -0.153 0.000 2.425 73 A HA 0.455 4.774 4.320 -0.001 0.000 0.249 73 A C 1.144 178.505 177.584 -0.372 0.000 1.084 73 A CA -0.673 51.226 52.037 -0.230 0.000 0.781 73 A CB 0.263 19.145 19.000 -0.196 0.000 1.019 73 A HN 0.287 nan 8.150 nan 0.000 0.490 74 N N 0.565 118.958 118.700 -0.512 0.000 2.376 74 N HA 0.011 4.751 4.740 -0.001 0.000 0.177 74 N C -0.184 174.917 175.510 -0.682 0.000 1.024 74 N CA 1.055 53.562 53.050 -0.906 0.000 0.893 74 N CB 0.095 37.663 38.487 -1.531 0.000 0.980 74 N HN 0.649 nan 8.380 nan 0.000 0.439 75 K N 0.406 120.595 120.400 -0.352 0.000 2.371 75 K HA 0.493 4.813 4.320 -0.001 0.000 0.251 75 K C -0.748 175.813 176.600 -0.066 0.000 0.934 75 K CA -0.534 55.649 56.287 -0.172 0.000 0.798 75 K CB 2.639 34.955 32.500 -0.306 0.000 1.204 75 K HN -0.155 nan 8.250 nan 0.000 0.427 76 I N 3.359 123.868 120.570 -0.101 0.000 2.336 76 I HA 0.238 4.407 4.170 -0.001 0.000 0.292 76 I C 1.390 177.381 176.117 -0.209 0.000 0.991 76 I CA -0.354 60.781 61.300 -0.275 0.000 1.227 76 I CB 1.074 38.777 38.000 -0.495 0.000 1.366 76 I HN 0.666 nan 8.210 nan 0.000 0.466 77 R N 4.462 124.833 120.500 -0.216 0.000 2.437 77 R HA 0.463 4.802 4.340 -0.001 0.000 0.257 77 R C 0.219 176.431 176.300 -0.148 0.000 0.927 77 R CA -0.059 55.950 56.100 -0.152 0.000 1.078 77 R CB 0.905 31.121 30.300 -0.141 0.000 1.161 77 R HN 0.700 nan 8.270 nan 0.000 0.529 78 G N 0.581 109.233 108.800 -0.247 0.000 2.489 78 G HA2 0.461 4.420 3.960 -0.001 0.000 0.291 78 G HA3 0.461 4.420 3.960 -0.001 0.000 0.291 78 G C -1.948 172.710 174.900 -0.403 0.000 1.487 78 G CA -0.846 44.157 45.100 -0.162 0.000 0.795 78 G HN 0.034 nan 8.290 nan 0.000 0.513 79 F N 0.823 120.834 119.950 0.102 0.000 2.449 79 F HA 0.658 5.185 4.527 -0.001 0.000 0.342 79 F C 0.401 176.340 175.800 0.233 0.000 1.127 79 F CA -0.742 57.385 58.000 0.211 0.000 0.975 79 F CB 2.611 41.862 39.000 0.418 0.000 1.146 79 F HN 0.364 nan 8.300 nan 0.000 0.444 80 K N 3.172 123.690 120.400 0.197 0.000 2.324 80 K HA 0.343 4.663 4.320 -0.001 0.000 0.253 80 K C -0.981 175.135 176.600 -0.807 0.000 0.932 80 K CA -0.721 55.410 56.287 -0.261 0.000 0.799 80 K CB 1.900 34.260 32.500 -0.234 0.000 1.154 80 K HN 0.750 nan 8.250 nan 0.000 0.425 81 Q N 2.288 121.115 119.800 -1.622 0.000 2.304 81 Q HA 0.138 4.478 4.340 -0.001 0.000 0.260 81 Q C -1.168 174.217 176.000 -1.024 0.000 0.965 81 Q CA 0.272 54.960 55.803 -1.860 0.000 0.898 81 Q CB 1.279 28.880 28.738 -1.894 0.000 1.196 81 Q HN 0.630 nan 8.270 nan 0.000 0.402 82 T N 2.248 116.271 114.554 -0.884 0.000 2.900 82 T HA 0.396 4.745 4.350 -0.001 0.000 0.303 82 T C -0.913 173.312 174.700 -0.792 0.000 1.142 82 T CA -0.478 61.242 62.100 -0.634 0.000 1.007 82 T CB 0.969 69.538 68.868 -0.498 0.000 1.156 82 T HN 0.796 nan 8.240 nan 0.000 0.490 83 H N 0.599 119.466 119.070 -0.338 0.000 3.233 83 H HA 0.363 4.918 4.556 -0.001 0.000 0.263 83 H C 0.593 175.889 175.328 -0.054 0.000 1.168 83 H CA -0.353 55.487 56.048 -0.346 0.000 1.159 83 H CB 0.582 29.845 29.762 -0.831 0.000 1.593 83 H HN 0.448 nan 8.280 nan 0.000 0.580 84 Q N 3.812 123.664 119.800 0.087 0.000 2.262 84 Q HA -0.013 4.327 4.340 -0.001 0.000 0.298 84 Q C -1.555 174.681 176.000 0.393 0.000 1.083 84 Q CA -1.058 54.858 55.803 0.189 0.000 0.962 84 Q CB 0.939 29.710 28.738 0.055 0.000 1.104 84 Q HN 0.234 nan 8.270 nan 0.000 0.376 85 P HA 0.010 nan 4.420 nan 0.000 0.239 85 P C -0.597 176.674 177.300 -0.049 0.000 1.188 85 P CA 0.521 63.602 63.100 -0.031 0.000 0.794 85 P CB 0.526 32.283 31.700 0.094 0.000 0.937 86 S N -2.224 113.491 115.700 0.026 0.000 2.578 86 S HA 0.360 4.829 4.470 -0.001 0.000 0.272 86 S C -2.740 171.721 174.600 -0.232 0.000 1.145 86 S CA -1.040 57.129 58.200 -0.051 0.000 0.835 86 S CB 1.367 64.617 63.200 0.084 0.000 1.104 86 S HN -0.258 nan 8.310 nan 0.000 0.458 87 P HA 0.030 nan 4.420 nan 0.000 0.223 87 P C 0.608 177.457 177.300 -0.753 0.000 1.151 87 P CA 0.950 63.471 63.100 -0.964 0.000 0.787 87 P CB -0.230 30.226 31.700 -2.072 0.000 0.788 88 W N -0.238 120.910 121.300 -0.253 0.000 2.441 88 W HA 0.043 4.703 4.660 -0.001 0.000 0.302 88 W C 2.344 178.768 176.519 -0.159 0.000 1.191 88 W CA -0.096 57.167 57.345 -0.137 0.000 1.327 88 W CB -1.102 28.299 29.460 -0.097 0.000 1.128 88 W HN -0.233 nan 8.180 nan 0.000 0.522 89 I N 0.246 120.801 120.570 -0.025 0.000 2.315 89 I HA -0.182 3.987 4.170 -0.001 0.000 0.248 89 I C 1.330 177.404 176.117 -0.070 0.000 1.117 89 I CA 1.334 62.544 61.300 -0.150 0.000 1.404 89 I CB -1.479 36.334 38.000 -0.313 0.000 1.071 89 I HN 0.229 nan 8.210 nan 0.000 0.419 90 N N 0.670 119.330 118.700 -0.066 0.000 5.833 90 N HA -0.211 4.528 4.740 -0.001 0.000 0.357 90 N C -0.308 175.221 175.510 0.031 0.000 0.922 90 N CA 1.118 54.145 53.050 -0.039 0.000 1.099 90 N CB -0.533 37.944 38.487 -0.017 0.000 0.862 90 N HN 0.217 nan 8.380 nan 0.000 0.427 91 D N -0.985 119.449 120.400 0.055 0.000 2.450 91 D HA 0.755 5.394 4.640 -0.001 0.000 0.238 91 D C -0.880 175.533 176.300 0.188 0.000 1.020 91 D CA 0.009 54.050 54.000 0.068 0.000 1.010 91 D CB 1.027 41.819 40.800 -0.013 0.000 1.342 91 D HN 0.450 nan 8.370 nan 0.000 0.530 92 Y N -2.679 117.695 120.300 0.124 0.000 2.689 92 Y HA 0.504 5.053 4.550 -0.001 0.000 0.333 92 Y C 0.310 176.435 175.900 0.375 0.000 1.208 92 Y CA -1.130 57.072 58.100 0.170 0.000 1.055 92 Y CB 0.671 39.118 38.460 -0.021 0.000 1.304 92 Y HN 0.516 nan 8.280 nan 0.000 0.455 93 G N 2.018 111.228 108.800 0.683 0.000 2.386 93 G HA2 -0.102 3.858 3.960 -0.001 0.000 0.295 93 G HA3 -0.102 3.858 3.960 -0.001 0.000 0.295 93 G C -0.742 174.302 174.900 0.240 0.000 0.979 93 G CA 0.528 45.946 45.100 0.530 0.000 1.193 93 G HN 0.991 nan 8.290 nan 0.000 0.508 94 Q N -0.559 119.263 119.800 0.038 0.000 2.321 94 Q HA 0.817 5.157 4.340 -0.001 0.000 0.270 94 Q C -0.418 175.171 176.000 -0.684 0.000 1.032 94 Q CA -1.284 54.288 55.803 -0.386 0.000 0.784 94 Q CB 2.015 30.489 28.738 -0.440 0.000 1.264 94 Q HN 1.010 nan 8.270 nan 0.000 0.448 95 F N -0.631 118.785 119.950 -0.891 0.000 2.685 95 F HA 0.848 5.374 4.527 -0.001 0.000 0.315 95 F C -1.372 174.121 175.800 -0.512 0.000 1.126 95 F CA -0.776 56.737 58.000 -0.812 0.000 0.950 95 F CB 1.618 40.217 39.000 -0.668 0.000 1.360 95 F HN 0.675 nan 8.300 nan 0.000 0.469 96 S N 1.700 117.346 115.700 -0.090 0.000 2.588 96 S HA 0.807 5.277 4.470 -0.001 0.000 0.275 96 S C -1.624 173.080 174.600 0.174 0.000 1.130 96 S CA -0.730 57.474 58.200 0.007 0.000 0.855 96 S CB 1.948 65.250 63.200 0.169 0.000 1.116 96 S HN 1.122 nan 8.310 nan 0.000 0.472 97 I N 1.465 122.132 120.570 0.160 0.000 2.646 97 I HA 0.785 4.955 4.170 -0.001 0.000 0.299 97 I C -1.612 174.607 176.117 0.170 0.000 1.036 97 I CA -1.245 60.129 61.300 0.123 0.000 1.074 97 I CB 2.069 40.039 38.000 -0.049 0.000 1.258 97 I HN 0.890 nan 8.210 nan 0.000 0.430 98 M N 10.193 129.841 119.600 0.079 0.000 2.221 98 M HA 0.497 4.977 4.480 -0.001 0.000 0.259 98 M C -2.887 173.346 176.300 -0.111 0.000 1.001 98 M CA -1.780 53.568 55.300 0.079 0.000 1.009 98 M CB 2.040 34.668 32.600 0.046 0.000 1.939 98 M HN 0.122 nan 8.290 nan 0.000 0.477 99 P HA 0.528 nan 4.420 nan 0.000 0.285 99 P C -1.101 176.067 177.300 -0.219 0.000 1.259 99 P CA -0.222 62.663 63.100 -0.359 0.000 0.794 99 P CB 0.614 31.868 31.700 -0.742 0.000 0.940 100 I N -0.130 120.333 120.570 -0.179 0.000 3.279 100 I HA 0.780 4.950 4.170 -0.001 0.000 0.315 100 I C -1.497 174.543 176.117 -0.129 0.000 1.187 100 I CA -1.401 59.596 61.300 -0.505 0.000 0.953 100 I CB 2.336 40.054 38.000 -0.470 0.000 1.279 100 I HN 0.083 nan 8.210 nan 0.000 0.465 101 V N 1.254 121.062 119.914 -0.177 0.000 3.049 101 V HA 0.876 4.995 4.120 -0.001 0.000 0.309 101 V C 0.471 176.653 176.094 0.146 0.000 1.148 101 V CA 0.720 63.077 62.300 0.095 0.000 0.990 101 V CB 1.447 33.374 31.823 0.173 0.000 1.039 101 V HN 1.449 nan 8.190 nan 0.000 0.430 102 G N 3.682 112.595 108.800 0.189 0.000 2.936 102 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.237 102 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.237 102 G C -0.431 174.546 174.900 0.128 0.000 1.403 102 G CA -0.063 45.127 45.100 0.150 0.000 1.011 102 G HN 0.718 nan 8.290 nan 0.000 0.568 103 Q N 2.299 122.097 119.800 -0.003 0.000 2.259 103 Q HA 0.462 4.802 4.340 -0.001 0.000 0.246 103 Q C -2.280 173.491 176.000 -0.382 0.000 0.920 103 Q CA -1.477 54.233 55.803 -0.156 0.000 0.895 103 Q CB 1.504 30.163 28.738 -0.132 0.000 1.220 103 Q HN 0.467 nan 8.270 nan 0.000 0.439 104 P HA 0.075 nan 4.420 nan 0.000 0.279 104 P C -0.709 176.342 177.300 -0.415 0.000 1.318 104 P CA -0.111 62.406 63.100 -0.972 0.000 0.819 104 P CB 0.223 31.160 31.700 -1.271 0.000 0.927 105 V N 1.344 121.091 119.914 -0.278 0.000 2.531 105 V HA 0.408 4.528 4.120 -0.001 0.000 0.301 105 V C 0.451 176.517 176.094 -0.045 0.000 1.034 105 V CA -0.708 61.521 62.300 -0.118 0.000 0.865 105 V CB 1.542 33.313 31.823 -0.086 0.000 0.995 105 V HN 0.270 nan 8.190 nan 0.000 0.424 106 F N 2.547 122.417 119.950 -0.134 0.000 2.446 106 F HA 0.277 4.804 4.527 -0.001 0.000 0.292 106 F C 1.345 177.088 175.800 -0.095 0.000 1.096 106 F CA 0.465 58.396 58.000 -0.114 0.000 1.438 106 F CB 0.147 39.069 39.000 -0.129 0.000 1.107 106 F HN 0.831 nan 8.300 nan 0.000 0.546 107 D N 1.184 121.559 120.400 -0.041 0.000 2.583 107 D HA -0.142 4.497 4.640 -0.001 0.000 0.232 107 D C 1.338 177.530 176.300 -0.180 0.000 1.128 107 D CA 0.686 54.628 54.000 -0.096 0.000 0.859 107 D CB 0.565 41.343 40.800 -0.038 0.000 1.169 107 D HN 0.612 nan 8.370 nan 0.000 0.481 108 E N 2.354 122.433 120.200 -0.203 0.000 2.338 108 E HA -0.203 4.147 4.350 -0.001 0.000 0.197 108 E C 0.903 177.422 176.600 -0.134 0.000 1.007 108 E CA 0.916 57.196 56.400 -0.200 0.000 0.849 108 E CB 0.009 29.584 29.700 -0.207 0.000 0.774 108 E HN 0.658 nan 8.360 nan 0.000 0.506 109 E N 1.124 121.262 120.200 -0.102 0.000 2.102 109 E HA -0.018 4.331 4.350 -0.001 0.000 0.190 109 E C 1.875 178.439 176.600 -0.060 0.000 0.971 109 E CA 0.551 56.902 56.400 -0.082 0.000 0.821 109 E CB 0.110 29.769 29.700 -0.068 0.000 0.777 109 E HN 0.206 nan 8.360 nan 0.000 0.460 110 K N 1.018 121.388 120.400 -0.050 0.000 2.228 110 K HA -0.063 4.257 4.320 -0.001 0.000 0.202 110 K C 2.234 178.837 176.600 0.006 0.000 1.051 110 K CA 0.771 57.044 56.287 -0.023 0.000 0.960 110 K CB 0.006 32.491 32.500 -0.025 0.000 0.743 110 K HN 0.056 nan 8.250 nan 0.000 0.458 111 R N 0.825 121.317 120.500 -0.013 0.000 2.240 111 R HA 0.167 4.507 4.340 -0.001 0.000 0.203 111 R C 0.656 177.039 176.300 0.138 0.000 1.011 111 R CA 0.316 56.443 56.100 0.044 0.000 1.007 111 R CB -0.093 30.172 30.300 -0.057 0.000 0.911 111 R HN -0.075 nan 8.270 nan 0.000 0.468 112 A N 1.414 124.248 122.820 0.023 0.000 2.425 112 A HA 0.278 4.598 4.320 -0.001 0.000 0.242 112 A C -0.236 177.322 177.584 -0.043 0.000 1.077 112 A CA 0.117 52.143 52.037 -0.019 0.000 0.781 112 A CB 0.693 19.641 19.000 -0.086 0.000 1.020 112 A HN 0.375 nan 8.150 nan 0.000 0.494 113 S N 0.273 115.936 115.700 -0.063 0.000 2.538 113 S HA 0.489 4.958 4.470 -0.001 0.000 0.288 113 S C -0.866 173.750 174.600 0.026 0.000 1.108 113 S CA -0.560 57.583 58.200 -0.095 0.000 0.971 113 S CB 0.259 63.360 63.200 -0.165 0.000 1.041 113 S HN 0.578 nan 8.310 nan 0.000 0.483 114 W N 4.417 125.678 121.300 -0.065 0.000 2.364 114 W HA 0.298 4.958 4.660 -0.001 0.000 0.343 114 W C 0.210 176.783 176.519 0.090 0.000 1.237 114 W CA 0.744 58.078 57.345 -0.018 0.000 1.319 114 W CB 0.269 29.686 29.460 -0.072 0.000 1.179 114 W HN 0.587 nan 8.180 nan 0.000 0.578 115 F N 0.823 120.862 119.950 0.149 0.000 2.745 115 F HA 0.865 5.392 4.527 -0.001 0.000 0.316 115 F C -1.193 174.645 175.800 0.064 0.000 1.155 115 F CA -1.791 56.261 58.000 0.087 0.000 0.937 115 F CB 0.595 39.599 39.000 0.006 0.000 1.361 115 F HN 0.434 nan 8.300 nan 0.000 0.472 116 A N 0.242 122.921 122.820 -0.234 0.000 2.515 116 A HA 0.549 4.869 4.320 -0.001 0.000 0.296 116 A C -0.149 177.315 177.584 -0.200 0.000 1.094 116 A CA -0.711 51.043 52.037 -0.473 0.000 0.718 116 A CB 0.681 19.606 19.000 -0.126 0.000 1.307 116 A HN 0.987 nan 8.150 nan 0.000 0.408 117 H N 0.692 119.716 119.070 -0.076 0.000 2.456 117 H HA -0.044 4.512 4.556 -0.001 0.000 0.296 117 H C 0.998 176.411 175.328 0.143 0.000 1.079 117 H CA 1.700 57.819 56.048 0.117 0.000 1.322 117 H CB 0.213 30.004 29.762 0.049 0.000 1.388 117 H HN 0.652 nan 8.280 nan 0.000 0.538 118 K N 0.311 120.826 120.400 0.192 0.000 2.442 118 K HA -0.014 4.306 4.320 -0.001 0.000 0.198 118 K C 1.612 178.286 176.600 0.123 0.000 1.042 118 K CA 0.679 57.050 56.287 0.140 0.000 0.958 118 K CB 0.273 32.834 32.500 0.101 0.000 0.766 118 K HN 0.169 nan 8.250 nan 0.000 0.474 119 G N 1.089 109.985 108.800 0.159 0.000 3.605 119 G HA2 -0.005 3.954 3.960 -0.001 0.000 0.277 119 G HA3 -0.005 3.954 3.960 -0.001 0.000 0.277 119 G C -0.548 174.461 174.900 0.182 0.000 1.093 119 G CA -0.217 44.989 45.100 0.177 0.000 0.821 119 G HN 0.133 nan 8.290 nan 0.000 0.532 120 E N 0.431 120.724 120.200 0.154 0.000 2.256 120 E HA 0.512 4.861 4.350 -0.001 0.000 0.268 120 E C -1.560 175.030 176.600 -0.017 0.000 0.877 120 E CA -0.542 55.897 56.400 0.064 0.000 0.757 120 E CB 2.594 32.451 29.700 0.262 0.000 1.183 120 E HN -0.096 nan 8.360 nan 0.000 0.418 121 V N 2.608 122.398 119.914 -0.206 0.000 2.444 121 V HA 0.688 4.808 4.120 -0.001 0.000 0.294 121 V C -0.457 175.456 176.094 -0.302 0.000 1.022 121 V CA -0.667 61.541 62.300 -0.152 0.000 0.850 121 V CB 1.213 33.012 31.823 -0.040 0.000 0.992 121 V HN 0.734 nan 8.190 nan 0.000 0.426 122 A N 3.706 126.455 122.820 -0.118 0.000 2.311 122 A HA 0.893 5.213 4.320 -0.001 0.000 0.306 122 A C 0.033 177.537 177.584 -0.133 0.000 1.189 122 A CA -0.273 51.741 52.037 -0.038 0.000 0.791 122 A CB 1.345 20.436 19.000 0.152 0.000 1.172 122 A HN 0.954 nan 8.150 nan 0.000 0.481 123 T N -0.324 114.081 114.554 -0.248 0.000 2.887 123 T HA 0.697 5.047 4.350 -0.001 0.000 0.292 123 T C -2.523 171.858 174.700 -0.530 0.000 1.087 123 T CA -1.801 60.018 62.100 -0.469 0.000 1.009 123 T CB 1.756 70.155 68.868 -0.782 0.000 1.203 123 T HN 0.100 nan 8.240 nan 0.000 0.518 124 P HA 0.000 nan 4.420 nan 0.000 0.220 124 P C 0.823 178.018 177.300 -0.176 0.000 1.148 124 P CA 0.950 63.694 63.100 -0.594 0.000 0.803 124 P CB -0.298 30.625 31.700 -1.294 0.000 0.782 125 Y N -3.955 116.322 120.300 -0.038 0.000 2.449 125 Y HA 0.430 4.979 4.550 -0.001 0.000 0.254 125 Y C 0.278 176.272 175.900 0.156 0.000 1.140 125 Y CA -1.046 57.135 58.100 0.134 0.000 1.272 125 Y CB -0.302 38.264 38.460 0.177 0.000 1.114 125 Y HN -0.139 nan 8.280 nan 0.000 0.525 126 Y N 0.276 120.342 120.300 -0.389 0.000 2.474 126 Y HA 0.466 5.016 4.550 -0.001 0.000 0.326 126 Y C -2.458 173.324 175.900 -0.196 0.000 1.160 126 Y CA -2.309 55.642 58.100 -0.248 0.000 1.056 126 Y CB 1.075 39.397 38.460 -0.229 0.000 1.330 126 Y HN 0.023 nan 8.280 nan 0.000 0.447 127 Y N 6.401 126.237 120.300 -0.773 0.000 2.373 127 Y HA 0.593 5.143 4.550 -0.001 0.000 0.336 127 Y C -1.491 173.954 175.900 -0.758 0.000 0.979 127 Y CA -0.834 56.899 58.100 -0.611 0.000 1.080 127 Y CB 1.427 39.709 38.460 -0.298 0.000 1.190 127 Y HN 0.694 nan 8.280 nan 0.000 0.446 128 K N 5.535 125.246 120.400 -1.148 0.000 2.422 128 K HA 0.820 5.140 4.320 -0.001 0.000 0.251 128 K C -2.427 173.812 176.600 -0.603 0.000 0.933 128 K CA -0.822 55.043 56.287 -0.703 0.000 0.798 128 K CB 2.268 34.517 32.500 -0.419 0.000 1.238 128 K HN 0.560 nan 8.250 nan 0.000 0.428 129 V N 4.119 123.921 119.914 -0.188 0.000 3.012 129 V HA 0.410 4.529 4.120 -0.001 0.000 0.307 129 V C -2.068 174.142 176.094 0.193 0.000 1.166 129 V CA -0.746 61.573 62.300 0.032 0.000 0.974 129 V CB 1.922 33.826 31.823 0.135 0.000 1.040 129 V HN 0.811 nan 8.190 nan 0.000 0.428 130 Y N 5.817 126.186 120.300 0.115 0.000 2.335 130 Y HA 0.641 5.190 4.550 -0.001 0.000 0.339 130 Y C -0.456 175.557 175.900 0.187 0.000 0.987 130 Y CA -0.724 57.454 58.100 0.130 0.000 1.140 130 Y CB 1.285 39.805 38.460 0.100 0.000 1.173 130 Y HN 0.575 nan 8.280 nan 0.000 0.486 131 L N 7.800 128.818 121.223 -0.342 0.000 2.312 131 L HA 0.336 4.676 4.340 -0.001 0.000 0.287 131 L C 1.253 177.798 176.870 -0.542 0.000 1.091 131 L CA -0.110 54.590 54.840 -0.232 0.000 0.846 131 L CB 0.797 42.856 42.059 0.000 0.000 1.219 131 L HN 0.949 nan 8.230 nan 0.000 0.439 132 A N 2.724 125.345 122.820 -0.331 0.000 1.933 132 A HA -0.149 4.170 4.320 -0.001 0.000 0.218 132 A C 1.936 179.425 177.584 -0.159 0.000 1.175 132 A CA 1.382 53.270 52.037 -0.248 0.000 0.628 132 A CB -0.161 18.863 19.000 0.041 0.000 0.814 132 A HN 0.801 nan 8.150 nan 0.000 0.444 133 E N -1.432 118.667 120.200 -0.167 0.000 2.481 133 E HA -0.054 4.296 4.350 -0.001 0.000 0.195 133 E C 0.834 177.286 176.600 -0.246 0.000 1.047 133 E CA 0.369 56.647 56.400 -0.204 0.000 0.867 133 E CB 0.039 29.597 29.700 -0.238 0.000 0.858 133 E HN 0.693 nan 8.360 nan 0.000 0.513 134 H N -0.532 118.514 119.070 -0.040 0.000 2.827 134 H HA 0.050 4.606 4.556 -0.001 0.000 0.269 134 H C 0.055 175.381 175.328 -0.003 0.000 1.031 134 H CA 0.164 56.209 56.048 -0.006 0.000 1.202 134 H CB 0.525 30.287 29.762 -0.000 0.000 1.511 134 H HN 0.046 nan 8.280 nan 0.000 0.517 135 D N 0.892 121.298 120.400 0.010 0.000 2.689 135 D HA -0.184 4.455 4.640 -0.001 0.000 0.237 135 D C -0.633 175.755 176.300 0.146 0.000 1.148 135 D CA 0.359 54.425 54.000 0.111 0.000 0.656 135 D CB -1.544 39.387 40.800 0.217 0.000 1.050 135 D HN 0.408 nan 8.370 nan 0.000 0.426 136 I N -0.154 120.408 120.570 -0.015 0.000 2.465 136 I HA 0.334 4.503 4.170 -0.001 0.000 0.291 136 I C 0.266 176.426 176.117 0.071 0.000 1.014 136 I CA -1.241 60.057 61.300 -0.004 0.000 1.093 136 I CB 2.131 40.046 38.000 -0.141 0.000 1.267 136 I HN -0.251 nan 8.210 nan 0.000 0.431 137 V N 4.777 124.779 119.914 0.148 0.000 2.407 137 V HA 0.335 4.454 4.120 -0.001 0.000 0.278 137 V C 0.134 176.274 176.094 0.077 0.000 1.037 137 V CA -0.187 62.215 62.300 0.169 0.000 0.900 137 V CB 1.480 33.402 31.823 0.166 0.000 0.983 137 V HN 0.727 nan 8.190 nan 0.000 0.459 138 T N 5.475 120.063 114.554 0.056 0.000 2.779 138 T HA 0.525 4.874 4.350 -0.001 0.000 0.280 138 T C -0.471 174.122 174.700 -0.179 0.000 0.987 138 T CA -0.529 61.538 62.100 -0.054 0.000 0.966 138 T CB 1.015 69.741 68.868 -0.237 0.000 0.933 138 T HN 0.748 nan 8.240 nan 0.000 0.442 139 E N 3.028 123.063 120.200 -0.276 0.000 2.266 139 E HA 0.675 5.025 4.350 -0.001 0.000 0.268 139 E C -0.543 175.739 176.600 -0.529 0.000 0.879 139 E CA -0.884 55.294 56.400 -0.370 0.000 0.762 139 E CB 2.234 31.805 29.700 -0.215 0.000 1.199 139 E HN 0.632 nan 8.360 nan 0.000 0.422 140 M N -0.380 118.857 119.600 -0.606 0.000 2.433 140 M HA 0.608 5.087 4.480 -0.001 0.000 0.290 140 M C -1.227 174.793 176.300 -0.466 0.000 1.173 140 M CA -0.825 53.984 55.300 -0.818 0.000 0.905 140 M CB 2.254 34.035 32.600 -1.365 0.000 1.692 140 M HN 0.375 nan 8.290 nan 0.000 0.462 141 T N 0.291 114.615 114.554 -0.384 0.000 2.965 141 T HA 0.715 5.064 4.350 -0.001 0.000 0.306 141 T C -3.175 171.431 174.700 -0.156 0.000 0.991 141 T CA -1.279 60.743 62.100 -0.129 0.000 1.001 141 T CB 1.589 70.475 68.868 0.029 0.000 0.984 141 T HN 0.585 nan 8.240 nan 0.000 0.446 142 P HA 0.472 nan 4.420 nan 0.000 0.285 142 P C 0.131 177.477 177.300 0.077 0.000 1.269 142 P CA -0.313 62.775 63.100 -0.021 0.000 0.844 142 P CB 1.600 33.354 31.700 0.090 0.000 1.094 143 T N -2.657 111.949 114.554 0.086 0.000 2.898 143 T HA 0.296 4.646 4.350 -0.001 0.000 0.283 143 T C 1.229 176.023 174.700 0.156 0.000 1.059 143 T CA -0.357 61.809 62.100 0.109 0.000 0.958 143 T CB 0.182 69.100 68.868 0.084 0.000 1.594 143 T HN 0.316 nan 8.240 nan 0.000 0.598 144 E N 0.170 120.452 120.200 0.137 0.000 2.077 144 E HA -0.090 4.259 4.350 -0.001 0.000 0.193 144 E C 2.096 178.803 176.600 0.178 0.000 0.989 144 E CA 1.083 57.574 56.400 0.152 0.000 0.800 144 E CB 0.002 29.761 29.700 0.099 0.000 0.746 144 E HN 0.462 nan 8.360 nan 0.000 0.452 145 R N -1.447 119.152 120.500 0.164 0.000 2.517 145 R HA 0.321 4.660 4.340 -0.001 0.000 0.265 145 R C -0.073 176.365 176.300 0.229 0.000 0.921 145 R CA 0.045 56.254 56.100 0.181 0.000 1.054 145 R CB 1.481 31.850 30.300 0.116 0.000 1.340 145 R HN -0.050 nan 8.270 nan 0.000 0.551 146 A N 0.491 123.429 122.820 0.197 0.000 2.387 146 A HA 0.823 5.142 4.320 -0.001 0.000 0.298 146 A C -1.314 176.323 177.584 0.087 0.000 1.165 146 A CA -0.633 51.507 52.037 0.172 0.000 0.814 146 A CB 2.112 21.178 19.000 0.111 0.000 1.357 146 A HN -0.058 nan 8.150 nan 0.000 0.443 147 V N -0.105 119.782 119.914 -0.045 0.000 3.077 147 V HA 0.600 4.720 4.120 -0.001 0.000 0.299 147 V C -2.092 173.844 176.094 -0.263 0.000 1.276 147 V CA -0.528 61.596 62.300 -0.293 0.000 0.993 147 V CB 1.957 33.270 31.823 -0.850 0.000 1.076 147 V HN 1.168 nan 8.190 nan 0.000 0.434 148 L N 5.674 126.709 121.223 -0.314 0.000 2.296 148 L HA 0.744 5.083 4.340 -0.001 0.000 0.286 148 L C -1.255 175.339 176.870 -0.460 0.000 1.023 148 L CA 0.190 54.878 54.840 -0.252 0.000 0.812 148 L CB 1.337 43.304 42.059 -0.153 0.000 1.223 148 L HN 0.573 nan 8.230 nan 0.000 0.421 149 F N 4.178 123.880 119.950 -0.413 0.000 2.450 149 F HA 0.619 5.145 4.527 -0.001 0.000 0.332 149 F C 0.250 175.676 175.800 -0.623 0.000 1.093 149 F CA -0.404 57.219 58.000 -0.628 0.000 1.003 149 F CB 1.497 39.975 39.000 -0.869 0.000 1.151 149 F HN 0.384 nan 8.300 nan 0.000 0.474 150 R N 3.670 123.881 120.500 -0.482 0.000 2.451 150 R HA 0.501 4.840 4.340 -0.001 0.000 0.307 150 R C -1.956 174.118 176.300 -0.376 0.000 0.965 150 R CA -0.491 55.413 56.100 -0.326 0.000 0.865 150 R CB 0.711 30.929 30.300 -0.137 0.000 1.174 150 R HN 0.545 nan 8.270 nan 0.000 0.455 151 F N 2.209 122.196 119.950 0.062 0.000 2.404 151 F HA 0.329 4.855 4.527 -0.001 0.000 0.354 151 F C 0.367 176.122 175.800 -0.075 0.000 1.122 151 F CA -0.810 57.138 58.000 -0.087 0.000 1.080 151 F CB 2.280 41.177 39.000 -0.171 0.000 1.131 151 F HN 0.252 nan 8.300 nan 0.000 0.471 152 T N 4.534 119.116 114.554 0.045 0.000 2.781 152 T HA 0.384 4.733 4.350 -0.001 0.000 0.305 152 T C -0.439 174.282 174.700 0.035 0.000 1.001 152 T CA -0.337 61.818 62.100 0.091 0.000 0.950 152 T CB -0.100 68.826 68.868 0.096 0.000 0.955 152 T HN 0.171 nan 8.240 nan 0.000 0.471 153 F N 5.083 125.140 119.950 0.179 0.000 2.378 153 F HA 0.449 4.976 4.527 -0.001 0.000 0.325 153 F C -1.530 174.347 175.800 0.129 0.000 1.097 153 F CA -2.093 56.002 58.000 0.158 0.000 1.079 153 F CB 0.956 40.052 39.000 0.160 0.000 1.240 153 F HN 0.332 nan 8.300 nan 0.000 0.519 154 P HA 0.052 nan 4.420 nan 0.000 0.293 154 P C -1.106 176.302 177.300 0.181 0.000 1.304 154 P CA -0.573 62.661 63.100 0.224 0.000 0.767 154 P CB 0.512 32.333 31.700 0.202 0.000 1.247 155 E N 1.007 121.278 120.200 0.119 0.000 2.265 155 E HA 0.089 4.439 4.350 -0.001 0.000 0.272 155 E C -0.641 175.996 176.600 0.062 0.000 1.067 155 E CA 0.018 56.463 56.400 0.074 0.000 0.900 155 E CB -0.225 29.507 29.700 0.053 0.000 1.017 155 E HN 0.264 nan 8.360 nan 0.000 0.431 156 N N 3.759 122.474 118.700 0.025 0.000 2.446 156 N HA 0.045 4.785 4.740 -0.001 0.000 0.272 156 N C -0.701 174.741 175.510 -0.114 0.000 1.127 156 N CA -0.461 52.584 53.050 -0.010 0.000 0.896 156 N CB 1.770 40.278 38.487 0.034 0.000 1.658 156 N HN 0.383 nan 8.380 nan 0.000 0.483 157 D N -0.122 120.161 120.400 -0.195 0.000 2.224 157 D HA -0.009 4.631 4.640 -0.001 0.000 0.205 157 D C -0.270 175.599 176.300 -0.720 0.000 0.965 157 D CA 1.359 55.089 54.000 -0.450 0.000 0.852 157 D CB 0.169 40.633 40.800 -0.559 0.000 0.947 157 D HN 0.407 nan 8.370 nan 0.000 0.494 158 H N -0.070 118.882 119.070 -0.197 0.000 2.541 158 H HA 0.394 4.950 4.556 -0.001 0.000 0.246 158 H C -0.498 174.479 175.328 -0.586 0.000 1.341 158 H CA -0.258 55.538 56.048 -0.420 0.000 1.469 158 H CB 0.500 30.164 29.762 -0.162 0.000 1.472 158 H HN -0.206 nan 8.280 nan 0.000 0.503 159 S N 2.277 117.544 115.700 -0.721 0.000 2.509 159 S HA 0.593 5.063 4.470 -0.001 0.000 0.297 159 S C -0.682 173.233 174.600 -1.141 0.000 1.118 159 S CA -0.513 57.272 58.200 -0.692 0.000 1.074 159 S CB 1.082 63.846 63.200 -0.727 0.000 1.038 159 S HN 0.370 nan 8.310 nan 0.000 0.498 160 Y N -0.089 119.965 120.300 -0.410 0.000 2.581 160 Y HA 0.618 5.168 4.550 -0.001 0.000 0.345 160 Y C -0.471 175.268 175.900 -0.267 0.000 1.036 160 Y CA -1.131 56.692 58.100 -0.461 0.000 1.042 160 Y CB 1.367 39.611 38.460 -0.360 0.000 1.289 160 Y HN 0.308 nan 8.280 nan 0.000 0.471 161 V N 2.692 122.536 119.914 -0.116 0.000 2.487 161 V HA 0.502 4.621 4.120 -0.001 0.000 0.298 161 V C -0.789 175.299 176.094 -0.009 0.000 1.028 161 V CA -0.887 61.377 62.300 -0.059 0.000 0.860 161 V CB 1.689 33.538 31.823 0.042 0.000 0.991 161 V HN 0.543 nan 8.190 nan 0.000 0.427 162 V N 5.502 125.422 119.914 0.010 0.000 2.427 162 V HA 0.502 4.621 4.120 -0.001 0.000 0.286 162 V C -0.191 175.991 176.094 0.145 0.000 1.034 162 V CA -0.527 61.818 62.300 0.074 0.000 0.893 162 V CB 1.891 33.717 31.823 0.005 0.000 0.982 162 V HN 0.605 nan 8.190 nan 0.000 0.452 163 V N 3.747 123.804 119.914 0.239 0.000 2.409 163 V HA 0.456 4.575 4.120 -0.001 0.000 0.291 163 V C -0.590 175.747 176.094 0.405 0.000 1.020 163 V CA -0.479 61.997 62.300 0.294 0.000 0.848 163 V CB 1.824 33.830 31.823 0.305 0.000 0.990 163 V HN 0.883 nan 8.190 nan 0.000 0.430 164 D N 3.800 124.438 120.400 0.396 0.000 2.440 164 D HA 0.523 5.163 4.640 -0.001 0.000 0.239 164 D C 0.541 177.194 176.300 0.589 0.000 1.084 164 D CA -0.364 53.964 54.000 0.547 0.000 0.843 164 D CB 2.234 43.242 40.800 0.346 0.000 1.097 164 D HN 0.564 nan 8.370 nan 0.000 0.531 165 A N 3.935 127.111 122.820 0.593 0.000 2.238 165 A HA 0.250 4.569 4.320 -0.001 0.000 0.208 165 A C 0.365 178.283 177.584 0.556 0.000 1.177 165 A CA 0.000 52.339 52.037 0.503 0.000 0.804 165 A CB -0.532 18.746 19.000 0.464 0.000 0.823 165 A HN 0.556 nan 8.150 nan 0.000 0.482 166 F N -0.609 119.478 119.950 0.229 0.000 2.182 166 F HA -0.181 4.345 4.527 -0.001 0.000 0.318 166 F C 0.558 176.172 175.800 -0.310 0.000 0.197 166 F CA 0.437 58.387 58.000 -0.084 0.000 0.911 166 F CB -1.014 37.992 39.000 0.009 0.000 4.132 166 F HN 0.582 nan 8.300 nan 0.000 0.140 167 D N 0.585 120.793 120.400 -0.320 0.000 2.530 167 D HA 0.374 5.013 4.640 -0.001 0.000 0.282 167 D C 0.075 176.401 176.300 0.043 0.000 1.204 167 D CA 0.135 54.003 54.000 -0.220 0.000 1.093 167 D CB 0.400 41.044 40.800 -0.261 0.000 1.154 167 D HN 0.502 nan 8.370 nan 0.000 0.593 168 K N -1.271 119.168 120.400 0.066 0.000 3.192 168 K HA -0.041 4.279 4.320 -0.001 0.000 0.278 168 K C 0.436 177.118 176.600 0.137 0.000 1.164 168 K CA 0.985 57.333 56.287 0.101 0.000 0.816 168 K CB -2.455 30.108 32.500 0.105 0.000 1.256 168 K HN 1.389 nan 8.250 nan 0.000 0.497 169 G N 0.053 108.943 108.800 0.150 0.000 3.055 169 G HA2 -0.020 3.939 3.960 -0.001 0.000 0.654 169 G HA3 -0.020 3.939 3.960 -0.001 0.000 0.654 169 G C -0.153 174.894 174.900 0.244 0.000 1.134 169 G CA 0.063 45.273 45.100 0.183 0.000 1.049 169 G HN 0.928 nan 8.290 nan 0.000 0.458 170 S N 1.149 116.977 115.700 0.214 0.000 2.806 170 S HA 0.925 5.395 4.470 -0.001 0.000 0.306 170 S C -0.858 173.737 174.600 -0.010 0.000 1.167 170 S CA -0.809 57.497 58.200 0.177 0.000 0.847 170 S CB 2.805 66.140 63.200 0.225 0.000 1.216 170 S HN 2.066 nan 8.310 nan 0.000 0.532 171 Y N -0.535 119.508 120.300 -0.427 0.000 2.552 171 Y HA 0.796 5.346 4.550 -0.001 0.000 0.337 171 Y C -2.055 173.642 175.900 -0.338 0.000 1.094 171 Y CA -0.999 56.777 58.100 -0.540 0.000 1.028 171 Y CB 1.340 39.091 38.460 -1.181 0.000 1.321 171 Y HN 0.974 nan 8.280 nan 0.000 0.456 172 I N 4.702 124.675 120.570 -0.995 0.000 2.827 172 I HA 0.549 4.719 4.170 -0.001 0.000 0.298 172 I C -1.850 173.735 176.117 -0.887 0.000 1.235 172 I CA -0.460 60.394 61.300 -0.745 0.000 1.021 172 I CB 2.155 39.999 38.000 -0.260 0.000 1.259 172 I HN 0.676 nan 8.210 nan 0.000 0.427 173 K N 6.749 126.800 120.400 -0.582 0.000 2.498 173 K HA 0.647 4.967 4.320 -0.001 0.000 0.254 173 K C -1.879 174.628 176.600 -0.154 0.000 0.933 173 K CA -0.565 55.513 56.287 -0.347 0.000 0.806 173 K CB 1.654 33.979 32.500 -0.291 0.000 1.301 173 K HN 0.565 nan 8.250 nan 0.000 0.432 174 I N 5.446 125.964 120.570 -0.087 0.000 2.321 174 I HA 0.322 4.491 4.170 -0.001 0.000 0.291 174 I C -0.416 175.739 176.117 0.064 0.000 0.998 174 I CA -0.781 60.526 61.300 0.012 0.000 1.227 174 I CB 1.316 39.302 38.000 -0.024 0.000 1.368 174 I HN 0.466 nan 8.210 nan 0.000 0.466 175 I N 8.701 129.355 120.570 0.139 0.000 2.503 175 I HA 0.246 4.416 4.170 -0.001 0.000 0.277 175 I C -1.563 174.647 176.117 0.155 0.000 1.078 175 I CA -1.457 59.907 61.300 0.107 0.000 1.184 175 I CB 0.891 38.924 38.000 0.056 0.000 1.353 175 I HN 0.376 nan 8.210 nan 0.000 0.490 176 P HA -0.154 nan 4.420 nan 0.000 0.218 176 P C 0.809 178.081 177.300 -0.046 0.000 1.149 176 P CA 1.392 64.553 63.100 0.102 0.000 0.817 176 P CB 0.253 32.028 31.700 0.125 0.000 0.785 177 E N 0.215 120.408 120.200 -0.012 0.000 2.418 177 E HA -0.099 4.251 4.350 -0.001 0.000 0.197 177 E C 1.274 177.852 176.600 -0.035 0.000 1.026 177 E CA 0.780 57.162 56.400 -0.030 0.000 0.862 177 E CB -0.508 29.185 29.700 -0.012 0.000 0.799 177 E HN 0.474 nan 8.360 nan 0.000 0.518 178 E N 0.266 120.452 120.200 -0.022 0.000 2.583 178 E HA 0.130 4.480 4.350 -0.001 0.000 0.213 178 E C -0.463 176.130 176.600 -0.013 0.000 0.989 178 E CA -0.323 56.074 56.400 -0.005 0.000 0.991 178 E CB 0.298 30.015 29.700 0.027 0.000 1.040 178 E HN 0.065 nan 8.360 nan 0.000 0.481 179 N N 2.321 120.937 118.700 -0.140 0.000 2.714 179 N HA -0.215 4.525 4.740 -0.001 0.000 0.252 179 N C -0.695 174.952 175.510 0.229 0.000 1.014 179 N CA 1.209 54.063 53.050 -0.327 0.000 0.735 179 N CB -0.851 37.494 38.487 -0.235 0.000 0.924 179 N HN 0.274 nan 8.380 nan 0.000 0.540 180 K N 0.345 120.983 120.400 0.398 0.000 2.422 180 K HA 0.630 4.950 4.320 -0.001 0.000 0.251 180 K C -0.883 175.983 176.600 0.443 0.000 0.933 180 K CA -0.631 55.910 56.287 0.423 0.000 0.798 180 K CB 1.449 34.070 32.500 0.201 0.000 1.238 180 K HN 0.081 nan 8.250 nan 0.000 0.428 181 I N 5.956 126.761 120.570 0.393 0.000 2.466 181 I HA 0.405 4.575 4.170 -0.001 0.000 0.289 181 I C -0.264 175.955 176.117 0.170 0.000 1.026 181 I CA -0.963 60.490 61.300 0.256 0.000 1.078 181 I CB 1.670 39.859 38.000 0.316 0.000 1.249 181 I HN 0.569 nan 8.210 nan 0.000 0.429 182 I N 2.337 122.907 120.570 -0.001 0.000 2.846 182 I HA 1.077 5.247 4.170 -0.001 0.000 0.307 182 I C -0.047 175.847 176.117 -0.372 0.000 1.053 182 I CA -0.414 60.807 61.300 -0.131 0.000 1.050 182 I CB 2.301 40.156 38.000 -0.243 0.000 1.239 182 I HN 0.626 nan 8.210 nan 0.000 0.439 183 G N 2.189 110.534 108.800 -0.758 0.000 2.430 183 G HA2 0.546 4.505 3.960 -0.001 0.000 0.300 183 G HA3 0.546 4.505 3.960 -0.001 0.000 0.300 183 G C -2.158 172.156 174.900 -0.975 0.000 1.330 183 G CA -0.534 44.025 45.100 -0.901 0.000 0.813 183 G HN 1.041 nan 8.290 nan 0.000 0.487 184 Y N -1.604 118.458 120.300 -0.396 0.000 2.562 184 Y HA 0.866 5.416 4.550 -0.001 0.000 0.345 184 Y C -0.451 175.480 175.900 0.052 0.000 1.045 184 Y CA -1.387 56.530 58.100 -0.306 0.000 1.028 184 Y CB 1.746 39.902 38.460 -0.507 0.000 1.297 184 Y HN 0.785 nan 8.280 nan 0.000 0.463 185 T N 0.337 115.089 114.554 0.329 0.000 2.876 185 T HA 0.509 4.859 4.350 -0.001 0.000 0.289 185 T C 0.293 175.109 174.700 0.193 0.000 1.014 185 T CA 0.153 62.442 62.100 0.315 0.000 0.986 185 T CB 1.276 70.321 68.868 0.296 0.000 1.021 185 T HN 1.153 nan 8.240 nan 0.000 0.458 186 T N 1.071 115.787 114.554 0.270 0.000 2.958 186 T HA 0.315 4.665 4.350 -0.001 0.000 0.256 186 T C 0.837 175.793 174.700 0.426 0.000 0.983 186 T CA -0.394 61.903 62.100 0.327 0.000 0.924 186 T CB -0.101 68.917 68.868 0.250 0.000 1.136 186 T HN 0.603 nan 8.240 nan 0.000 0.506 187 R N 2.880 123.576 120.500 0.327 0.000 2.485 187 R HA 0.132 4.472 4.340 -0.001 0.000 0.304 187 R C -0.375 176.093 176.300 0.280 0.000 0.934 187 R CA 0.759 57.023 56.100 0.274 0.000 1.102 187 R CB -0.076 30.397 30.300 0.288 0.000 0.906 187 R HN 0.796 nan 8.270 nan 0.000 0.407 188 N N 0.254 119.062 118.700 0.181 0.000 2.902 188 N HA 0.197 4.936 4.740 -0.001 0.000 0.268 188 N C -1.084 174.452 175.510 0.044 0.000 1.450 188 N CA -0.946 52.164 53.050 0.101 0.000 0.819 188 N CB 1.694 40.114 38.487 -0.112 0.000 1.540 188 N HN 0.140 nan 8.380 nan 0.000 0.545 189 S N -1.309 114.393 115.700 0.004 0.000 2.663 189 S HA 0.630 5.099 4.470 -0.001 0.000 0.243 189 S C 0.192 174.755 174.600 -0.063 0.000 1.009 189 S CA 0.025 58.219 58.200 -0.010 0.000 0.988 189 S CB -0.585 62.623 63.200 0.013 0.000 0.896 189 S HN 1.077 nan 8.310 nan 0.000 0.502 190 G N 0.223 108.958 108.800 -0.108 0.000 2.603 190 G HA2 0.360 4.319 3.960 -0.001 0.000 0.686 190 G HA3 0.360 4.319 3.960 -0.001 0.000 0.686 190 G C 0.361 175.132 174.900 -0.215 0.000 1.286 190 G CA -0.430 44.592 45.100 -0.130 0.000 0.871 190 G HN 1.123 nan 8.290 nan 0.000 0.568 191 G N -2.314 106.366 108.800 -0.200 0.000 2.221 191 G HA2 0.258 4.218 3.960 -0.001 0.000 0.265 191 G HA3 0.258 4.218 3.960 -0.001 0.000 0.265 191 G C 0.859 175.533 174.900 -0.376 0.000 1.041 191 G CA 1.444 46.388 45.100 -0.260 0.000 0.807 191 G HN 2.424 nan 8.290 nan 0.000 0.502 192 V N -3.378 116.339 119.914 -0.328 0.000 2.815 192 V HA 0.951 5.070 4.120 -0.001 0.000 0.314 192 V C -1.645 174.384 176.094 -0.109 0.000 1.064 192 V CA -2.664 59.439 62.300 -0.329 0.000 0.952 192 V CB 1.746 33.215 31.823 -0.589 0.000 1.020 192 V HN 0.072 nan 8.190 nan 0.000 0.439 193 P HA 0.310 nan 4.420 nan 0.000 0.273 193 P C 0.594 177.979 177.300 0.142 0.000 1.250 193 P CA -0.311 62.840 63.100 0.086 0.000 0.793 193 P CB 0.551 32.332 31.700 0.134 0.000 1.011 194 E N 1.045 121.312 120.200 0.113 0.000 2.204 194 E HA -0.149 4.201 4.350 -0.001 0.000 0.195 194 E C 1.071 177.746 176.600 0.125 0.000 0.990 194 E CA 1.087 57.550 56.400 0.105 0.000 0.821 194 E CB -0.450 29.294 29.700 0.074 0.000 0.750 194 E HN 0.510 nan 8.360 nan 0.000 0.477 195 N N 0.154 118.950 118.700 0.160 0.000 2.336 195 N HA -0.104 4.636 4.740 -0.001 0.000 0.189 195 N C 0.328 175.896 175.510 0.096 0.000 1.113 195 N CA -0.332 52.790 53.050 0.120 0.000 0.858 195 N CB -0.793 37.774 38.487 0.135 0.000 0.970 195 N HN -0.034 nan 8.380 nan 0.000 0.471 196 F N 2.437 122.419 119.950 0.053 0.000 2.604 196 F HA 0.086 4.613 4.527 -0.001 0.000 0.393 196 F C 0.047 175.736 175.800 -0.185 0.000 1.043 196 F CA 0.401 58.390 58.000 -0.018 0.000 1.227 196 F CB 0.289 39.330 39.000 0.067 0.000 1.016 196 F HN -0.059 nan 8.300 nan 0.000 0.556 197 K N 5.214 124.908 120.400 -1.176 0.000 2.527 197 K HA 0.188 4.508 4.320 -0.001 0.000 0.260 197 K C -1.349 174.506 176.600 -1.241 0.000 0.937 197 K CA -1.042 54.484 56.287 -1.269 0.000 0.826 197 K CB 1.918 33.549 32.500 -1.449 0.000 1.359 197 K HN 0.663 nan 8.250 nan 0.000 0.434 198 N N 2.746 120.897 118.700 -0.914 0.000 2.476 198 N HA 0.228 4.967 4.740 -0.001 0.000 0.257 198 N C -1.385 173.833 175.510 -0.488 0.000 0.970 198 N CA -0.369 52.308 53.050 -0.621 0.000 0.938 198 N CB 0.626 38.920 38.487 -0.323 0.000 1.144 198 N HN 0.404 nan 8.380 nan 0.000 0.500 199 Y N 4.014 124.060 120.300 -0.422 0.000 2.365 199 Y HA 0.286 4.835 4.550 -0.001 0.000 0.340 199 Y C 0.054 175.818 175.900 -0.227 0.000 1.016 199 Y CA -0.659 57.121 58.100 -0.532 0.000 1.196 199 Y CB 0.360 38.290 38.460 -0.883 0.000 1.167 199 Y HN 0.320 nan 8.280 nan 0.000 0.509 200 F N 1.553 121.482 119.950 -0.036 0.000 2.561 200 F HA 0.903 5.430 4.527 -0.001 0.000 0.321 200 F C -1.329 174.557 175.800 0.142 0.000 1.065 200 F CA -1.918 56.055 58.000 -0.045 0.000 0.934 200 F CB 1.186 39.846 39.000 -0.566 0.000 1.215 200 F HN 0.190 nan 8.300 nan 0.000 0.471 201 I N 3.490 124.274 120.570 0.356 0.000 2.533 201 I HA 0.478 4.647 4.170 -0.001 0.000 0.290 201 I C -1.062 175.224 176.117 0.282 0.000 1.056 201 I CA -0.758 60.707 61.300 0.274 0.000 1.057 201 I CB 2.364 40.492 38.000 0.215 0.000 1.240 201 I HN 0.582 nan 8.210 nan 0.000 0.423 202 I N 5.305 126.020 120.570 0.243 0.000 2.439 202 I HA 0.344 4.513 4.170 -0.001 0.000 0.285 202 I C -0.684 175.477 176.117 0.074 0.000 1.021 202 I CA -0.492 60.892 61.300 0.140 0.000 1.091 202 I CB 1.732 39.827 38.000 0.158 0.000 1.242 202 I HN 0.523 nan 8.210 nan 0.000 0.439 203 E N 6.035 126.219 120.200 -0.026 0.000 2.133 203 E HA 0.501 4.851 4.350 -0.001 0.000 0.274 203 E C -1.350 175.211 176.600 -0.065 0.000 0.930 203 E CA -0.583 55.839 56.400 0.037 0.000 0.770 203 E CB 1.881 31.616 29.700 0.059 0.000 1.104 203 E HN 0.287 nan 8.360 nan 0.000 0.403 204 F N 1.780 121.857 119.950 0.211 0.000 2.425 204 F HA 0.132 4.659 4.527 -0.001 0.000 0.331 204 F C 1.215 177.065 175.800 0.084 0.000 1.085 204 F CA -0.878 57.250 58.000 0.213 0.000 1.028 204 F CB 1.026 40.253 39.000 0.378 0.000 1.177 204 F HN 0.435 nan 8.300 nan 0.000 0.487 205 D N 0.776 121.328 120.400 0.252 0.000 2.434 205 D HA 0.049 4.689 4.640 -0.001 0.000 0.232 205 D C -0.139 176.186 176.300 0.042 0.000 1.166 205 D CA 0.124 54.189 54.000 0.108 0.000 0.830 205 D CB 0.041 40.883 40.800 0.069 0.000 0.960 205 D HN 0.155 nan 8.370 nan 0.000 0.497 206 K N 0.877 121.303 120.400 0.044 0.000 2.501 206 K HA 0.385 4.704 4.320 -0.001 0.000 0.252 206 K C -3.085 173.438 176.600 -0.130 0.000 0.934 206 K CA -1.873 54.339 56.287 -0.126 0.000 0.797 206 K CB 2.611 34.876 32.500 -0.391 0.000 1.270 206 K HN -0.128 nan 8.250 nan 0.000 0.431 207 P HA 0.165 nan 4.420 nan 0.000 0.272 207 P C -0.672 176.660 177.300 0.053 0.000 1.223 207 P CA -0.181 62.814 63.100 -0.175 0.000 0.784 207 P CB 0.212 31.856 31.700 -0.093 0.000 0.923 208 F N 0.264 120.265 119.950 0.086 0.000 2.390 208 F HA 0.231 4.757 4.527 -0.001 0.000 0.361 208 F C 1.679 177.519 175.800 0.066 0.000 1.124 208 F CA -0.235 57.816 58.000 0.085 0.000 1.149 208 F CB -0.287 38.720 39.000 0.012 0.000 1.160 208 F HN 0.181 nan 8.300 nan 0.000 0.501 209 T N 1.668 116.389 114.554 0.278 0.000 2.939 209 T HA -0.085 4.264 4.350 -0.001 0.000 0.254 209 T C -0.208 174.596 174.700 0.172 0.000 1.041 209 T CA 1.004 63.207 62.100 0.172 0.000 1.142 209 T CB -0.212 68.739 68.868 0.138 0.000 0.874 209 T HN 0.404 nan 8.240 nan 0.000 0.452 210 Y N 3.292 123.612 120.300 0.034 0.000 2.360 210 Y HA 0.515 5.064 4.550 -0.001 0.000 0.337 210 Y C -0.591 175.298 175.900 -0.018 0.000 1.039 210 Y CA -1.500 56.617 58.100 0.028 0.000 1.109 210 Y CB 0.783 39.292 38.460 0.082 0.000 1.201 210 Y HN -0.008 nan 8.280 nan 0.000 0.458 211 K N 4.643 124.745 120.400 -0.496 0.000 2.513 211 K HA 0.950 5.270 4.320 -0.001 0.000 0.251 211 K C -2.149 174.126 176.600 -0.541 0.000 0.939 211 K CA -1.033 55.019 56.287 -0.393 0.000 0.793 211 K CB 1.997 34.388 32.500 -0.182 0.000 1.241 211 K HN 0.721 nan 8.250 nan 0.000 0.431 212 A N 1.457 124.070 122.820 -0.345 0.000 2.547 212 A HA 0.654 4.974 4.320 -0.001 0.000 0.297 212 A C -0.685 176.797 177.584 -0.169 0.000 1.056 212 A CA -0.724 51.160 52.037 -0.254 0.000 0.688 212 A CB 1.607 20.481 19.000 -0.210 0.000 1.282 212 A HN 0.835 nan 8.150 nan 0.000 0.400 213 T N -1.127 113.326 114.554 -0.169 0.000 2.936 213 T HA 0.756 5.105 4.350 -0.001 0.000 0.282 213 T C -0.325 174.243 174.700 -0.220 0.000 1.003 213 T CA -0.688 61.305 62.100 -0.180 0.000 1.005 213 T CB 1.387 70.153 68.868 -0.170 0.000 1.097 213 T HN 0.984 nan 8.240 nan 0.000 0.532 214 V N 1.522 121.251 119.914 -0.308 0.000 2.588 214 V HA 0.605 4.725 4.120 -0.001 0.000 0.304 214 V C -0.434 175.438 176.094 -0.370 0.000 1.042 214 V CA -0.765 61.271 62.300 -0.440 0.000 0.877 214 V CB 1.577 32.846 31.823 -0.924 0.000 0.996 214 V HN 1.043 nan 8.190 nan 0.000 0.425 215 E N 4.474 124.509 120.200 -0.275 0.000 2.235 215 E HA 0.276 4.625 4.350 -0.001 0.000 0.252 215 E C -0.574 175.934 176.600 -0.154 0.000 0.886 215 E CA -0.695 55.601 56.400 -0.174 0.000 0.767 215 E CB 0.895 30.529 29.700 -0.110 0.000 1.205 215 E HN 0.696 nan 8.360 nan 0.000 0.421 216 N N 3.654 122.272 118.700 -0.137 0.000 2.688 216 N HA -0.242 4.498 4.740 -0.001 0.000 0.258 216 N C 0.807 176.255 175.510 -0.103 0.000 1.016 216 N CA 1.745 54.748 53.050 -0.079 0.000 0.747 216 N CB -1.322 37.160 38.487 -0.008 0.000 0.895 216 N HN 0.960 nan 8.380 nan 0.000 0.543 217 G N -1.447 107.244 108.800 -0.182 0.000 2.304 217 G HA2 -0.385 3.575 3.960 -0.001 0.000 0.252 217 G HA3 -0.385 3.575 3.960 -0.001 0.000 0.252 217 G C 0.141 174.969 174.900 -0.119 0.000 1.014 217 G CA 0.351 45.388 45.100 -0.105 0.000 0.619 217 G HN 0.584 nan 8.290 nan 0.000 0.525 218 N N 0.797 119.416 118.700 -0.136 0.000 2.411 218 N HA 0.538 5.278 4.740 -0.001 0.000 0.259 218 N C -0.141 175.283 175.510 -0.144 0.000 1.103 218 N CA -0.362 52.621 53.050 -0.112 0.000 0.954 218 N CB 1.172 39.608 38.487 -0.085 0.000 1.085 218 N HN 0.261 nan 8.380 nan 0.000 0.485 219 L N 2.563 123.719 121.223 -0.111 0.000 2.367 219 L HA 0.185 4.525 4.340 -0.001 0.000 0.275 219 L C -0.168 176.647 176.870 -0.092 0.000 1.129 219 L CA 0.498 55.275 54.840 -0.105 0.000 0.839 219 L CB 0.353 42.378 42.059 -0.058 0.000 1.133 219 L HN 0.505 nan 8.230 nan 0.000 0.453 220 Q N 4.431 124.165 119.800 -0.110 0.000 2.695 220 Q HA 0.210 4.550 4.340 -0.001 0.000 0.246 220 Q C -0.849 175.072 176.000 -0.131 0.000 0.961 220 Q CA -0.389 55.350 55.803 -0.106 0.000 0.708 220 Q CB 1.583 30.257 28.738 -0.106 0.000 1.282 220 Q HN 0.585 nan 8.270 nan 0.000 0.482 221 E N 2.237 122.355 120.200 -0.137 0.000 2.384 221 E HA -0.033 4.316 4.350 -0.001 0.000 0.266 221 E C 0.038 176.532 176.600 -0.176 0.000 1.012 221 E CA 0.198 56.469 56.400 -0.215 0.000 0.901 221 E CB 0.373 29.944 29.700 -0.216 0.000 0.967 221 E HN 0.426 nan 8.360 nan 0.000 0.435 222 N N 1.289 119.866 118.700 -0.205 0.000 2.732 222 N HA -0.183 4.557 4.740 -0.001 0.000 0.250 222 N C -1.075 174.375 175.510 -0.100 0.000 1.097 222 N CA 0.878 53.845 53.050 -0.139 0.000 0.812 222 N CB -1.304 37.117 38.487 -0.109 0.000 1.148 222 N HN 0.172 nan 8.380 nan 0.000 0.572 223 V N 0.648 120.497 119.914 -0.108 0.000 2.406 223 V HA 0.476 4.595 4.120 -0.001 0.000 0.272 223 V C 1.569 177.607 176.094 -0.095 0.000 1.043 223 V CA 0.332 62.580 62.300 -0.087 0.000 0.915 223 V CB 1.410 33.183 31.823 -0.084 0.000 0.988 223 V HN 0.346 nan 8.190 nan 0.000 0.466 224 A N 4.258 127.033 122.820 -0.075 0.000 2.016 224 A HA 0.133 4.453 4.320 -0.001 0.000 0.217 224 A C 0.872 178.392 177.584 -0.106 0.000 1.162 224 A CA 0.720 52.711 52.037 -0.076 0.000 0.662 224 A CB 0.084 19.057 19.000 -0.046 0.000 0.812 224 A HN 0.763 nan 8.150 nan 0.000 0.450 225 E N -0.297 119.844 120.200 -0.099 0.000 2.317 225 E HA 0.465 4.815 4.350 -0.001 0.000 0.270 225 E C -1.397 175.137 176.600 -0.110 0.000 0.885 225 E CA -0.663 55.662 56.400 -0.125 0.000 0.760 225 E CB 1.386 31.073 29.700 -0.022 0.000 1.227 225 E HN 0.209 nan 8.360 nan 0.000 0.434 226 Q N 1.269 120.972 119.800 -0.160 0.000 2.289 226 Q HA 0.377 4.716 4.340 -0.001 0.000 0.270 226 Q C -1.332 174.671 176.000 0.005 0.000 1.038 226 Q CA -0.522 55.233 55.803 -0.079 0.000 0.812 226 Q CB 2.451 31.121 28.738 -0.112 0.000 1.300 226 Q HN 0.433 nan 8.270 nan 0.000 0.427 227 T N 1.709 116.321 114.554 0.097 0.000 2.864 227 T HA 0.642 4.991 4.350 -0.001 0.000 0.310 227 T C -0.370 174.384 174.700 0.090 0.000 1.040 227 T CA -0.308 61.884 62.100 0.153 0.000 0.977 227 T CB 1.227 70.200 68.868 0.176 0.000 0.976 227 T HN 0.553 nan 8.240 nan 0.000 0.459 228 T N 1.170 115.777 114.554 0.088 0.000 2.718 228 T HA 0.249 4.598 4.350 -0.001 0.000 0.306 228 T C 0.531 175.297 174.700 0.110 0.000 1.485 228 T CA -0.419 61.728 62.100 0.078 0.000 0.997 228 T CB 1.673 70.565 68.868 0.041 0.000 1.504 228 T HN 0.478 nan 8.240 nan 0.000 0.497 229 D N 0.389 120.855 120.400 0.110 0.000 2.106 229 D HA -0.137 4.502 4.640 -0.001 0.000 0.191 229 D C 0.677 177.091 176.300 0.190 0.000 0.997 229 D CA 1.885 55.965 54.000 0.134 0.000 0.834 229 D CB -0.030 40.840 40.800 0.117 0.000 0.956 229 D HN 0.564 nan 8.370 nan 0.000 0.448 230 H N -0.840 118.275 119.070 0.073 0.000 2.854 230 H HA 0.582 5.138 4.556 -0.001 0.000 0.275 230 H C -1.199 174.154 175.328 0.041 0.000 1.198 230 H CA -0.869 55.239 56.048 0.100 0.000 1.489 230 H CB 0.643 30.469 29.762 0.105 0.000 1.519 230 H HN 0.191 nan 8.280 nan 0.000 0.503 231 A N 3.274 126.256 122.820 0.269 0.000 2.322 231 A HA 0.705 5.025 4.320 -0.001 0.000 0.269 231 A C 0.336 177.969 177.584 0.080 0.000 1.094 231 A CA 0.272 52.351 52.037 0.070 0.000 0.807 231 A CB 0.880 19.889 19.000 0.015 0.000 1.047 231 A HN 0.766 nan 8.150 nan 0.000 0.487 232 G N -1.326 107.371 108.800 -0.171 0.000 2.682 232 G HA2 0.794 4.754 3.960 -0.001 0.000 0.290 232 G HA3 0.794 4.754 3.960 -0.001 0.000 0.290 232 G C -1.071 173.751 174.900 -0.130 0.000 1.425 232 G CA 0.077 45.100 45.100 -0.128 0.000 0.807 232 G HN 1.817 nan 8.290 nan 0.000 0.482 233 A N -0.417 122.429 122.820 0.044 0.000 2.549 233 A HA 0.818 5.137 4.320 -0.001 0.000 0.297 233 A C -1.280 176.339 177.584 0.059 0.000 1.061 233 A CA -0.534 51.499 52.037 -0.007 0.000 0.690 233 A CB 1.282 20.274 19.000 -0.012 0.000 1.287 233 A HN 0.794 nan 8.150 nan 0.000 0.402 234 I N 2.629 123.199 120.570 -0.000 0.000 2.478 234 I HA 0.436 4.605 4.170 -0.001 0.000 0.287 234 I C -0.879 175.235 176.117 -0.006 0.000 1.042 234 I CA -0.641 60.674 61.300 0.025 0.000 1.067 234 I CB 1.764 39.792 38.000 0.045 0.000 1.233 234 I HN 0.687 nan 8.210 nan 0.000 0.431 235 I N 2.879 123.353 120.570 -0.160 0.000 2.750 235 I HA 1.049 5.218 4.170 -0.001 0.000 0.308 235 I C 0.125 176.089 176.117 -0.255 0.000 1.016 235 I CA -0.312 60.807 61.300 -0.302 0.000 1.098 235 I CB 1.950 39.352 38.000 -0.996 0.000 1.279 235 I HN 0.541 nan 8.210 nan 0.000 0.454 236 G N 2.715 111.345 108.800 -0.282 0.000 2.692 236 G HA2 0.832 4.791 3.960 -0.001 0.000 0.291 236 G HA3 0.832 4.791 3.960 -0.001 0.000 0.291 236 G C -1.476 173.006 174.900 -0.697 0.000 1.423 236 G CA -0.824 43.807 45.100 -0.781 0.000 0.843 236 G HN 0.869 nan 8.290 nan 0.000 0.486 237 F N -1.949 117.792 119.950 -0.348 0.000 2.877 237 F HA 0.664 5.190 4.527 -0.001 0.000 0.319 237 F C -0.440 175.152 175.800 -0.347 0.000 1.174 237 F CA -1.540 56.307 58.000 -0.255 0.000 0.903 237 F CB 1.280 40.166 39.000 -0.191 0.000 1.357 237 F HN 0.345 nan 8.300 nan 0.000 0.472 238 K N 0.720 121.133 120.400 0.022 0.000 2.144 238 K HA 0.647 4.967 4.320 -0.001 0.000 0.270 238 K C -0.851 175.727 176.600 -0.037 0.000 1.005 238 K CA -0.515 55.725 56.287 -0.079 0.000 0.932 238 K CB 1.715 34.162 32.500 -0.090 0.000 1.021 238 K HN 0.807 nan 8.250 nan 0.000 0.462 239 T N -0.156 114.361 114.554 -0.062 0.000 2.886 239 T HA 0.430 4.780 4.350 -0.001 0.000 0.292 239 T C -0.215 174.488 174.700 0.004 0.000 1.012 239 T CA -1.143 60.937 62.100 -0.034 0.000 0.982 239 T CB 1.494 70.348 68.868 -0.024 0.000 1.018 239 T HN 0.422 nan 8.240 nan 0.000 0.451 240 R N 0.963 121.472 120.500 0.014 0.000 2.637 240 R HA 0.383 4.723 4.340 -0.001 0.000 0.269 240 R C 0.398 176.739 176.300 0.068 0.000 1.089 240 R CA -0.961 55.157 56.100 0.030 0.000 1.177 240 R CB 0.680 30.991 30.300 0.018 0.000 1.091 240 R HN 0.633 nan 8.270 nan 0.000 0.540 241 K N 0.882 121.321 120.400 0.065 0.000 2.436 241 K HA -0.043 4.277 4.320 -0.001 0.000 0.282 241 K C 0.488 177.142 176.600 0.089 0.000 1.044 241 K CA 1.152 57.489 56.287 0.084 0.000 1.028 241 K CB 0.131 32.670 32.500 0.064 0.000 0.919 241 K HN 0.807 nan 8.250 nan 0.000 0.474 242 G N 2.956 111.828 108.800 0.120 0.000 2.159 242 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.256 242 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.256 242 G C -0.031 174.944 174.900 0.125 0.000 0.977 242 G CA 0.453 45.620 45.100 0.113 0.000 0.652 242 G HN 0.754 nan 8.290 nan 0.000 0.531 243 E N 0.841 121.128 120.200 0.146 0.000 2.417 243 E HA 0.291 4.641 4.350 -0.001 0.000 0.261 243 E C 0.535 177.261 176.600 0.210 0.000 1.000 243 E CA 0.111 56.593 56.400 0.137 0.000 0.919 243 E CB 0.182 29.941 29.700 0.098 0.000 0.955 243 E HN 0.544 nan 8.360 nan 0.000 0.455 244 Q N 2.593 122.483 119.800 0.151 0.000 2.257 244 Q HA 0.392 4.731 4.340 -0.001 0.000 0.255 244 Q C -1.070 175.042 176.000 0.186 0.000 0.920 244 Q CA -0.766 55.142 55.803 0.176 0.000 0.927 244 Q CB 2.166 30.966 28.738 0.103 0.000 1.229 244 Q HN 0.310 nan 8.270 nan 0.000 0.433 245 V N 3.337 123.439 119.914 0.312 0.000 2.444 245 V HA 0.297 4.417 4.120 -0.001 0.000 0.294 245 V C -0.418 175.873 176.094 0.329 0.000 1.022 245 V CA -0.944 61.556 62.300 0.333 0.000 0.850 245 V CB 1.644 33.765 31.823 0.497 0.000 0.992 245 V HN 0.740 nan 8.190 nan 0.000 0.426 246 N N 3.190 122.017 118.700 0.211 0.000 2.430 246 N HA 0.713 5.453 4.740 -0.001 0.000 0.292 246 N C -0.415 175.168 175.510 0.121 0.000 1.051 246 N CA -0.218 52.893 53.050 0.102 0.000 0.917 246 N CB 2.414 40.925 38.487 0.040 0.000 1.164 246 N HN 0.801 nan 8.380 nan 0.000 0.484 247 A N 2.737 125.557 122.820 -0.000 0.000 2.332 247 A HA 0.460 4.779 4.320 -0.001 0.000 0.300 247 A C -0.151 177.378 177.584 -0.093 0.000 1.153 247 A CA -0.722 51.220 52.037 -0.159 0.000 0.764 247 A CB 0.773 19.605 19.000 -0.280 0.000 1.174 247 A HN 0.582 nan 8.150 nan 0.000 0.467 248 R N 1.516 121.964 120.500 -0.085 0.000 2.308 248 R HA 0.647 4.987 4.340 -0.001 0.000 0.305 248 R C -0.851 175.456 176.300 0.011 0.000 1.053 248 R CA 0.183 56.267 56.100 -0.026 0.000 0.957 248 R CB 0.919 31.218 30.300 -0.002 0.000 1.022 248 R HN 0.676 nan 8.270 nan 0.000 0.461 249 I N 1.458 122.064 120.570 0.060 0.000 2.619 249 I HA 0.617 4.787 4.170 -0.001 0.000 0.292 249 I C -0.664 175.589 176.117 0.226 0.000 1.100 249 I CA -0.859 60.545 61.300 0.174 0.000 1.043 249 I CB 2.293 40.432 38.000 0.232 0.000 1.239 249 I HN 0.656 nan 8.210 nan 0.000 0.420 250 A N 3.604 126.600 122.820 0.294 0.000 2.572 250 A HA 0.900 5.219 4.320 -0.001 0.000 0.295 250 A C -0.811 176.973 177.584 0.332 0.000 1.072 250 A CA -0.497 51.715 52.037 0.293 0.000 0.691 250 A CB 2.118 21.232 19.000 0.190 0.000 1.291 250 A HN 0.734 nan 8.150 nan 0.000 0.404 251 S N -0.010 115.857 115.700 0.279 0.000 2.632 251 S HA 0.907 5.376 4.470 -0.001 0.000 0.289 251 S C -0.490 174.109 174.600 -0.003 0.000 1.115 251 S CA -0.011 58.295 58.200 0.177 0.000 0.889 251 S CB 1.718 65.060 63.200 0.236 0.000 1.116 251 S HN 2.122 nan 8.310 nan 0.000 0.486 252 S N -0.148 115.471 115.700 -0.135 0.000 2.556 252 S HA 0.646 5.116 4.470 -0.001 0.000 0.271 252 S C -1.049 173.338 174.600 -0.354 0.000 1.135 252 S CA -0.761 57.322 58.200 -0.195 0.000 0.858 252 S CB 0.750 63.906 63.200 -0.074 0.000 1.114 252 S HN 0.635 nan 8.310 nan 0.000 0.468 253 F N 2.414 122.301 119.950 -0.105 0.000 2.732 253 F HA 0.437 4.964 4.527 -0.001 0.000 0.303 253 F C 1.179 176.860 175.800 -0.199 0.000 1.110 253 F CA 0.029 57.892 58.000 -0.229 0.000 1.355 253 F CB 0.047 38.866 39.000 -0.302 0.000 1.081 253 F HN 0.430 nan 8.300 nan 0.000 0.565 254 I N -1.654 118.931 120.570 0.026 0.000 3.132 254 I HA 0.102 4.271 4.170 -0.001 0.000 0.255 254 I C 0.533 176.421 176.117 -0.382 0.000 1.118 254 I CA 0.294 61.566 61.300 -0.047 0.000 1.463 254 I CB 0.305 38.304 38.000 -0.001 0.000 1.356 254 I HN 0.004 nan 8.210 nan 0.000 0.463 255 S N -1.488 113.836 115.700 -0.627 0.000 2.578 255 S HA 0.313 4.782 4.470 -0.001 0.000 0.272 255 S C -0.000 174.176 174.600 -0.706 0.000 1.145 255 S CA -0.701 56.874 58.200 -1.041 0.000 0.835 255 S CB 0.559 63.472 63.200 -0.478 0.000 1.104 255 S HN 0.062 nan 8.310 nan 0.000 0.458 256 F N 1.458 121.086 119.950 -0.537 0.000 2.154 256 F HA -0.040 4.487 4.527 -0.001 0.000 0.301 256 F C 2.556 178.289 175.800 -0.112 0.000 1.087 256 F CA 2.013 59.908 58.000 -0.175 0.000 1.274 256 F CB -0.553 38.397 39.000 -0.084 0.000 1.009 256 F HN 0.740 nan 8.300 nan 0.000 0.485 257 E N -0.589 119.637 120.200 0.044 0.000 2.072 257 E HA -0.270 4.080 4.350 -0.001 0.000 0.191 257 E C 2.093 178.697 176.600 0.006 0.000 0.985 257 E CA 1.248 57.661 56.400 0.023 0.000 0.801 257 E CB -0.293 29.405 29.700 -0.004 0.000 0.750 257 E HN 0.303 nan 8.360 nan 0.000 0.452 258 Q N 0.928 120.704 119.800 -0.040 0.000 2.167 258 Q HA -0.061 4.278 4.340 -0.001 0.000 0.202 258 Q C 1.890 177.895 176.000 0.008 0.000 0.970 258 Q CA 1.529 57.319 55.803 -0.020 0.000 0.855 258 Q CB -0.253 28.459 28.738 -0.044 0.000 0.911 258 Q HN 0.236 nan 8.270 nan 0.000 0.438 259 A N 0.291 123.115 122.820 0.008 0.000 1.902 259 A HA -0.077 4.242 4.320 -0.001 0.000 0.217 259 A C 2.285 179.926 177.584 0.095 0.000 1.181 259 A CA 1.855 53.932 52.037 0.067 0.000 0.623 259 A CB -1.157 17.908 19.000 0.110 0.000 0.818 259 A HN 0.505 nan 8.150 nan 0.000 0.443 260 A N -0.136 122.739 122.820 0.092 0.000 1.902 260 A HA 0.134 4.453 4.320 -0.001 0.000 0.217 260 A C 2.505 180.128 177.584 0.065 0.000 1.181 260 A CA 2.183 54.270 52.037 0.082 0.000 0.623 260 A CB -1.014 18.028 19.000 0.070 0.000 0.818 260 A HN 1.084 nan 8.150 nan 0.000 0.443 261 A N 0.114 122.966 122.820 0.054 0.000 1.930 261 A HA -0.166 4.153 4.320 -0.001 0.000 0.217 261 A C 1.853 179.472 177.584 0.058 0.000 1.175 261 A CA 1.732 53.799 52.037 0.050 0.000 0.627 261 A CB -0.625 18.400 19.000 0.042 0.000 0.815 261 A HN 0.537 nan 8.150 nan 0.000 0.443 262 N N -0.644 118.095 118.700 0.064 0.000 2.149 262 N HA -0.182 4.558 4.740 -0.001 0.000 0.188 262 N C 1.495 177.055 175.510 0.082 0.000 1.019 262 N CA 1.737 54.831 53.050 0.074 0.000 0.857 262 N CB -0.504 38.030 38.487 0.079 0.000 0.997 262 N HN 0.497 nan 8.380 nan 0.000 0.426 263 M N 1.286 120.937 119.600 0.085 0.000 2.195 263 M HA -0.096 4.384 4.480 -0.001 0.000 0.260 263 M C 0.844 177.182 176.300 0.063 0.000 1.066 263 M CA 1.382 56.731 55.300 0.082 0.000 1.089 263 M CB -0.304 32.345 32.600 0.082 0.000 1.377 263 M HN 0.053 nan 8.290 nan 0.000 0.411 264 N N 0.244 118.979 118.700 0.058 0.000 2.520 264 N HA -0.134 4.606 4.740 -0.001 0.000 0.185 264 N C 1.275 176.813 175.510 0.048 0.000 1.068 264 N CA 1.009 54.088 53.050 0.048 0.000 0.911 264 N CB -0.337 38.177 38.487 0.045 0.000 0.961 264 N HN 0.617 nan 8.380 nan 0.000 0.446 265 E N 0.516 120.749 120.200 0.055 0.000 2.209 265 E HA -0.100 4.250 4.350 -0.001 0.000 0.196 265 E C 1.543 178.170 176.600 0.044 0.000 0.993 265 E CA 0.596 57.029 56.400 0.055 0.000 0.819 265 E CB -0.049 29.691 29.700 0.067 0.000 0.745 265 E HN 0.385 nan 8.360 nan 0.000 0.477 266 L N -0.261 120.985 121.223 0.039 0.000 2.395 266 L HA 0.034 4.373 4.340 -0.001 0.000 0.218 266 L C 1.662 178.544 176.870 0.020 0.000 1.130 266 L CA 0.291 55.145 54.840 0.024 0.000 0.826 266 L CB -0.932 41.137 42.059 0.017 0.000 0.941 266 L HN 0.233 nan 8.230 nan 0.000 0.451 267 G N 1.182 109.997 108.800 0.025 0.000 2.634 267 G HA2 -0.369 3.591 3.960 -0.001 0.000 0.309 267 G HA3 -0.369 3.591 3.960 -0.001 0.000 0.309 267 G C 0.624 175.534 174.900 0.017 0.000 1.265 267 G CA 0.512 45.624 45.100 0.021 0.000 0.998 267 G HN 0.342 nan 8.290 nan 0.000 0.551 268 K N 1.353 121.760 120.400 0.012 0.000 2.618 268 K HA 0.217 4.537 4.320 -0.001 0.000 0.207 268 K C -0.483 176.119 176.600 0.004 0.000 1.058 268 K CA -0.324 55.968 56.287 0.009 0.000 1.086 268 K CB 0.653 33.158 32.500 0.008 0.000 0.827 268 K HN 0.421 nan 8.250 nan 0.000 0.481 269 D N 2.711 123.112 120.400 0.002 0.000 2.399 269 D HA -0.007 4.632 4.640 -0.001 0.000 0.241 269 D C 0.432 176.727 176.300 -0.008 0.000 1.133 269 D CA 0.281 54.279 54.000 -0.003 0.000 0.890 269 D CB 0.663 41.463 40.800 -0.001 0.000 1.201 269 D HN 0.232 nan 8.370 nan 0.000 0.432 270 N N 0.791 119.485 118.700 -0.010 0.000 2.448 270 N HA 0.139 4.879 4.740 -0.001 0.000 0.274 270 N C 1.107 176.608 175.510 -0.016 0.000 1.239 270 N CA -0.583 52.458 53.050 -0.014 0.000 0.982 270 N CB 0.670 39.150 38.487 -0.011 0.000 1.199 270 N HN 0.119 nan 8.380 nan 0.000 0.576 271 I N -0.171 120.390 120.570 -0.016 0.000 2.118 271 I HA -0.253 3.917 4.170 -0.001 0.000 0.241 271 I C 1.773 177.891 176.117 0.003 0.000 1.070 271 I CA 1.750 63.051 61.300 0.003 0.000 1.327 271 I CB -1.222 36.795 38.000 0.028 0.000 1.034 271 I HN 0.592 nan 8.210 nan 0.000 0.405 272 E N 0.684 120.869 120.200 -0.025 0.000 2.058 272 E HA -0.238 4.111 4.350 -0.001 0.000 0.194 272 E C 2.245 178.818 176.600 -0.045 0.000 0.997 272 E CA 1.308 57.675 56.400 -0.056 0.000 0.801 272 E CB -0.317 29.348 29.700 -0.057 0.000 0.746 272 E HN 0.536 nan 8.360 nan 0.000 0.450 273 Q N -0.223 119.559 119.800 -0.029 0.000 2.079 273 Q HA -0.077 4.263 4.340 -0.001 0.000 0.200 273 Q C 2.289 178.282 176.000 -0.013 0.000 0.974 273 Q CA 1.029 56.817 55.803 -0.024 0.000 0.840 273 Q CB -0.123 28.605 28.738 -0.017 0.000 0.898 273 Q HN 0.280 nan 8.270 nan 0.000 0.430 274 L N 0.016 121.239 121.223 0.001 0.000 2.093 274 L HA -0.131 4.209 4.340 -0.001 0.000 0.208 274 L C 2.479 179.382 176.870 0.054 0.000 1.085 274 L CA 0.732 55.585 54.840 0.022 0.000 0.755 274 L CB -0.523 41.546 42.059 0.015 0.000 0.904 274 L HN 0.219 nan 8.230 nan 0.000 0.435 275 A N -0.309 122.552 122.820 0.068 0.000 1.883 275 A HA -0.302 4.018 4.320 -0.001 0.000 0.217 275 A C 2.205 179.780 177.584 -0.015 0.000 1.186 275 A CA 1.956 54.081 52.037 0.146 0.000 0.624 275 A CB -0.562 18.485 19.000 0.079 0.000 0.822 275 A HN 0.380 nan 8.150 nan 0.000 0.444 276 Q N 0.078 119.830 119.800 -0.079 0.000 2.096 276 Q HA -0.160 4.180 4.340 -0.001 0.000 0.204 276 Q C 1.953 177.882 176.000 -0.118 0.000 0.982 276 Q CA 2.277 57.996 55.803 -0.140 0.000 0.850 276 Q CB -0.307 28.371 28.738 -0.099 0.000 0.901 276 Q HN 0.684 nan 8.270 nan 0.000 0.422 277 K N -1.261 119.109 120.400 -0.050 0.000 2.057 277 K HA -0.074 4.245 4.320 -0.001 0.000 0.207 277 K C 1.974 178.574 176.600 -0.001 0.000 1.049 277 K CA 1.154 57.429 56.287 -0.020 0.000 0.931 277 K CB -0.457 32.046 32.500 0.006 0.000 0.714 277 K HN 0.404 nan 8.250 nan 0.000 0.440 278 G N 1.427 110.254 108.800 0.046 0.000 2.408 278 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.217 278 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.217 278 G C 1.408 176.392 174.900 0.139 0.000 1.150 278 G CA 0.538 45.739 45.100 0.168 0.000 0.776 278 G HN 0.216 nan 8.290 nan 0.000 0.542 279 K N 0.254 120.494 120.400 -0.268 0.000 2.097 279 K HA -0.104 4.216 4.320 -0.001 0.000 0.205 279 K C 1.889 178.403 176.600 -0.144 0.000 1.050 279 K CA 1.482 57.430 56.287 -0.564 0.000 0.938 279 K CB -0.069 31.797 32.500 -1.057 0.000 0.718 279 K HN 0.094 nan 8.250 nan 0.000 0.442 280 D N 0.469 120.808 120.400 -0.102 0.000 2.097 280 D HA -0.120 4.520 4.640 -0.001 0.000 0.197 280 D C 1.787 178.096 176.300 0.014 0.000 0.984 280 D CA 1.369 55.351 54.000 -0.029 0.000 0.826 280 D CB -0.288 40.492 40.800 -0.035 0.000 0.973 280 D HN 0.330 nan 8.370 nan 0.000 0.460 281 A N 0.076 122.893 122.820 -0.005 0.000 1.908 281 A HA -0.181 4.138 4.320 -0.001 0.000 0.218 281 A C 2.179 179.686 177.584 -0.130 0.000 1.181 281 A CA 1.358 53.350 52.037 -0.076 0.000 0.627 281 A CB -1.230 17.691 19.000 -0.133 0.000 0.818 281 A HN 0.321 nan 8.150 nan 0.000 0.445 282 W N 0.175 121.495 121.300 0.035 0.000 2.381 282 W HA -0.087 4.573 4.660 -0.001 0.000 0.301 282 W C 2.213 178.783 176.519 0.087 0.000 1.205 282 W CA 0.976 58.356 57.345 0.058 0.000 1.285 282 W CB -0.196 29.323 29.460 0.099 0.000 1.133 282 W HN 0.312 nan 8.180 nan 0.000 0.521 283 N N 0.266 119.143 118.700 0.296 0.000 2.244 283 N HA -0.204 4.535 4.740 -0.001 0.000 0.183 283 N C 1.609 177.259 175.510 0.235 0.000 1.016 283 N CA 1.621 54.856 53.050 0.309 0.000 0.866 283 N CB -0.744 37.893 38.487 0.250 0.000 0.980 283 N HN 0.360 nan 8.380 nan 0.000 0.430 284 Q N 1.105 120.990 119.800 0.142 0.000 2.135 284 Q HA -0.116 4.224 4.340 -0.001 0.000 0.204 284 Q C 1.829 177.899 176.000 0.117 0.000 0.981 284 Q CA 1.925 57.789 55.803 0.101 0.000 0.856 284 Q CB 0.116 28.892 28.738 0.062 0.000 0.902 284 Q HN 0.294 nan 8.270 nan 0.000 0.425 285 V N -2.380 117.602 119.914 0.114 0.000 2.575 285 V HA -0.009 4.110 4.120 -0.001 0.000 0.242 285 V C 2.209 178.446 176.094 0.239 0.000 1.045 285 V CA 0.865 63.271 62.300 0.177 0.000 1.065 285 V CB -0.766 31.019 31.823 -0.064 0.000 0.717 285 V HN 0.325 nan 8.190 nan 0.000 0.467 286 L N 1.806 123.168 121.223 0.232 0.000 2.042 286 L HA -0.007 4.333 4.340 -0.001 0.000 0.210 286 L C 2.788 179.581 176.870 -0.129 0.000 1.076 286 L CA 1.844 56.814 54.840 0.217 0.000 0.749 286 L CB -1.280 40.972 42.059 0.322 0.000 0.893 286 L HN 0.511 nan 8.230 nan 0.000 0.432 287 G N -0.339 108.276 108.800 -0.307 0.000 2.535 287 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.218 287 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.218 287 G C 1.562 176.242 174.900 -0.366 0.000 1.122 287 G CA 0.223 44.844 45.100 -0.799 0.000 0.769 287 G HN 0.157 nan 8.290 nan 0.000 0.549 288 K N -0.016 120.324 120.400 -0.100 0.000 2.283 288 K HA 0.091 4.410 4.320 -0.001 0.000 0.202 288 K C 0.694 177.237 176.600 -0.095 0.000 1.048 288 K CA 0.405 56.673 56.287 -0.032 0.000 0.948 288 K CB 0.111 32.595 32.500 -0.027 0.000 0.742 288 K HN 0.379 nan 8.250 nan 0.000 0.458 289 I N 1.890 122.395 120.570 -0.108 0.000 2.448 289 I HA 0.152 4.322 4.170 -0.001 0.000 0.281 289 I C -0.710 175.320 176.117 -0.143 0.000 1.027 289 I CA -0.448 60.790 61.300 -0.103 0.000 1.111 289 I CB 1.665 39.696 38.000 0.051 0.000 1.236 289 I HN -0.139 nan 8.210 nan 0.000 0.452 290 E N 6.341 126.436 120.200 -0.176 0.000 2.109 290 E HA 0.440 4.789 4.350 -0.001 0.000 0.278 290 E C -0.630 175.866 176.600 -0.174 0.000 0.954 290 E CA -0.705 55.636 56.400 -0.098 0.000 0.779 290 E CB 2.468 32.213 29.700 0.074 0.000 1.093 290 E HN 0.447 nan 8.360 nan 0.000 0.401 291 V N 0.613 120.358 119.914 -0.281 0.000 2.630 291 V HA 0.663 4.782 4.120 -0.001 0.000 0.305 291 V C -0.278 175.616 176.094 -0.332 0.000 1.046 291 V CA -0.633 61.298 62.300 -0.615 0.000 0.934 291 V CB 1.496 32.287 31.823 -1.721 0.000 1.003 291 V HN 0.835 nan 8.190 nan 0.000 0.451 292 E N 1.917 122.027 120.200 -0.149 0.000 2.449 292 E HA 0.637 4.986 4.350 -0.001 0.000 0.278 292 E C 0.261 177.013 176.600 0.254 0.000 0.992 292 E CA -0.802 55.670 56.400 0.120 0.000 0.807 292 E CB 1.529 31.267 29.700 0.063 0.000 1.350 292 E HN 2.046 nan 8.360 nan 0.000 0.462 293 G N -0.307 108.664 108.800 0.285 0.000 2.272 293 G HA2 -0.041 3.919 3.960 -0.001 0.000 0.280 293 G HA3 -0.041 3.919 3.960 -0.001 0.000 0.280 293 G C 0.149 175.173 174.900 0.207 0.000 1.067 293 G CA 0.291 45.517 45.100 0.209 0.000 0.902 293 G HN 0.871 nan 8.290 nan 0.000 0.500 294 G N -0.617 108.299 108.800 0.193 0.000 3.105 294 G HA2 0.789 4.748 3.960 -0.001 0.000 0.277 294 G HA3 0.789 4.748 3.960 -0.001 0.000 0.277 294 G C -0.252 174.419 174.900 -0.382 0.000 1.375 294 G CA -0.098 44.945 45.100 -0.096 0.000 0.962 294 G HN 0.995 nan 8.290 nan 0.000 0.541 295 N N -1.491 116.965 118.700 -0.406 0.000 2.502 295 N HA 0.368 5.108 4.740 -0.001 0.000 0.280 295 N C 1.032 176.292 175.510 -0.416 0.000 1.223 295 N CA -0.832 52.032 53.050 -0.311 0.000 0.966 295 N CB 1.400 39.801 38.487 -0.143 0.000 1.203 295 N HN 0.321 nan 8.380 nan 0.000 0.565 296 L N -0.145 121.013 121.223 -0.109 0.000 2.079 296 L HA -0.111 4.229 4.340 -0.001 0.000 0.210 296 L C 1.013 177.932 176.870 0.081 0.000 1.081 296 L CA 1.896 56.786 54.840 0.084 0.000 0.752 296 L CB -0.920 41.242 42.059 0.172 0.000 0.896 296 L HN 0.601 nan 8.230 nan 0.000 0.433 297 D N -0.760 119.654 120.400 0.023 0.000 2.123 297 D HA -0.227 4.413 4.640 -0.001 0.000 0.196 297 D C 2.168 178.502 176.300 0.057 0.000 0.992 297 D CA 1.494 55.516 54.000 0.038 0.000 0.833 297 D CB -0.078 40.725 40.800 0.006 0.000 0.954 297 D HN 0.549 nan 8.370 nan 0.000 0.455 298 Q N -0.732 119.070 119.800 0.003 0.000 2.049 298 Q HA -0.137 4.203 4.340 -0.001 0.000 0.198 298 Q C 2.183 178.381 176.000 0.330 0.000 0.971 298 Q CA 0.808 56.671 55.803 0.100 0.000 0.833 298 Q CB -0.178 28.496 28.738 -0.107 0.000 0.896 298 Q HN 0.355 nan 8.270 nan 0.000 0.434 299 Y N 0.939 121.380 120.300 0.234 0.000 2.114 299 Y HA -0.224 4.326 4.550 -0.001 0.000 0.282 299 Y C 2.287 178.312 175.900 0.209 0.000 1.165 299 Y CA 1.193 59.331 58.100 0.062 0.000 1.148 299 Y CB -0.456 37.700 38.460 -0.506 0.000 0.972 299 Y HN 0.039 nan 8.280 nan 0.000 0.504 300 R N -0.889 119.832 120.500 0.368 0.000 2.092 300 R HA -0.100 4.240 4.340 -0.001 0.000 0.231 300 R C 2.183 178.624 176.300 0.235 0.000 1.119 300 R CA 1.775 58.086 56.100 0.352 0.000 0.970 300 R CB -0.653 29.803 30.300 0.260 0.000 0.864 300 R HN 0.272 nan 8.270 nan 0.000 0.440 301 T N 0.875 115.518 114.554 0.148 0.000 2.746 301 T HA -0.167 4.183 4.350 -0.001 0.000 0.267 301 T C 1.404 176.102 174.700 -0.004 0.000 1.039 301 T CA 1.338 63.411 62.100 -0.046 0.000 1.142 301 T CB -0.319 68.417 68.868 -0.221 0.000 0.866 301 T HN 0.180 nan 8.240 nan 0.000 0.444 302 F N 0.765 120.789 119.950 0.124 0.000 2.084 302 F HA -0.091 4.436 4.527 -0.001 0.000 0.296 302 F C 2.001 177.765 175.800 -0.060 0.000 1.111 302 F CA 1.174 59.255 58.000 0.135 0.000 1.224 302 F CB -0.320 38.756 39.000 0.128 0.000 0.991 302 F HN 0.101 nan 8.300 nan 0.000 0.471 303 Y N -0.004 120.543 120.300 0.411 0.000 2.373 303 Y HA -0.117 4.433 4.550 -0.001 0.000 0.293 303 Y C 2.685 178.697 175.900 0.187 0.000 1.129 303 Y CA 1.240 59.517 58.100 0.296 0.000 1.226 303 Y CB -0.993 37.724 38.460 0.429 0.000 1.000 303 Y HN 0.020 nan 8.280 nan 0.000 0.549 304 S N -1.173 114.686 115.700 0.265 0.000 2.368 304 S HA -0.187 4.283 4.470 -0.001 0.000 0.224 304 S C 2.202 176.942 174.600 0.233 0.000 1.029 304 S CA 1.312 59.646 58.200 0.224 0.000 0.988 304 S CB -0.754 62.531 63.200 0.141 0.000 0.838 304 S HN 0.527 nan 8.310 nan 0.000 0.462 305 C N 1.058 120.421 119.300 0.106 0.000 2.440 305 C HA 0.047 4.507 4.460 -0.001 0.000 0.278 305 C C 2.507 177.523 174.990 0.043 0.000 1.295 305 C CA 0.361 59.444 59.018 0.108 0.000 1.738 305 C CB -1.274 26.500 27.740 0.056 0.000 1.987 305 C HN 0.503 nan 8.230 nan 0.000 0.492 306 L N 0.453 121.636 121.223 -0.067 0.000 2.046 306 L HA -0.131 4.208 4.340 -0.001 0.000 0.208 306 L C 2.342 179.286 176.870 0.123 0.000 1.077 306 L CA 1.983 56.802 54.840 -0.036 0.000 0.747 306 L CB -1.294 40.711 42.059 -0.090 0.000 0.896 306 L HN 0.551 nan 8.230 nan 0.000 0.432 307 Y N 0.230 120.561 120.300 0.052 0.000 2.128 307 Y HA -0.258 4.291 4.550 -0.001 0.000 0.284 307 Y C 2.454 178.349 175.900 -0.008 0.000 1.154 307 Y CA 1.774 59.863 58.100 -0.019 0.000 1.149 307 Y CB -0.357 37.963 38.460 -0.234 0.000 0.976 307 Y HN 0.083 nan 8.280 nan 0.000 0.505 308 R N 0.231 120.566 120.500 -0.274 0.000 2.193 308 R HA -0.065 4.274 4.340 -0.001 0.000 0.229 308 R C 2.051 178.306 176.300 -0.076 0.000 1.110 308 R CA 1.178 57.111 56.100 -0.278 0.000 0.988 308 R CB -0.892 29.402 30.300 -0.011 0.000 0.871 308 R HN 0.356 nan 8.270 nan 0.000 0.458 309 S N 0.538 116.231 115.700 -0.012 0.000 2.603 309 S HA 0.172 4.642 4.470 -0.001 0.000 0.220 309 S C 1.222 175.825 174.600 0.004 0.000 0.967 309 S CA 0.272 58.502 58.200 0.049 0.000 0.920 309 S CB 0.194 63.435 63.200 0.069 0.000 0.773 309 S HN 0.203 nan 8.310 nan 0.000 0.529 310 L N 0.468 121.587 121.223 -0.173 0.000 3.267 310 L HA 0.401 4.740 4.340 -0.001 0.000 0.289 310 L C 0.605 176.897 176.870 -0.965 0.000 1.260 310 L CA 0.173 54.644 54.840 -0.614 0.000 1.034 310 L CB 0.248 41.899 42.059 -0.680 0.000 1.413 310 L HN 0.233 nan 8.230 nan 0.000 0.594 311 L N -1.369 119.606 121.223 -0.414 0.000 2.547 311 L HA 0.321 4.660 4.340 -0.001 0.000 0.218 311 L C -0.092 176.715 176.870 -0.106 0.000 1.048 311 L CA 0.406 55.044 54.840 -0.336 0.000 0.859 311 L CB 0.513 42.273 42.059 -0.498 0.000 1.128 311 L HN 0.020 nan 8.230 nan 0.000 0.483 312 F N 0.757 120.890 119.950 0.305 0.000 2.532 312 F HA 0.460 4.986 4.527 -0.001 0.000 0.321 312 F C -2.163 173.839 175.800 0.336 0.000 1.089 312 F CA -2.550 55.667 58.000 0.361 0.000 0.926 312 F CB 1.150 40.306 39.000 0.260 0.000 1.168 312 F HN -0.268 nan 8.300 nan 0.000 0.459 313 P HA 0.132 nan 4.420 nan 0.000 0.271 313 P C -0.924 176.793 177.300 0.694 0.000 1.216 313 P CA -0.480 62.991 63.100 0.618 0.000 0.776 313 P CB 0.802 32.839 31.700 0.562 0.000 0.881 314 R N 1.876 122.705 120.500 0.549 0.000 2.582 314 R HA 0.293 4.632 4.340 -0.001 0.000 0.271 314 R C -0.149 176.358 176.300 0.345 0.000 1.078 314 R CA -0.657 55.685 56.100 0.404 0.000 1.127 314 R CB 0.409 30.793 30.300 0.139 0.000 1.038 314 R HN 0.290 nan 8.270 nan 0.000 0.500 315 K N 1.622 122.076 120.400 0.091 0.000 2.484 315 K HA -0.062 4.257 4.320 -0.001 0.000 0.280 315 K C -0.498 176.066 176.600 -0.060 0.000 1.013 315 K CA 0.428 56.461 56.287 -0.423 0.000 1.029 315 K CB 0.277 32.477 32.500 -0.499 0.000 0.902 315 K HN 0.524 nan 8.250 nan 0.000 0.481 316 F N 3.853 123.678 119.950 -0.209 0.000 2.764 316 F HA 0.164 4.691 4.527 -0.001 0.000 0.310 316 F C -0.861 175.032 175.800 0.154 0.000 1.124 316 F CA -0.711 57.298 58.000 0.016 0.000 1.252 316 F CB 0.440 39.462 39.000 0.037 0.000 1.010 316 F HN 0.486 nan 8.300 nan 0.000 0.518 317 Y N -1.095 119.229 120.300 0.041 0.000 2.598 317 Y HA 0.837 5.387 4.550 -0.001 0.000 0.340 317 Y C -0.697 175.255 175.900 0.086 0.000 1.038 317 Y CA -1.356 56.809 58.100 0.109 0.000 1.100 317 Y CB 0.913 39.455 38.460 0.137 0.000 1.281 317 Y HN 0.032 nan 8.280 nan 0.000 0.488 318 E N 1.090 121.446 120.200 0.259 0.000 2.423 318 E HA 0.548 4.897 4.350 -0.001 0.000 0.269 318 E C -1.914 174.818 176.600 0.219 0.000 0.948 318 E CA -1.226 55.260 56.400 0.143 0.000 0.802 318 E CB 2.410 32.165 29.700 0.092 0.000 1.339 318 E HN 0.440 nan 8.360 nan 0.000 0.445 319 L N 2.236 123.548 121.223 0.149 0.000 2.307 319 L HA 0.261 4.601 4.340 -0.001 0.000 0.284 319 L C -0.198 176.725 176.870 0.089 0.000 1.023 319 L CA -0.416 54.507 54.840 0.139 0.000 0.810 319 L CB 0.885 43.026 42.059 0.136 0.000 1.231 319 L HN 0.537 nan 8.230 nan 0.000 0.423 320 D N 2.068 122.511 120.400 0.071 0.000 2.447 320 D HA 0.253 4.892 4.640 -0.001 0.000 0.265 320 D C 1.125 177.451 176.300 0.043 0.000 1.250 320 D CA 0.027 54.055 54.000 0.047 0.000 1.046 320 D CB 0.516 41.336 40.800 0.032 0.000 1.095 320 D HN 0.469 nan 8.370 nan 0.000 0.555 321 A N -0.390 122.449 122.820 0.032 0.000 2.019 321 A HA -0.189 4.130 4.320 -0.001 0.000 0.219 321 A C 1.555 179.158 177.584 0.032 0.000 1.164 321 A CA 1.121 53.177 52.037 0.030 0.000 0.644 321 A CB -0.715 18.299 19.000 0.023 0.000 0.805 321 A HN 0.546 nan 8.150 nan 0.000 0.449 322 N N -0.836 117.882 118.700 0.031 0.000 2.336 322 N HA 0.152 4.892 4.740 -0.001 0.000 0.189 322 N C 1.071 176.605 175.510 0.039 0.000 1.113 322 N CA 0.935 54.003 53.050 0.030 0.000 0.858 322 N CB 0.385 38.886 38.487 0.023 0.000 0.970 322 N HN 0.614 nan 8.380 nan 0.000 0.471 323 G N 0.704 109.534 108.800 0.050 0.000 2.143 323 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.248 323 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.248 323 G C -0.149 174.793 174.900 0.070 0.000 0.991 323 G CA -0.068 45.073 45.100 0.068 0.000 0.689 323 G HN 0.202 nan 8.290 nan 0.000 0.522 324 Q N 0.368 120.196 119.800 0.047 0.000 2.235 324 Q HA 0.455 4.795 4.340 -0.001 0.000 0.250 324 Q C -2.284 173.721 176.000 0.009 0.000 0.909 324 Q CA -2.281 53.529 55.803 0.012 0.000 0.910 324 Q CB 1.646 30.379 28.738 -0.007 0.000 1.223 324 Q HN 0.317 nan 8.270 nan 0.000 0.432 325 P HA 0.178 nan 4.420 nan 0.000 0.276 325 P C -0.513 176.768 177.300 -0.031 0.000 1.243 325 P CA 0.068 63.105 63.100 -0.105 0.000 0.768 325 P CB 0.290 31.562 31.700 -0.713 0.000 0.856 326 I N 1.293 121.932 120.570 0.116 0.000 3.002 326 I HA 0.704 4.874 4.170 -0.001 0.000 0.310 326 I C -0.508 175.761 176.117 0.253 0.000 1.087 326 I CA -1.069 60.297 61.300 0.111 0.000 1.017 326 I CB 2.665 40.690 38.000 0.043 0.000 1.226 326 I HN 0.389 nan 8.210 nan 0.000 0.443 327 H N 1.648 120.807 119.070 0.149 0.000 3.046 327 H HA 0.316 4.871 4.556 -0.001 0.000 0.363 327 H C -2.142 173.325 175.328 0.232 0.000 1.203 327 H CA -0.811 55.365 56.048 0.212 0.000 1.169 327 H CB 1.088 31.018 29.762 0.279 0.000 1.851 327 H HN 0.814 nan 8.280 nan 0.000 0.546 328 Y N 2.171 122.598 120.300 0.210 0.000 2.511 328 Y HA 0.195 4.744 4.550 -0.001 0.000 0.332 328 Y C 0.246 176.404 175.900 0.430 0.000 1.177 328 Y CA 0.237 58.474 58.100 0.228 0.000 1.422 328 Y CB 0.937 39.541 38.460 0.240 0.000 1.271 328 Y HN 0.657 nan 8.280 nan 0.000 0.550 329 S N 8.258 123.743 115.700 -0.358 0.000 2.411 329 S HA 0.301 4.770 4.470 -0.001 0.000 0.294 329 S C -1.770 172.490 174.600 -0.566 0.000 1.115 329 S CA -1.634 56.460 58.200 -0.176 0.000 1.071 329 S CB 0.563 63.741 63.200 -0.036 0.000 0.967 329 S HN 0.653 nan 8.310 nan 0.000 0.488 330 P HA 0.037 nan 4.420 nan 0.000 0.242 330 P C -0.011 176.923 177.300 -0.610 0.000 1.197 330 P CA 0.575 63.381 63.100 -0.492 0.000 0.765 330 P CB -0.130 31.114 31.700 -0.760 0.000 0.936 331 Y N 0.961 121.139 120.300 -0.204 0.000 2.522 331 Y HA 0.081 4.631 4.550 -0.001 0.000 0.277 331 Y C 1.855 177.715 175.900 -0.068 0.000 1.104 331 Y CA 0.831 58.853 58.100 -0.130 0.000 1.260 331 Y CB -0.330 38.065 38.460 -0.109 0.000 1.151 331 Y HN 0.099 nan 8.280 nan 0.000 0.539 332 N N -1.788 116.939 118.700 0.045 0.000 2.118 332 N HA 0.216 4.956 4.740 -0.001 0.000 0.226 332 N C 1.177 176.672 175.510 -0.024 0.000 1.305 332 N CA 0.567 53.630 53.050 0.022 0.000 0.890 332 N CB 0.779 39.289 38.487 0.037 0.000 1.118 332 N HN 0.197 nan 8.380 nan 0.000 0.511 333 G N -0.148 108.571 108.800 -0.136 0.000 2.179 333 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.260 333 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.260 333 G C -0.286 174.606 174.900 -0.012 0.000 0.977 333 G CA 0.488 45.538 45.100 -0.084 0.000 0.641 333 G HN 0.520 nan 8.290 nan 0.000 0.533 334 Q N -0.664 119.095 119.800 -0.068 0.000 2.212 334 Q HA 0.626 4.966 4.340 -0.001 0.000 0.238 334 Q C 0.015 176.005 176.000 -0.018 0.000 0.955 334 Q CA -0.685 55.112 55.803 -0.009 0.000 0.906 334 Q CB 2.166 30.892 28.738 -0.020 0.000 1.215 334 Q HN 0.171 nan 8.270 nan 0.000 0.478 335 V N 2.778 122.701 119.914 0.015 0.000 2.370 335 V HA 0.436 4.556 4.120 -0.001 0.000 0.279 335 V C -0.378 175.645 176.094 -0.119 0.000 1.029 335 V CA -0.345 61.946 62.300 -0.015 0.000 0.870 335 V CB 0.524 32.373 31.823 0.044 0.000 0.984 335 V HN 0.520 nan 8.190 nan 0.000 0.451 336 L N 6.783 127.828 121.223 -0.297 0.000 2.424 336 L HA 0.601 4.941 4.340 -0.001 0.000 0.258 336 L C -2.529 174.144 176.870 -0.329 0.000 0.995 336 L CA -1.892 52.765 54.840 -0.305 0.000 0.821 336 L CB 3.411 45.293 42.059 -0.296 0.000 1.383 336 L HN 0.386 nan 8.230 nan 0.000 0.410 337 P HA 0.352 nan 4.420 nan 0.000 0.272 337 P C -0.055 177.292 177.300 0.078 0.000 1.223 337 P CA 0.326 63.404 63.100 -0.036 0.000 0.784 337 P CB 1.132 32.815 31.700 -0.028 0.000 0.923 338 G N 0.314 109.127 108.800 0.023 0.000 2.525 338 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.685 338 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.685 338 G C -1.429 173.410 174.900 -0.102 0.000 1.290 338 G CA -0.942 44.117 45.100 -0.068 0.000 0.915 338 G HN 0.306 nan 8.290 nan 0.000 0.548 339 Y N -0.852 119.420 120.300 -0.048 0.000 2.314 339 Y HA 0.729 5.278 4.550 -0.001 0.000 0.334 339 Y C 0.959 176.804 175.900 -0.092 0.000 1.266 339 Y CA 0.278 58.279 58.100 -0.165 0.000 1.391 339 Y CB 1.525 39.954 38.460 -0.053 0.000 1.306 339 Y HN 0.831 nan 8.280 nan 0.000 0.558 340 M N 2.563 122.322 119.600 0.266 0.000 2.307 340 M HA 0.475 4.954 4.480 -0.001 0.000 0.279 340 M C -2.460 174.068 176.300 0.380 0.000 1.080 340 M CA -0.675 54.761 55.300 0.228 0.000 0.964 340 M CB 0.873 33.399 32.600 -0.124 0.000 1.825 340 M HN 0.369 nan 8.290 nan 0.000 0.489 341 F N 1.113 121.247 119.950 0.307 0.000 2.611 341 F HA 0.950 5.477 4.527 -0.001 0.000 0.324 341 F C 0.408 176.338 175.800 0.218 0.000 1.061 341 F CA -0.472 57.721 58.000 0.323 0.000 0.954 341 F CB 2.463 41.645 39.000 0.303 0.000 1.301 341 F HN 0.634 nan 8.300 nan 0.000 0.482 342 T N -1.135 113.646 114.554 0.380 0.000 2.665 342 T HA 0.361 4.710 4.350 -0.001 0.000 0.303 342 T C -2.091 172.783 174.700 0.290 0.000 1.334 342 T CA -0.531 61.678 62.100 0.181 0.000 1.011 342 T CB 0.896 69.648 68.868 -0.193 0.000 1.573 342 T HN 0.615 nan 8.240 nan 0.000 0.492 343 D N 0.867 121.412 120.400 0.241 0.000 2.778 343 D HA -0.091 4.549 4.640 -0.001 0.000 0.246 343 D C -0.533 175.942 176.300 0.291 0.000 1.107 343 D CA 1.410 55.637 54.000 0.379 0.000 0.732 343 D CB -1.434 39.686 40.800 0.533 0.000 1.055 343 D HN 0.613 nan 8.370 nan 0.000 0.429 344 T N -1.242 113.318 114.554 0.010 0.000 2.923 344 T HA 0.614 4.964 4.350 -0.001 0.000 0.311 344 T C -0.347 173.629 174.700 -1.206 0.000 1.183 344 T CA -0.013 61.881 62.100 -0.344 0.000 1.020 344 T CB 1.759 70.678 68.868 0.085 0.000 1.165 344 T HN 0.185 nan 8.240 nan 0.000 0.482 345 G N 2.878 110.638 108.800 -1.733 0.000 2.468 345 G HA2 0.519 4.478 3.960 -0.001 0.000 0.320 345 G HA3 0.519 4.478 3.960 -0.001 0.000 0.320 345 G C 0.589 175.215 174.900 -0.457 0.000 1.137 345 G CA -0.540 43.382 45.100 -1.962 0.000 0.984 345 G HN 0.620 nan 8.290 nan 0.000 0.462 346 F N 1.148 120.976 119.950 -0.204 0.000 2.202 346 F HA -0.026 4.501 4.527 -0.001 0.000 0.301 346 F C 2.079 178.063 175.800 0.307 0.000 1.082 346 F CA 0.219 58.263 58.000 0.073 0.000 1.313 346 F CB -0.524 38.499 39.000 0.039 0.000 1.024 346 F HN 0.752 nan 8.300 nan 0.000 0.495 347 W N 1.724 123.212 121.300 0.312 0.000 2.325 347 W HA -0.248 4.411 4.660 -0.001 0.000 0.299 347 W C 1.966 178.666 176.519 0.302 0.000 1.215 347 W CA 2.129 59.708 57.345 0.390 0.000 1.244 347 W CB -0.226 29.432 29.460 0.330 0.000 1.140 347 W HN -0.059 nan 8.180 nan 0.000 0.523 348 D N -1.308 119.317 120.400 0.375 0.000 2.110 348 D HA -0.125 4.515 4.640 -0.001 0.000 0.202 348 D C 2.124 178.422 176.300 -0.004 0.000 0.975 348 D CA 2.564 56.645 54.000 0.136 0.000 0.839 348 D CB -0.888 40.054 40.800 0.238 0.000 0.996 348 D HN 0.264 nan 8.370 nan 0.000 0.464 349 T N -0.989 113.674 114.554 0.181 0.000 3.086 349 T HA 0.024 4.373 4.350 -0.001 0.000 0.250 349 T C 1.857 176.751 174.700 0.324 0.000 1.074 349 T CA -0.319 61.944 62.100 0.272 0.000 0.988 349 T CB -0.677 68.463 68.868 0.453 0.000 0.988 349 T HN 0.200 nan 8.240 nan 0.000 0.530 350 F N 2.167 122.198 119.950 0.135 0.000 2.269 350 F HA 0.199 4.725 4.527 -0.001 0.000 0.301 350 F C 2.203 177.978 175.800 -0.042 0.000 1.082 350 F CA 0.129 58.120 58.000 -0.014 0.000 1.360 350 F CB -0.408 38.524 39.000 -0.114 0.000 1.041 350 F HN -0.044 nan 8.300 nan 0.000 0.512 351 R N 0.307 120.290 120.500 -0.861 0.000 2.070 351 R HA -0.112 4.227 4.340 -0.001 0.000 0.233 351 R C 1.978 178.090 176.300 -0.314 0.000 1.137 351 R CA 2.216 57.840 56.100 -0.794 0.000 0.945 351 R CB -0.698 29.183 30.300 -0.699 0.000 0.845 351 R HN 0.680 nan 8.270 nan 0.000 0.430 352 C N -3.350 115.892 119.300 -0.097 0.000 4.491 352 C HA 0.335 4.794 4.460 -0.001 0.000 0.458 352 C C 1.886 177.037 174.990 0.269 0.000 1.644 352 C CA -0.859 58.157 59.018 -0.004 0.000 2.151 352 C CB -0.665 27.009 27.740 -0.110 0.000 3.250 352 C HN 0.326 nan 8.230 nan 0.000 0.648 353 L N 1.271 122.628 121.223 0.223 0.000 1.976 353 L HA 0.086 4.426 4.340 -0.001 0.000 0.209 353 L C 2.267 179.233 176.870 0.160 0.000 1.071 353 L CA 2.352 57.310 54.840 0.198 0.000 0.746 353 L CB -1.215 40.935 42.059 0.152 0.000 0.890 353 L HN 0.360 nan 8.230 nan 0.000 0.432 354 F N 0.625 120.672 119.950 0.162 0.000 2.134 354 F HA -0.100 4.426 4.527 -0.001 0.000 0.299 354 F C -0.230 175.660 175.800 0.150 0.000 1.097 354 F CA 1.671 59.748 58.000 0.128 0.000 1.264 354 F CB -1.858 37.167 39.000 0.043 0.000 1.001 354 F HN 0.210 nan 8.300 nan 0.000 0.479 355 P HA -0.187 nan 4.420 nan 0.000 0.218 355 P C 1.857 179.455 177.300 0.497 0.000 1.148 355 P CA 1.084 64.374 63.100 0.318 0.000 0.822 355 P CB -0.051 31.754 31.700 0.174 0.000 0.784 356 L N -0.888 120.645 121.223 0.516 0.000 2.083 356 L HA -0.136 4.203 4.340 -0.001 0.000 0.209 356 L C 2.044 179.090 176.870 0.293 0.000 1.083 356 L CA 1.787 56.813 54.840 0.311 0.000 0.752 356 L CB -1.269 40.824 42.059 0.057 0.000 0.899 356 L HN -0.117 nan 8.230 nan 0.000 0.433 357 L N -0.484 120.920 121.223 0.301 0.000 2.093 357 L HA -0.168 4.172 4.340 -0.001 0.000 0.208 357 L C 2.201 179.241 176.870 0.284 0.000 1.085 357 L CA 1.007 56.039 54.840 0.321 0.000 0.755 357 L CB -0.929 41.223 42.059 0.155 0.000 0.904 357 L HN 0.349 nan 8.230 nan 0.000 0.435 358 N N 0.202 119.069 118.700 0.277 0.000 2.309 358 N HA -0.145 4.595 4.740 -0.001 0.000 0.182 358 N C 1.757 177.506 175.510 0.398 0.000 1.018 358 N CA 1.048 54.257 53.050 0.264 0.000 0.876 358 N CB -0.058 38.529 38.487 0.167 0.000 0.972 358 N HN 0.219 nan 8.380 nan 0.000 0.434 359 L N -0.161 121.321 121.223 0.433 0.000 2.084 359 L HA 0.150 4.490 4.340 -0.001 0.000 0.202 359 L C 1.732 178.865 176.870 0.438 0.000 1.074 359 L CA 1.323 56.458 54.840 0.492 0.000 0.757 359 L CB -0.107 42.215 42.059 0.439 0.000 0.918 359 L HN -0.042 nan 8.230 nan 0.000 0.444 360 M N -1.893 117.785 119.600 0.130 0.000 2.567 360 M HA 0.174 4.654 4.480 -0.001 0.000 0.261 360 M C -0.004 175.944 176.300 -0.587 0.000 1.180 360 M CA 0.677 55.797 55.300 -0.300 0.000 1.143 360 M CB -0.136 32.036 32.600 -0.714 0.000 1.319 360 M HN 0.157 nan 8.290 nan 0.000 0.490 361 Y N -0.270 120.154 120.300 0.207 0.000 2.577 361 Y HA 0.318 4.868 4.550 -0.001 0.000 0.307 361 Y C -1.657 174.288 175.900 0.076 0.000 0.940 361 Y CA -2.068 56.115 58.100 0.138 0.000 1.132 361 Y CB -0.444 38.114 38.460 0.163 0.000 1.184 361 Y HN 0.076 nan 8.280 nan 0.000 0.611 362 P HA -0.199 nan 4.420 nan 0.000 0.218 362 P C 1.630 178.965 177.300 0.059 0.000 1.148 362 P CA 1.960 65.148 63.100 0.148 0.000 0.822 362 P CB 0.242 32.064 31.700 0.203 0.000 0.784 363 S N -0.916 114.815 115.700 0.052 0.000 2.419 363 S HA -0.081 4.388 4.470 -0.001 0.000 0.233 363 S C 2.017 176.564 174.600 -0.089 0.000 1.016 363 S CA 1.096 59.294 58.200 -0.004 0.000 0.974 363 S CB -1.631 61.584 63.200 0.024 0.000 0.786 363 S HN -0.014 nan 8.310 nan 0.000 0.492 364 V N 2.629 122.463 119.914 -0.133 0.000 2.407 364 V HA -0.070 4.050 4.120 -0.001 0.000 0.245 364 V C 2.736 178.590 176.094 -0.400 0.000 1.041 364 V CA 1.917 64.000 62.300 -0.360 0.000 1.040 364 V CB -1.125 30.277 31.823 -0.702 0.000 0.671 364 V HN 0.528 nan 8.190 nan 0.000 0.455 365 N N 0.602 119.159 118.700 -0.240 0.000 2.309 365 N HA -0.187 4.553 4.740 -0.001 0.000 0.182 365 N C 1.687 177.099 175.510 -0.164 0.000 1.018 365 N CA 1.315 54.262 53.050 -0.172 0.000 0.876 365 N CB -0.205 38.287 38.487 0.008 0.000 0.972 365 N HN 0.420 nan 8.380 nan 0.000 0.434 366 K N 1.279 121.595 120.400 -0.139 0.000 2.032 366 K HA -0.115 4.205 4.320 -0.001 0.000 0.209 366 K C 1.574 178.058 176.600 -0.193 0.000 1.048 366 K CA 1.628 57.844 56.287 -0.119 0.000 0.927 366 K CB -0.291 32.161 32.500 -0.079 0.000 0.712 366 K HN 0.313 nan 8.250 nan 0.000 0.441 367 E N -0.023 119.970 120.200 -0.344 0.000 2.085 367 E HA -0.217 4.133 4.350 -0.001 0.000 0.194 367 E C 2.143 178.554 176.600 -0.314 0.000 0.994 367 E CA 1.805 57.881 56.400 -0.539 0.000 0.801 367 E CB -0.241 29.103 29.700 -0.594 0.000 0.743 367 E HN 0.403 nan 8.360 nan 0.000 0.453 368 M N 0.595 119.839 119.600 -0.592 0.000 2.132 368 M HA -0.178 4.302 4.480 -0.001 0.000 0.263 368 M C 2.323 178.561 176.300 -0.103 0.000 1.065 368 M CA 1.241 56.183 55.300 -0.596 0.000 1.122 368 M CB -0.117 32.130 32.600 -0.589 0.000 1.365 368 M HN -0.014 nan 8.290 nan 0.000 0.411 369 Q N 0.406 120.158 119.800 -0.079 0.000 2.124 369 Q HA -0.138 4.202 4.340 -0.001 0.000 0.202 369 Q C 1.887 177.925 176.000 0.064 0.000 0.977 369 Q CA 1.211 57.003 55.803 -0.017 0.000 0.850 369 Q CB -0.533 28.180 28.738 -0.041 0.000 0.901 369 Q HN 0.535 nan 8.270 nan 0.000 0.429 370 E N 0.115 120.361 120.200 0.076 0.000 2.153 370 E HA -0.116 4.234 4.350 -0.001 0.000 0.194 370 E C 2.031 178.758 176.600 0.212 0.000 0.988 370 E CA 1.147 57.644 56.400 0.163 0.000 0.811 370 E CB -0.329 29.514 29.700 0.239 0.000 0.746 370 E HN 0.490 nan 8.360 nan 0.000 0.466 371 G N 1.313 110.260 108.800 0.244 0.000 2.422 371 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.218 371 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.218 371 G C 1.745 176.781 174.900 0.227 0.000 1.146 371 G CA 0.450 45.723 45.100 0.289 0.000 0.769 371 G HN 0.159 nan 8.290 nan 0.000 0.547 372 L N 0.426 121.789 121.223 0.233 0.000 2.056 372 L HA -0.044 4.295 4.340 -0.001 0.000 0.207 372 L C 2.822 179.927 176.870 0.392 0.000 1.078 372 L CA 0.311 55.337 54.840 0.311 0.000 0.749 372 L CB -0.469 41.737 42.059 0.245 0.000 0.901 372 L HN 0.091 nan 8.230 nan 0.000 0.433 373 I N 0.475 121.242 120.570 0.329 0.000 2.118 373 I HA -0.328 3.841 4.170 -0.001 0.000 0.241 373 I C 2.320 178.528 176.117 0.152 0.000 1.070 373 I CA 1.630 63.092 61.300 0.270 0.000 1.327 373 I CB -1.457 36.661 38.000 0.196 0.000 1.034 373 I HN 0.386 nan 8.210 nan 0.000 0.405 374 N N 0.558 119.334 118.700 0.125 0.000 2.149 374 N HA -0.146 4.594 4.740 -0.001 0.000 0.188 374 N C 1.832 177.325 175.510 -0.030 0.000 1.019 374 N CA 1.819 54.913 53.050 0.072 0.000 0.857 374 N CB -0.560 37.991 38.487 0.106 0.000 0.997 374 N HN 0.385 nan 8.380 nan 0.000 0.426 375 T N 0.496 115.006 114.554 -0.074 0.000 2.665 375 T HA -0.200 4.150 4.350 -0.001 0.000 0.268 375 T C 1.740 176.251 174.700 -0.316 0.000 1.035 375 T CA 1.306 63.180 62.100 -0.376 0.000 1.151 375 T CB -0.515 68.193 68.868 -0.267 0.000 0.862 375 T HN 0.341 nan 8.240 nan 0.000 0.438 376 Y N 1.629 121.729 120.300 -0.334 0.000 2.181 376 Y HA -0.030 4.519 4.550 -0.001 0.000 0.288 376 Y C 2.008 177.696 175.900 -0.354 0.000 1.146 376 Y CA 1.056 58.850 58.100 -0.511 0.000 1.164 376 Y CB -0.558 37.253 38.460 -1.082 0.000 0.982 376 Y HN 0.132 nan 8.280 nan 0.000 0.515 377 L N -0.075 120.940 121.223 -0.348 0.000 2.131 377 L HA -0.189 4.151 4.340 -0.001 0.000 0.210 377 L C 2.117 178.827 176.870 -0.267 0.000 1.092 377 L CA 1.751 56.391 54.840 -0.333 0.000 0.759 377 L CB -0.393 41.596 42.059 -0.118 0.000 0.903 377 L HN 0.290 nan 8.230 nan 0.000 0.435 378 E N -1.052 119.029 120.200 -0.199 0.000 2.276 378 E HA -0.071 4.279 4.350 -0.001 0.000 0.193 378 E C 1.963 178.518 176.600 -0.075 0.000 0.983 378 E CA 1.011 57.351 56.400 -0.101 0.000 0.861 378 E CB 0.330 30.021 29.700 -0.016 0.000 0.817 378 E HN 0.447 nan 8.360 nan 0.000 0.485 379 S N -2.227 113.396 115.700 -0.127 0.000 2.593 379 S HA 0.314 4.784 4.470 -0.001 0.000 0.235 379 S C 1.566 176.202 174.600 0.061 0.000 1.059 379 S CA 0.368 58.613 58.200 0.074 0.000 0.953 379 S CB 1.225 64.568 63.200 0.239 0.000 0.897 379 S HN 0.275 nan 8.310 nan 0.000 0.507 380 G N 0.515 109.163 108.800 -0.254 0.000 2.234 380 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.235 380 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.235 380 G C -0.163 174.389 174.900 -0.581 0.000 0.997 380 G CA 0.079 44.867 45.100 -0.520 0.000 0.623 380 G HN 0.498 nan 8.290 nan 0.000 0.514 381 F N 0.002 119.897 119.950 -0.091 0.000 2.563 381 F HA 0.780 5.307 4.527 -0.001 0.000 0.316 381 F C 0.270 176.145 175.800 0.124 0.000 1.076 381 F CA -1.420 56.634 58.000 0.090 0.000 0.921 381 F CB 1.198 40.225 39.000 0.045 0.000 1.209 381 F HN -0.052 nan 8.300 nan 0.000 0.462 382 F N 3.628 123.825 119.950 0.412 0.000 2.506 382 F HA 0.273 4.799 4.527 -0.001 0.000 0.351 382 F C -1.768 174.270 175.800 0.396 0.000 1.136 382 F CA -1.826 56.357 58.000 0.305 0.000 1.298 382 F CB -0.123 38.972 39.000 0.158 0.000 1.145 382 F HN 0.142 nan 8.300 nan 0.000 0.593 383 P HA 0.199 nan 4.420 nan 0.000 0.278 383 P C -0.478 177.018 177.300 0.326 0.000 1.258 383 P CA -0.218 63.177 63.100 0.492 0.000 0.811 383 P CB 1.830 33.706 31.700 0.293 0.000 1.063 384 E N 0.170 120.493 120.200 0.206 0.000 2.476 384 E HA 0.094 4.444 4.350 -0.001 0.000 0.193 384 E C -0.231 176.293 176.600 -0.127 0.000 0.966 384 E CA 0.775 57.251 56.400 0.127 0.000 1.114 384 E CB -0.157 29.699 29.700 0.261 0.000 1.151 384 E HN 0.489 nan 8.360 nan 0.000 0.487 385 W N 1.058 122.358 121.300 -0.000 0.000 2.361 385 W HA 0.573 5.232 4.660 -0.001 0.000 0.314 385 W C -0.817 175.678 176.519 -0.039 0.000 1.041 385 W CA -0.359 56.966 57.345 -0.034 0.000 1.241 385 W CB 1.425 30.892 29.460 0.012 0.000 1.279 385 W HN 0.012 nan 8.180 nan 0.000 0.436 386 A N 3.312 126.313 122.820 0.301 0.000 2.343 386 A HA 0.705 5.025 4.320 -0.001 0.000 0.308 386 A C -0.729 176.961 177.584 0.176 0.000 1.092 386 A CA -0.527 51.594 52.037 0.139 0.000 0.751 386 A CB 1.773 20.788 19.000 0.025 0.000 1.203 386 A HN 0.311 nan 8.150 nan 0.000 0.452 387 S N 3.940 119.634 115.700 -0.010 0.000 2.441 387 S HA 0.431 4.900 4.470 -0.001 0.000 0.187 387 S C -2.461 171.907 174.600 -0.388 0.000 0.917 387 S CA -0.508 57.656 58.200 -0.059 0.000 1.078 387 S CB 1.062 64.357 63.200 0.157 0.000 1.379 387 S HN 0.480 nan 8.310 nan 0.000 0.399 388 P HA 0.213 nan 4.420 nan 0.000 0.222 388 P C 1.039 177.841 177.300 -0.831 0.000 1.157 388 P CA 0.546 63.106 63.100 -0.900 0.000 0.816 388 P CB -0.003 30.873 31.700 -1.374 0.000 0.813 389 G N -0.392 107.916 108.800 -0.820 0.000 2.531 389 G HA2 0.174 4.134 3.960 -0.001 0.000 0.281 389 G HA3 0.174 4.134 3.960 -0.001 0.000 0.281 389 G C -0.452 174.132 174.900 -0.527 0.000 1.382 389 G CA -0.402 44.089 45.100 -1.015 0.000 1.045 389 G HN 0.106 nan 8.290 nan 0.000 0.533 390 H N 0.727 119.678 119.070 -0.199 0.000 2.964 390 H HA 0.187 4.742 4.556 -0.001 0.000 0.328 390 H C 0.310 175.553 175.328 -0.142 0.000 1.030 390 H CA 0.591 56.589 56.048 -0.084 0.000 1.445 390 H CB 0.480 30.144 29.762 -0.164 0.000 1.449 390 H HN 0.149 nan 8.280 nan 0.000 0.581 391 R N 1.372 121.908 120.500 0.061 0.000 2.686 391 R HA 0.285 4.625 4.340 -0.001 0.000 0.283 391 R C 0.211 176.511 176.300 0.001 0.000 0.978 391 R CA -0.954 55.136 56.100 -0.017 0.000 0.897 391 R CB 2.138 32.402 30.300 -0.060 0.000 1.192 391 R HN 0.777 nan 8.270 nan 0.000 0.457 392 G N 0.826 109.595 108.800 -0.052 0.000 2.519 392 G HA2 0.348 4.307 3.960 -0.001 0.000 0.306 392 G HA3 0.348 4.307 3.960 -0.001 0.000 0.306 392 G C -0.445 174.414 174.900 -0.069 0.000 0.965 392 G CA -0.068 45.008 45.100 -0.040 0.000 1.291 392 G HN 0.486 nan 8.290 nan 0.000 0.450 393 C N 5.449 124.730 119.300 -0.032 0.000 3.046 393 C HA 0.631 5.091 4.460 -0.001 0.000 0.388 393 C C -0.227 174.799 174.990 0.061 0.000 1.041 393 C CA -0.604 58.352 59.018 -0.102 0.000 1.241 393 C CB 0.243 27.721 27.740 -0.436 0.000 1.638 393 C HN 1.004 nan 8.230 nan 0.000 0.539 394 M N 3.188 122.752 119.600 -0.061 0.000 7.319 394 M HA -0.116 4.363 4.480 -0.001 0.000 0.145 394 M C -0.090 176.175 176.300 -0.058 0.000 0.480 394 M CA 1.655 56.839 55.300 -0.193 0.000 1.311 394 M CB -2.118 30.332 32.600 -0.251 0.000 0.421 394 M HN 1.790 nan 8.290 nan 0.000 0.362 395 V N -2.945 116.937 119.914 -0.052 0.000 3.167 395 V HA 1.056 5.176 4.120 -0.001 0.000 0.310 395 V C 0.291 176.607 176.094 0.371 0.000 1.207 395 V CA 0.537 62.923 62.300 0.144 0.000 1.059 395 V CB 1.263 33.136 31.823 0.083 0.000 1.079 395 V HN 2.682 nan 8.190 nan 0.000 0.446 396 G N 0.705 109.672 108.800 0.278 0.000 2.707 396 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.686 396 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.686 396 G C -0.350 174.798 174.900 0.414 0.000 1.315 396 G CA 0.096 45.395 45.100 0.332 0.000 0.832 396 G HN 1.615 nan 8.290 nan 0.000 0.573 397 N N -0.103 118.832 118.700 0.391 0.000 2.538 397 N HA 0.112 4.851 4.740 -0.001 0.000 0.291 397 N C 1.144 176.686 175.510 0.054 0.000 1.323 397 N CA 0.101 53.281 53.050 0.215 0.000 0.934 397 N CB -0.174 38.371 38.487 0.097 0.000 1.255 397 N HN 0.516 nan 8.380 nan 0.000 0.509 398 N N -0.518 118.211 118.700 0.049 0.000 2.550 398 N HA -0.119 4.621 4.740 -0.001 0.000 0.186 398 N C 1.827 177.186 175.510 -0.251 0.000 1.110 398 N CA 0.570 53.501 53.050 -0.197 0.000 0.912 398 N CB 0.257 38.579 38.487 -0.275 0.000 0.968 398 N HN 0.310 nan 8.380 nan 0.000 0.448 399 S N 0.604 116.240 115.700 -0.107 0.000 2.402 399 S HA -0.204 4.266 4.470 -0.001 0.000 0.233 399 S C 2.168 176.472 174.600 -0.493 0.000 1.030 399 S CA 0.931 58.920 58.200 -0.351 0.000 1.003 399 S CB -0.498 62.690 63.200 -0.020 0.000 0.813 399 S HN 0.374 nan 8.310 nan 0.000 0.477 400 A N 1.745 124.339 122.820 -0.376 0.000 1.908 400 A HA -0.103 4.217 4.320 -0.001 0.000 0.218 400 A C 2.481 179.798 177.584 -0.445 0.000 1.181 400 A CA 2.153 53.941 52.037 -0.416 0.000 0.627 400 A CB -1.463 17.326 19.000 -0.352 0.000 0.818 400 A HN 0.621 nan 8.150 nan 0.000 0.445 401 S N -0.415 115.012 115.700 -0.454 0.000 2.348 401 S HA -0.143 4.326 4.470 -0.001 0.000 0.221 401 S C 1.965 176.370 174.600 -0.325 0.000 1.033 401 S CA 1.457 59.436 58.200 -0.368 0.000 1.010 401 S CB -0.489 62.527 63.200 -0.306 0.000 0.891 401 S HN 0.384 nan 8.310 nan 0.000 0.442 402 I N 1.858 122.142 120.570 -0.477 0.000 2.087 402 I HA -0.212 3.958 4.170 -0.001 0.000 0.240 402 I C 2.442 178.265 176.117 -0.490 0.000 1.054 402 I CA 1.557 62.482 61.300 -0.626 0.000 1.311 402 I CB -1.698 35.564 38.000 -1.230 0.000 1.024 402 I HN 0.366 nan 8.210 nan 0.000 0.402 403 L N -0.181 120.726 121.223 -0.527 0.000 2.056 403 L HA -0.160 4.179 4.340 -0.001 0.000 0.207 403 L C 2.646 179.343 176.870 -0.289 0.000 1.078 403 L CA 0.824 55.401 54.840 -0.437 0.000 0.749 403 L CB -0.670 41.034 42.059 -0.592 0.000 0.901 403 L HN 0.022 nan 8.230 nan 0.000 0.433 404 V N -0.275 119.456 119.914 -0.304 0.000 2.379 404 V HA -0.279 3.840 4.120 -0.001 0.000 0.245 404 V C 2.158 178.161 176.094 -0.152 0.000 1.044 404 V CA 2.008 64.165 62.300 -0.239 0.000 1.036 404 V CB -0.476 31.160 31.823 -0.312 0.000 0.664 404 V HN 0.452 nan 8.190 nan 0.000 0.453 405 D N 0.309 120.618 120.400 -0.153 0.000 2.149 405 D HA -0.162 4.478 4.640 -0.001 0.000 0.198 405 D C 2.091 178.329 176.300 -0.104 0.000 0.990 405 D CA 1.550 55.486 54.000 -0.107 0.000 0.839 405 D CB -0.104 40.656 40.800 -0.067 0.000 0.948 405 D HN 0.376 nan 8.370 nan 0.000 0.460 406 A N -0.576 122.187 122.820 -0.095 0.000 1.845 406 A HA -0.185 4.135 4.320 -0.001 0.000 0.215 406 A C 2.264 179.812 177.584 -0.060 0.000 1.195 406 A CA 1.611 53.608 52.037 -0.066 0.000 0.616 406 A CB -1.476 17.483 19.000 -0.069 0.000 0.832 406 A HN 0.482 nan 8.150 nan 0.000 0.443 407 Y N -0.028 120.179 120.300 -0.155 0.000 2.128 407 Y HA -0.242 4.308 4.550 -0.001 0.000 0.284 407 Y C 2.294 178.105 175.900 -0.149 0.000 1.154 407 Y CA 2.263 60.278 58.100 -0.142 0.000 1.149 407 Y CB -0.154 38.212 38.460 -0.158 0.000 0.976 407 Y HN 0.220 nan 8.280 nan 0.000 0.505 408 M N -0.106 119.503 119.600 0.015 0.000 2.549 408 M HA -0.126 4.353 4.480 -0.001 0.000 0.260 408 M C 1.160 177.339 176.300 -0.201 0.000 1.076 408 M CA 1.467 56.718 55.300 -0.081 0.000 1.090 408 M CB -0.717 31.820 32.600 -0.105 0.000 1.418 408 M HN 0.189 nan 8.290 nan 0.000 0.486 409 K N -0.541 119.712 120.400 -0.245 0.000 2.440 409 K HA 0.323 4.643 4.320 -0.001 0.000 0.206 409 K C 0.856 177.336 176.600 -0.199 0.000 1.025 409 K CA 0.276 56.343 56.287 -0.367 0.000 1.135 409 K CB 0.271 32.454 32.500 -0.528 0.000 0.856 409 K HN 0.419 nan 8.250 nan 0.000 0.502 410 G N 0.548 109.228 108.800 -0.199 0.000 2.159 410 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.256 410 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.256 410 G C 0.020 174.844 174.900 -0.127 0.000 0.977 410 G CA -0.016 44.988 45.100 -0.159 0.000 0.652 410 G HN 0.143 nan 8.290 nan 0.000 0.531 411 V N 1.714 121.552 119.914 -0.126 0.000 2.258 411 V HA 0.354 4.474 4.120 -0.001 0.000 0.258 411 V C 0.496 176.522 176.094 -0.113 0.000 1.121 411 V CA -0.111 62.143 62.300 -0.077 0.000 0.942 411 V CB 0.678 32.485 31.823 -0.026 0.000 1.170 411 V HN 0.312 nan 8.190 nan 0.000 0.487 412 K N 3.393 123.710 120.400 -0.139 0.000 2.265 412 K HA 0.566 4.885 4.320 -0.001 0.000 0.267 412 K C -0.034 176.565 176.600 -0.001 0.000 0.994 412 K CA -0.631 55.581 56.287 -0.125 0.000 0.860 412 K CB 2.359 34.690 32.500 -0.283 0.000 1.099 412 K HN 0.513 nan 8.250 nan 0.000 0.448 413 V N -0.394 119.562 119.914 0.071 0.000 3.376 413 V HA 0.012 4.131 4.120 -0.001 0.000 0.303 413 V C 0.693 176.834 176.094 0.080 0.000 1.100 413 V CA 0.003 62.348 62.300 0.075 0.000 1.126 413 V CB 0.682 32.558 31.823 0.089 0.000 1.085 413 V HN 0.667 nan 8.190 nan 0.000 0.480 414 D N 0.163 120.607 120.400 0.074 0.000 2.123 414 D HA -0.035 4.604 4.640 -0.001 0.000 0.200 414 D C 0.738 177.077 176.300 0.065 0.000 0.976 414 D CA 1.722 55.761 54.000 0.064 0.000 0.831 414 D CB -0.094 40.743 40.800 0.061 0.000 0.974 414 D HN 0.841 nan 8.370 nan 0.000 0.469 415 D N 0.861 121.304 120.400 0.071 0.000 2.518 415 D HA 0.057 4.696 4.640 -0.001 0.000 0.230 415 D C 1.463 177.798 176.300 0.058 0.000 1.138 415 D CA -0.264 53.773 54.000 0.061 0.000 0.964 415 D CB 0.132 40.971 40.800 0.064 0.000 1.011 415 D HN -0.090 nan 8.370 nan 0.000 0.517 416 I N 1.866 122.465 120.570 0.048 0.000 2.286 416 I HA -0.211 3.958 4.170 -0.001 0.000 0.248 416 I C 2.216 178.330 176.117 -0.005 0.000 1.115 416 I CA 0.733 62.040 61.300 0.012 0.000 1.392 416 I CB -0.757 37.237 38.000 -0.010 0.000 1.065 416 I HN 0.346 nan 8.210 nan 0.000 0.418 417 K N 1.490 121.893 120.400 0.005 0.000 2.020 417 K HA -0.202 4.117 4.320 -0.001 0.000 0.212 417 K C 2.086 178.708 176.600 0.037 0.000 1.050 417 K CA 2.583 58.880 56.287 0.016 0.000 0.929 417 K CB -0.141 32.365 32.500 0.011 0.000 0.714 417 K HN 0.258 nan 8.250 nan 0.000 0.443 418 T N 1.881 116.458 114.554 0.038 0.000 2.777 418 T HA -0.143 4.206 4.350 -0.001 0.000 0.266 418 T C 1.711 176.393 174.700 -0.031 0.000 1.040 418 T CA 1.228 63.352 62.100 0.040 0.000 1.141 418 T CB -0.292 68.631 68.868 0.091 0.000 0.868 418 T HN 0.247 nan 8.240 nan 0.000 0.444 419 L N 0.379 121.621 121.223 0.032 0.000 1.990 419 L HA -0.132 4.207 4.340 -0.001 0.000 0.213 419 L C 2.174 179.030 176.870 -0.022 0.000 1.072 419 L CA 1.845 56.720 54.840 0.058 0.000 0.755 419 L CB -0.904 41.160 42.059 0.009 0.000 0.889 419 L HN 0.264 nan 8.230 nan 0.000 0.432 420 Y N 0.426 120.628 120.300 -0.163 0.000 2.200 420 Y HA -0.185 4.365 4.550 -0.001 0.000 0.290 420 Y C 2.493 178.287 175.900 -0.175 0.000 1.137 420 Y CA 2.048 60.027 58.100 -0.201 0.000 1.163 420 Y CB -0.159 38.176 38.460 -0.208 0.000 0.988 420 Y HN 0.383 nan 8.280 nan 0.000 0.518 421 E N -0.711 119.429 120.200 -0.100 0.000 2.085 421 E HA -0.212 4.138 4.350 -0.001 0.000 0.194 421 E C 2.373 178.776 176.600 -0.329 0.000 0.994 421 E CA 1.050 57.357 56.400 -0.155 0.000 0.801 421 E CB -0.548 29.127 29.700 -0.042 0.000 0.743 421 E HN 0.637 nan 8.360 nan 0.000 0.453 422 G N 0.996 109.410 108.800 -0.643 0.000 2.422 422 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.218 422 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.218 422 G C 1.564 176.275 174.900 -0.315 0.000 1.146 422 G CA 0.394 44.772 45.100 -1.203 0.000 0.769 422 G HN 0.089 nan 8.290 nan 0.000 0.547 423 L N 0.279 121.403 121.223 -0.167 0.000 2.027 423 L HA -0.047 4.292 4.340 -0.001 0.000 0.206 423 L C 2.796 179.497 176.870 -0.282 0.000 1.074 423 L CA 0.426 55.131 54.840 -0.226 0.000 0.745 423 L CB -0.268 41.531 42.059 -0.433 0.000 0.898 423 L HN 0.107 nan 8.230 nan 0.000 0.433 424 I N -0.720 119.620 120.570 -0.383 0.000 2.142 424 I HA -0.347 3.822 4.170 -0.001 0.000 0.240 424 I C 2.552 178.583 176.117 -0.143 0.000 1.078 424 I CA 1.599 62.746 61.300 -0.254 0.000 1.343 424 I CB -1.694 36.146 38.000 -0.266 0.000 1.046 424 I HN 0.417 nan 8.210 nan 0.000 0.405 425 H N 1.350 120.282 119.070 -0.230 0.000 2.357 425 H HA -0.199 4.357 4.556 -0.001 0.000 0.296 425 H C 2.154 177.343 175.328 -0.231 0.000 1.108 425 H CA 2.110 58.019 56.048 -0.232 0.000 1.273 425 H CB -0.181 29.445 29.762 -0.227 0.000 1.367 425 H HN 0.352 nan 8.280 nan 0.000 0.498 426 G N -0.564 108.205 108.800 -0.052 0.000 2.432 426 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.219 426 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.219 426 G C 1.859 176.683 174.900 -0.126 0.000 1.135 426 G CA 1.475 46.575 45.100 0.001 0.000 0.767 426 G HN 0.617 nan 8.290 nan 0.000 0.550 427 T N -0.898 113.561 114.554 -0.158 0.000 3.085 427 T HA 0.050 4.400 4.350 -0.001 0.000 0.263 427 T C 1.502 176.036 174.700 -0.276 0.000 1.127 427 T CA 1.445 63.454 62.100 -0.152 0.000 1.103 427 T CB -0.043 68.842 68.868 0.029 0.000 0.921 427 T HN 0.608 nan 8.240 nan 0.000 0.510 428 E N -0.003 119.898 120.200 -0.498 0.000 2.846 428 E HA 0.238 4.588 4.350 -0.001 0.000 0.211 428 E C -0.576 175.193 176.600 -1.385 0.000 0.975 428 E CA -0.725 55.110 56.400 -0.941 0.000 1.211 428 E CB 0.362 29.799 29.700 -0.438 0.000 1.052 428 E HN 0.296 nan 8.360 nan 0.000 0.487 429 N N 0.804 118.941 118.700 -0.938 0.000 2.277 429 N HA 0.321 5.061 4.740 -0.001 0.000 0.286 429 N C -1.833 173.670 175.510 -0.012 0.000 1.140 429 N CA -0.541 52.213 53.050 -0.494 0.000 0.799 429 N CB 3.002 41.197 38.487 -0.487 0.000 1.596 429 N HN -0.014 nan 8.380 nan 0.000 0.473 430 V N 1.494 121.512 119.914 0.174 0.000 2.604 430 V HA 0.229 4.349 4.120 -0.001 0.000 0.305 430 V C -0.131 175.977 176.094 0.023 0.000 1.043 430 V CA -0.573 61.821 62.300 0.156 0.000 0.888 430 V CB 1.420 33.356 31.823 0.188 0.000 0.995 430 V HN 0.708 nan 8.190 nan 0.000 0.429 431 H N 8.538 127.283 119.070 -0.541 0.000 3.094 431 H HA 0.117 4.672 4.556 -0.001 0.000 0.320 431 H C -1.712 173.500 175.328 -0.194 0.000 1.000 431 H CA -0.421 55.243 56.048 -0.640 0.000 1.413 431 H CB 1.851 31.079 29.762 -0.890 0.000 1.405 431 H HN 0.519 nan 8.280 nan 0.000 0.586 432 P HA -0.050 nan 4.420 nan 0.000 0.226 432 P C 0.432 177.780 177.300 0.080 0.000 1.153 432 P CA 1.020 64.102 63.100 -0.030 0.000 0.777 432 P CB 0.568 32.225 31.700 -0.073 0.000 0.794 433 E N -1.381 118.977 120.200 0.263 0.000 2.434 433 E HA 0.104 4.454 4.350 -0.001 0.000 0.207 433 E C -0.025 176.632 176.600 0.095 0.000 0.929 433 E CA 0.224 56.733 56.400 0.183 0.000 1.001 433 E CB 0.602 30.417 29.700 0.192 0.000 1.016 433 E HN -0.066 nan 8.360 nan 0.000 0.502 434 V N 2.365 122.322 119.914 0.071 0.000 2.284 434 V HA 0.098 4.218 4.120 -0.001 0.000 0.274 434 V C 1.036 177.093 176.094 -0.061 0.000 1.023 434 V CA 0.009 62.240 62.300 -0.114 0.000 0.808 434 V CB 1.165 32.762 31.823 -0.376 0.000 1.035 434 V HN 0.243 nan 8.190 nan 0.000 0.445 435 S N 2.651 118.347 115.700 -0.008 0.000 2.469 435 S HA -0.130 4.339 4.470 -0.001 0.000 0.238 435 S C 1.718 176.340 174.600 0.037 0.000 0.998 435 S CA 1.283 59.497 58.200 0.023 0.000 0.957 435 S CB -0.191 63.030 63.200 0.035 0.000 0.764 435 S HN 0.900 nan 8.310 nan 0.000 0.514 436 S N -0.132 115.584 115.700 0.026 0.000 2.593 436 S HA 0.198 4.668 4.470 -0.001 0.000 0.217 436 S C 0.332 174.978 174.600 0.077 0.000 0.966 436 S CA -0.380 57.867 58.200 0.079 0.000 0.914 436 S CB -0.319 62.944 63.200 0.104 0.000 0.776 436 S HN 0.379 nan 8.310 nan 0.000 0.523 437 T N 2.485 117.015 114.554 -0.040 0.000 2.758 437 T HA 0.670 5.020 4.350 -0.001 0.000 0.285 437 T C 0.573 175.180 174.700 -0.155 0.000 0.981 437 T CA 0.255 62.276 62.100 -0.132 0.000 0.965 437 T CB 0.888 69.485 68.868 -0.453 0.000 0.927 437 T HN 0.791 nan 8.240 nan 0.000 0.448 438 G N 3.343 112.207 108.800 0.107 0.000 2.568 438 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.222 438 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.222 438 G C -0.924 174.073 174.900 0.161 0.000 1.321 438 G CA -0.943 44.309 45.100 0.253 0.000 0.893 438 G HN 0.757 nan 8.290 nan 0.000 0.569 439 R N -0.246 120.318 120.500 0.107 0.000 2.310 439 R HA 0.436 4.775 4.340 -0.001 0.000 0.316 439 R C -0.126 176.327 176.300 0.254 0.000 1.004 439 R CA -0.799 55.350 56.100 0.082 0.000 0.900 439 R CB 1.336 31.437 30.300 -0.332 0.000 1.152 439 R HN 0.556 nan 8.270 nan 0.000 0.513 440 L N 2.168 123.568 121.223 0.294 0.000 2.499 440 L HA 0.179 4.518 4.340 -0.001 0.000 0.273 440 L C 1.111 178.157 176.870 0.293 0.000 1.195 440 L CA 1.539 56.533 54.840 0.256 0.000 0.882 440 L CB 0.645 42.811 42.059 0.178 0.000 1.133 440 L HN 0.926 nan 8.230 nan 0.000 0.483 441 G N 3.538 112.475 108.800 0.230 0.000 2.147 441 G HA2 -0.387 3.573 3.960 -0.001 0.000 0.244 441 G HA3 -0.387 3.573 3.960 -0.001 0.000 0.244 441 G C 0.481 175.513 174.900 0.220 0.000 1.005 441 G CA 0.738 45.981 45.100 0.238 0.000 0.713 441 G HN 1.145 nan 8.290 nan 0.000 0.515 442 Y N -0.409 119.969 120.300 0.129 0.000 2.333 442 Y HA 0.146 4.695 4.550 -0.001 0.000 0.290 442 Y C 2.084 178.039 175.900 0.093 0.000 1.144 442 Y CA 1.608 59.751 58.100 0.071 0.000 1.228 442 Y CB -0.410 38.029 38.460 -0.036 0.000 0.985 442 Y HN 0.381 nan 8.280 nan 0.000 0.542 443 E N 0.458 120.249 120.200 -0.681 0.000 2.017 443 E HA -0.184 4.166 4.350 -0.001 0.000 0.193 443 E C 1.818 178.230 176.600 -0.314 0.000 0.997 443 E CA 2.116 58.156 56.400 -0.600 0.000 0.804 443 E CB -0.735 28.504 29.700 -0.769 0.000 0.757 443 E HN 0.632 nan 8.360 nan 0.000 0.448 444 Y N -0.823 119.384 120.300 -0.155 0.000 2.181 444 Y HA -0.231 4.318 4.550 -0.001 0.000 0.288 444 Y C 2.311 178.148 175.900 -0.105 0.000 1.146 444 Y CA 1.528 59.542 58.100 -0.143 0.000 1.164 444 Y CB -0.595 37.782 38.460 -0.139 0.000 0.982 444 Y HN 0.153 nan 8.280 nan 0.000 0.515 445 Y N 1.168 121.508 120.300 0.067 0.000 2.200 445 Y HA -0.225 4.324 4.550 -0.001 0.000 0.290 445 Y C 1.892 177.808 175.900 0.027 0.000 1.137 445 Y CA 1.645 59.791 58.100 0.077 0.000 1.163 445 Y CB -0.397 38.183 38.460 0.201 0.000 0.988 445 Y HN 0.047 nan 8.280 nan 0.000 0.518 446 N N 0.299 119.044 118.700 0.075 0.000 2.331 446 N HA -0.117 4.622 4.740 -0.001 0.000 0.180 446 N C 1.699 177.141 175.510 -0.113 0.000 1.019 446 N CA 1.164 54.192 53.050 -0.037 0.000 0.881 446 N CB -0.266 38.258 38.487 0.063 0.000 0.972 446 N HN 0.427 nan 8.380 nan 0.000 0.435 447 K N 0.066 120.398 120.400 -0.113 0.000 2.044 447 K HA 0.068 4.387 4.320 -0.001 0.000 0.204 447 K C 1.016 177.531 176.600 -0.142 0.000 1.045 447 K CA 0.621 56.832 56.287 -0.127 0.000 0.951 447 K CB 0.218 32.630 32.500 -0.145 0.000 0.738 447 K HN -0.049 nan 8.250 nan 0.000 0.443 448 L N -0.490 120.621 121.223 -0.188 0.000 2.408 448 L HA 0.231 4.571 4.340 -0.001 0.000 0.215 448 L C 1.393 178.156 176.870 -0.178 0.000 1.081 448 L CA 1.536 56.235 54.840 -0.236 0.000 0.840 448 L CB -0.241 41.516 42.059 -0.503 0.000 1.002 448 L HN 0.599 nan 8.230 nan 0.000 0.468 449 G N -0.241 108.415 108.800 -0.239 0.000 2.141 449 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.231 449 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.231 449 G C 0.036 174.931 174.900 -0.008 0.000 0.984 449 G CA 0.396 45.365 45.100 -0.217 0.000 0.660 449 G HN 0.441 nan 8.290 nan 0.000 0.525 450 Y N -3.307 116.970 120.300 -0.039 0.000 2.702 450 Y HA 0.619 5.168 4.550 -0.001 0.000 0.336 450 Y C -0.670 175.365 175.900 0.225 0.000 1.203 450 Y CA -1.638 56.556 58.100 0.158 0.000 1.072 450 Y CB 0.777 39.270 38.460 0.055 0.000 1.327 450 Y HN 0.442 nan 8.280 nan 0.000 0.456 451 V N 3.163 123.286 119.914 0.348 0.000 2.348 451 V HA 0.419 4.539 4.120 -0.001 0.000 0.270 451 V C -2.258 173.907 176.094 0.119 0.000 1.037 451 V CA -1.852 60.538 62.300 0.150 0.000 0.872 451 V CB 0.710 32.617 31.823 0.140 0.000 1.002 451 V HN 0.588 nan 8.190 nan 0.000 0.464 452 P HA 0.026 nan 4.420 nan 0.000 0.270 452 P C 0.172 177.471 177.300 -0.001 0.000 1.223 452 P CA 0.039 63.166 63.100 0.046 0.000 0.785 452 P CB 0.574 32.162 31.700 -0.186 0.000 0.923 453 Y N 1.614 121.870 120.300 -0.073 0.000 2.457 453 Y HA -0.060 4.489 4.550 -0.001 0.000 0.292 453 Y C 0.869 176.703 175.900 -0.109 0.000 1.125 453 Y CA 1.171 59.205 58.100 -0.110 0.000 1.254 453 Y CB 0.164 38.562 38.460 -0.102 0.000 1.012 453 Y HN 0.269 nan 8.280 nan 0.000 0.555 454 D N 0.093 120.473 120.400 -0.034 0.000 2.788 454 D HA 0.071 4.710 4.640 -0.001 0.000 0.289 454 D C -0.061 176.163 176.300 -0.127 0.000 1.340 454 D CA 0.186 54.144 54.000 -0.070 0.000 0.831 454 D CB -0.353 40.479 40.800 0.053 0.000 1.103 454 D HN 0.189 nan 8.370 nan 0.000 0.476 455 V N -2.681 117.106 119.914 -0.212 0.000 2.838 455 V HA 0.368 4.487 4.120 -0.001 0.000 0.363 455 V C 0.463 176.457 176.094 -0.167 0.000 1.324 455 V CA -0.891 61.270 62.300 -0.232 0.000 1.220 455 V CB -0.013 31.485 31.823 -0.541 0.000 1.328 455 V HN 0.030 nan 8.190 nan 0.000 0.595 456 K N 0.310 120.627 120.400 -0.138 0.000 3.193 456 K HA -0.197 4.122 4.320 -0.001 0.000 0.294 456 K C 0.016 176.559 176.600 -0.094 0.000 1.185 456 K CA 1.213 57.441 56.287 -0.098 0.000 0.866 456 K CB -1.949 30.521 32.500 -0.050 0.000 1.227 456 K HN 0.742 nan 8.250 nan 0.000 0.467 457 I N 2.202 122.690 120.570 -0.137 0.000 2.388 457 I HA 0.120 4.290 4.170 -0.001 0.000 0.281 457 I C 0.358 176.393 176.117 -0.137 0.000 1.046 457 I CA -0.768 60.469 61.300 -0.105 0.000 1.187 457 I CB 0.756 38.704 38.000 -0.088 0.000 1.351 457 I HN -0.069 nan 8.210 nan 0.000 0.472 458 N N 5.151 123.789 118.700 -0.105 0.000 2.453 458 N HA 0.031 4.770 4.740 -0.001 0.000 0.253 458 N C 0.362 175.792 175.510 -0.133 0.000 1.252 458 N CA 0.303 53.280 53.050 -0.122 0.000 0.917 458 N CB 0.363 38.844 38.487 -0.009 0.000 1.117 458 N HN 0.487 nan 8.380 nan 0.000 0.442 459 E N -1.088 118.988 120.200 -0.208 0.000 2.416 459 E HA -0.277 4.073 4.350 -0.001 0.000 0.249 459 E C 0.125 176.601 176.600 -0.206 0.000 1.124 459 E CA 0.627 56.904 56.400 -0.205 0.000 0.732 459 E CB -1.743 27.895 29.700 -0.104 0.000 1.286 459 E HN 0.719 nan 8.360 nan 0.000 0.394 460 N N 0.045 118.612 118.700 -0.222 0.000 2.216 460 N HA -0.070 4.670 4.740 -0.001 0.000 0.183 460 N C 1.846 177.264 175.510 -0.153 0.000 1.017 460 N CA 1.089 54.044 53.050 -0.158 0.000 0.861 460 N CB -0.160 38.252 38.487 -0.126 0.000 0.986 460 N HN 0.255 nan 8.380 nan 0.000 0.428 461 A N 0.772 123.432 122.820 -0.267 0.000 1.898 461 A HA 0.168 4.487 4.320 -0.001 0.000 0.216 461 A C 2.432 179.917 177.584 -0.165 0.000 1.181 461 A CA 1.632 53.522 52.037 -0.245 0.000 0.620 461 A CB -1.198 17.456 19.000 -0.577 0.000 0.819 461 A HN 0.445 nan 8.150 nan 0.000 0.442 462 A N 0.129 122.768 122.820 -0.302 0.000 1.877 462 A HA -0.193 4.127 4.320 -0.001 0.000 0.216 462 A C 2.241 179.746 177.584 -0.133 0.000 1.186 462 A CA 1.640 53.451 52.037 -0.377 0.000 0.620 462 A CB -0.495 18.181 19.000 -0.540 0.000 0.822 462 A HN 0.575 nan 8.150 nan 0.000 0.443 463 R N -0.895 119.472 120.500 -0.223 0.000 2.083 463 R HA -0.094 4.245 4.340 -0.001 0.000 0.237 463 R C 2.314 178.248 176.300 -0.611 0.000 1.137 463 R CA 1.865 57.649 56.100 -0.528 0.000 0.951 463 R CB -1.046 28.897 30.300 -0.595 0.000 0.851 463 R HN 0.520 nan 8.270 nan 0.000 0.434 464 T N 1.882 116.323 114.554 -0.188 0.000 2.665 464 T HA -0.151 4.199 4.350 -0.001 0.000 0.268 464 T C 1.926 176.791 174.700 0.275 0.000 1.035 464 T CA 1.351 63.550 62.100 0.164 0.000 1.151 464 T CB -0.248 68.801 68.868 0.302 0.000 0.862 464 T HN 0.126 nan 8.240 nan 0.000 0.438 465 L N 0.462 121.829 121.223 0.239 0.000 2.046 465 L HA -0.090 4.249 4.340 -0.001 0.000 0.208 465 L C 2.800 179.910 176.870 0.400 0.000 1.077 465 L CA 1.426 56.478 54.840 0.354 0.000 0.747 465 L CB -0.516 41.759 42.059 0.361 0.000 0.896 465 L HN 0.333 nan 8.230 nan 0.000 0.432 466 E N -0.904 119.490 120.200 0.324 0.000 2.072 466 E HA -0.190 4.159 4.350 -0.001 0.000 0.190 466 E C 2.228 179.029 176.600 0.335 0.000 0.982 466 E CA 0.914 57.530 56.400 0.359 0.000 0.803 466 E CB -0.116 29.774 29.700 0.317 0.000 0.755 466 E HN 0.375 nan 8.360 nan 0.000 0.453 467 Y N 1.026 121.398 120.300 0.119 0.000 2.151 467 Y HA -0.252 4.297 4.550 -0.001 0.000 0.284 467 Y C 2.461 178.447 175.900 0.144 0.000 1.166 467 Y CA 0.812 58.894 58.100 -0.030 0.000 1.163 467 Y CB -1.259 36.914 38.460 -0.478 0.000 0.974 467 Y HN 0.047 nan 8.280 nan 0.000 0.511 468 A N -0.447 122.670 122.820 0.494 0.000 1.865 468 A HA -0.283 4.036 4.320 -0.001 0.000 0.217 468 A C 2.195 179.939 177.584 0.266 0.000 1.191 468 A CA 1.827 54.168 52.037 0.506 0.000 0.623 468 A CB -1.569 17.804 19.000 0.621 0.000 0.826 468 A HN 0.530 nan 8.150 nan 0.000 0.444 469 Y N 1.465 121.828 120.300 0.104 0.000 2.165 469 Y HA -0.229 4.321 4.550 -0.001 0.000 0.286 469 Y C 1.735 177.591 175.900 -0.073 0.000 1.155 469 Y CA 1.989 59.968 58.100 -0.202 0.000 1.164 469 Y CB -0.330 38.212 38.460 0.136 0.000 0.978 469 Y HN 0.375 nan 8.280 nan 0.000 0.513 470 D N 0.125 120.383 120.400 -0.238 0.000 2.178 470 D HA -0.172 4.468 4.640 -0.001 0.000 0.201 470 D C 1.615 177.786 176.300 -0.216 0.000 0.980 470 D CA 1.536 55.333 54.000 -0.338 0.000 0.842 470 D CB -0.290 40.439 40.800 -0.118 0.000 0.948 470 D HN 0.486 nan 8.370 nan 0.000 0.472 471 D N -0.433 119.963 120.400 -0.006 0.000 2.183 471 D HA -0.110 4.529 4.640 -0.001 0.000 0.203 471 D C 1.842 178.182 176.300 0.067 0.000 0.969 471 D CA 0.318 54.409 54.000 0.151 0.000 0.842 471 D CB -0.334 40.684 40.800 0.363 0.000 0.957 471 D HN 0.342 nan 8.370 nan 0.000 0.484 472 W N 1.329 122.476 121.300 -0.255 0.000 2.358 472 W HA -0.255 4.405 4.660 -0.001 0.000 0.303 472 W C 2.249 178.622 176.519 -0.243 0.000 1.208 472 W CA 1.195 58.356 57.345 -0.306 0.000 1.274 472 W CB -0.396 28.747 29.460 -0.527 0.000 1.138 472 W HN -0.052 nan 8.180 nan 0.000 0.515 473 C N 0.475 119.614 119.300 -0.269 0.000 2.413 473 C HA -0.224 4.235 4.460 -0.001 0.000 0.276 473 C C 2.672 177.352 174.990 -0.518 0.000 1.236 473 C CA 1.342 60.078 59.018 -0.469 0.000 1.735 473 C CB -1.539 25.930 27.740 -0.451 0.000 2.031 473 C HN 0.382 nan 8.230 nan 0.000 0.474 474 I N -0.059 120.231 120.570 -0.467 0.000 2.163 474 I HA -0.271 3.898 4.170 -0.001 0.000 0.243 474 I C 2.501 178.309 176.117 -0.514 0.000 1.085 474 I CA 2.082 63.035 61.300 -0.577 0.000 1.347 474 I CB -0.694 36.781 38.000 -0.875 0.000 1.044 474 I HN 0.425 nan 8.210 nan 0.000 0.408 475 Y N 1.959 121.962 120.300 -0.496 0.000 2.165 475 Y HA -0.264 4.285 4.550 -0.001 0.000 0.286 475 Y C 2.704 178.347 175.900 -0.428 0.000 1.155 475 Y CA 1.503 59.395 58.100 -0.347 0.000 1.164 475 Y CB -0.177 38.114 38.460 -0.282 0.000 0.978 475 Y HN -0.041 nan 8.280 nan 0.000 0.513 476 R N 0.061 120.030 120.500 -0.886 0.000 2.081 476 R HA -0.152 4.188 4.340 -0.001 0.000 0.235 476 R C 2.229 178.154 176.300 -0.625 0.000 1.131 476 R CA 1.529 57.082 56.100 -0.913 0.000 0.960 476 R CB -1.018 28.695 30.300 -0.979 0.000 0.856 476 R HN 0.448 nan 8.270 nan 0.000 0.436 477 L N 0.658 121.572 121.223 -0.515 0.000 2.072 477 L HA 0.037 4.377 4.340 -0.001 0.000 0.205 477 L C 2.292 178.927 176.870 -0.391 0.000 1.079 477 L CA 1.750 56.339 54.840 -0.418 0.000 0.752 477 L CB -0.684 41.142 42.059 -0.389 0.000 0.906 477 L HN 0.108 nan 8.230 nan 0.000 0.436 478 A N -0.426 122.199 122.820 -0.326 0.000 1.917 478 A HA -0.312 4.008 4.320 -0.001 0.000 0.219 478 A C 2.465 179.854 177.584 -0.326 0.000 1.182 478 A CA 2.266 54.127 52.037 -0.293 0.000 0.633 478 A CB -0.689 18.242 19.000 -0.114 0.000 0.819 478 A HN 0.488 nan 8.150 nan 0.000 0.448 479 K N -0.689 119.468 120.400 -0.405 0.000 2.002 479 K HA -0.230 4.090 4.320 -0.001 0.000 0.209 479 K C 2.145 178.583 176.600 -0.270 0.000 1.048 479 K CA 1.816 57.888 56.287 -0.357 0.000 0.930 479 K CB -0.152 32.024 32.500 -0.541 0.000 0.714 479 K HN 0.501 nan 8.250 nan 0.000 0.438 480 E N 0.547 120.573 120.200 -0.290 0.000 2.118 480 E HA -0.175 4.174 4.350 -0.001 0.000 0.195 480 E C 1.400 177.886 176.600 -0.189 0.000 0.992 480 E CA 1.133 57.413 56.400 -0.200 0.000 0.804 480 E CB -0.056 29.539 29.700 -0.174 0.000 0.741 480 E HN 0.152 nan 8.360 nan 0.000 0.458 481 L N 0.862 121.918 121.223 -0.279 0.000 2.591 481 L HA 0.217 4.557 4.340 -0.001 0.000 0.228 481 L C 0.181 176.898 176.870 -0.256 0.000 1.133 481 L CA 0.721 55.383 54.840 -0.297 0.000 0.880 481 L CB -0.648 41.129 42.059 -0.471 0.000 1.033 481 L HN 0.126 nan 8.230 nan 0.000 0.450 482 K N -0.068 120.207 120.400 -0.209 0.000 3.096 482 K HA -0.200 4.120 4.320 -0.001 0.000 0.266 482 K C -0.015 176.487 176.600 -0.163 0.000 1.043 482 K CA 0.198 56.393 56.287 -0.154 0.000 0.758 482 K CB -0.815 31.618 32.500 -0.111 0.000 1.260 482 K HN 0.154 nan 8.250 nan 0.000 0.481 483 R N -0.021 120.353 120.500 -0.211 0.000 2.827 483 R HA 0.120 4.460 4.340 -0.001 0.000 0.269 483 R C -2.051 174.203 176.300 -0.077 0.000 1.048 483 R CA -1.778 54.214 56.100 -0.180 0.000 1.173 483 R CB -0.594 29.583 30.300 -0.206 0.000 1.070 483 R HN 0.019 nan 8.270 nan 0.000 0.498 484 P HA 0.020 nan 4.420 nan 0.000 0.267 484 P C 0.416 177.729 177.300 0.021 0.000 1.201 484 P CA 0.084 63.181 63.100 -0.005 0.000 0.775 484 P CB 0.474 32.180 31.700 0.010 0.000 0.854 485 K N 1.488 121.902 120.400 0.023 0.000 2.160 485 K HA -0.229 4.091 4.320 -0.001 0.000 0.206 485 K C 1.778 178.416 176.600 0.063 0.000 1.047 485 K CA 1.662 57.974 56.287 0.042 0.000 0.930 485 K CB -0.069 32.451 32.500 0.033 0.000 0.720 485 K HN 0.328 nan 8.250 nan 0.000 0.450 486 K N 0.757 121.189 120.400 0.053 0.000 2.103 486 K HA -0.109 4.211 4.320 -0.001 0.000 0.204 486 K C 1.656 178.304 176.600 0.079 0.000 1.052 486 K CA 1.169 57.487 56.287 0.052 0.000 0.945 486 K CB 0.223 32.742 32.500 0.031 0.000 0.722 486 K HN 0.139 nan 8.250 nan 0.000 0.443 487 E N 0.475 120.746 120.200 0.117 0.000 2.028 487 E HA -0.179 4.170 4.350 -0.001 0.000 0.191 487 E C 1.967 178.756 176.600 0.316 0.000 0.988 487 E CA 1.417 57.949 56.400 0.219 0.000 0.799 487 E CB -0.094 29.762 29.700 0.261 0.000 0.755 487 E HN 0.264 nan 8.360 nan 0.000 0.447 488 I N 0.942 121.657 120.570 0.241 0.000 2.145 488 I HA -0.337 3.833 4.170 -0.001 0.000 0.244 488 I C 2.497 178.827 176.117 0.354 0.000 1.075 488 I CA 1.001 62.475 61.300 0.290 0.000 1.332 488 I CB -0.329 37.772 38.000 0.169 0.000 1.033 488 I HN 0.025 nan 8.210 nan 0.000 0.410 489 S N 0.551 116.381 115.700 0.218 0.000 2.382 489 S HA -0.151 4.319 4.470 -0.001 0.000 0.228 489 S C 1.889 176.549 174.600 0.100 0.000 1.027 489 S CA 1.155 59.448 58.200 0.155 0.000 0.991 489 S CB -0.330 62.925 63.200 0.092 0.000 0.823 489 S HN 0.307 nan 8.310 nan 0.000 0.469 490 L N 0.549 121.799 121.223 0.045 0.000 2.046 490 L HA 0.007 4.347 4.340 -0.001 0.000 0.208 490 L C 1.671 178.430 176.870 -0.186 0.000 1.077 490 L CA 1.848 56.613 54.840 -0.126 0.000 0.747 490 L CB -0.574 41.323 42.059 -0.269 0.000 0.896 490 L HN 0.236 nan 8.230 nan 0.000 0.432 491 F N -0.630 119.377 119.950 0.095 0.000 2.293 491 F HA 0.080 4.607 4.527 -0.001 0.000 0.297 491 F C 2.476 178.306 175.800 0.050 0.000 1.089 491 F CA 0.856 58.910 58.000 0.090 0.000 1.377 491 F CB -1.069 37.992 39.000 0.102 0.000 1.051 491 F HN 0.132 nan 8.300 nan 0.000 0.511 492 A N -0.009 122.921 122.820 0.184 0.000 1.940 492 A HA -0.250 4.069 4.320 -0.001 0.000 0.219 492 A C 2.299 179.988 177.584 0.176 0.000 1.176 492 A CA 1.920 53.953 52.037 -0.007 0.000 0.631 492 A CB -0.662 18.367 19.000 0.048 0.000 0.814 492 A HN 0.333 nan 8.150 nan 0.000 0.446 493 K N -0.692 119.775 120.400 0.111 0.000 2.007 493 K HA -0.067 4.252 4.320 -0.001 0.000 0.206 493 K C 2.300 178.948 176.600 0.080 0.000 1.047 493 K CA 1.081 57.413 56.287 0.074 0.000 0.937 493 K CB -0.161 32.341 32.500 0.004 0.000 0.718 493 K HN 0.406 nan 8.250 nan 0.000 0.438 494 R N 0.123 120.656 120.500 0.056 0.000 2.120 494 R HA -0.077 4.262 4.340 -0.001 0.000 0.234 494 R C 2.209 178.655 176.300 0.245 0.000 1.123 494 R CA 1.094 57.248 56.100 0.090 0.000 0.975 494 R CB -0.286 30.063 30.300 0.082 0.000 0.866 494 R HN 0.232 nan 8.270 nan 0.000 0.446 495 A N 0.497 123.479 122.820 0.271 0.000 2.076 495 A HA -0.142 4.177 4.320 -0.001 0.000 0.220 495 A C 1.754 179.693 177.584 0.590 0.000 1.160 495 A CA 1.238 53.506 52.037 0.384 0.000 0.653 495 A CB -0.158 18.960 19.000 0.197 0.000 0.801 495 A HN 0.130 nan 8.150 nan 0.000 0.455 496 M N 0.005 119.821 119.600 0.361 0.000 2.495 496 M HA 0.089 4.569 4.480 -0.001 0.000 0.237 496 M C 0.786 177.020 176.300 -0.110 0.000 1.131 496 M CA 0.179 55.548 55.300 0.116 0.000 1.032 496 M CB -1.081 31.542 32.600 0.039 0.000 1.513 496 M HN 0.299 nan 8.290 nan 0.000 0.488 497 N N 0.694 119.466 118.700 0.121 0.000 2.443 497 N HA -0.178 4.562 4.740 -0.001 0.000 0.184 497 N C 1.515 177.119 175.510 0.157 0.000 1.037 497 N CA 0.969 54.083 53.050 0.107 0.000 0.896 497 N CB -0.458 38.117 38.487 0.146 0.000 0.959 497 N HN 0.619 nan 8.380 nan 0.000 0.442 498 Y N 0.618 121.069 120.300 0.252 0.000 2.256 498 Y HA -0.073 4.476 4.550 -0.001 0.000 0.288 498 Y C 1.806 177.802 175.900 0.160 0.000 1.155 498 Y CA 1.087 59.318 58.100 0.218 0.000 1.203 498 Y CB -0.558 38.026 38.460 0.207 0.000 0.980 498 Y HN -0.117 nan 8.280 nan 0.000 0.530 499 K N 0.587 120.716 120.400 -0.453 0.000 2.152 499 K HA -0.152 4.168 4.320 -0.001 0.000 0.206 499 K C 1.498 178.099 176.600 0.002 0.000 1.048 499 K CA 1.322 57.466 56.287 -0.239 0.000 0.933 499 K CB -0.283 31.987 32.500 -0.383 0.000 0.721 499 K HN 0.428 nan 8.250 nan 0.000 0.447 500 N N 0.820 119.518 118.700 -0.004 0.000 2.443 500 N HA -0.107 4.632 4.740 -0.001 0.000 0.184 500 N C 1.250 176.725 175.510 -0.058 0.000 1.037 500 N CA 0.944 53.980 53.050 -0.024 0.000 0.896 500 N CB 0.109 38.609 38.487 0.022 0.000 0.959 500 N HN 0.237 nan 8.380 nan 0.000 0.442 501 L N -0.732 120.553 121.223 0.103 0.000 2.693 501 L HA 0.253 4.593 4.340 -0.001 0.000 0.235 501 L C 0.051 177.091 176.870 0.283 0.000 1.127 501 L CA -0.367 54.582 54.840 0.181 0.000 0.914 501 L CB 0.010 42.149 42.059 0.133 0.000 1.193 501 L HN -0.056 nan 8.230 nan 0.000 0.502 502 F N 1.947 121.960 119.950 0.105 0.000 2.438 502 F HA 0.168 4.695 4.527 -0.001 0.000 0.356 502 F C 0.436 176.070 175.800 -0.276 0.000 1.099 502 F CA -0.748 57.212 58.000 -0.067 0.000 1.185 502 F CB 0.613 39.596 39.000 -0.029 0.000 1.115 502 F HN -0.087 nan 8.300 nan 0.000 0.526 503 D N 6.249 125.928 120.400 -1.203 0.000 2.443 503 D HA 0.155 4.795 4.640 -0.001 0.000 0.221 503 D C 0.898 176.587 176.300 -1.018 0.000 1.097 503 D CA -0.293 52.950 54.000 -1.261 0.000 0.865 503 D CB 0.854 40.799 40.800 -1.424 0.000 1.034 503 D HN 0.426 nan 8.370 nan 0.000 0.511 504 K N 2.530 122.630 120.400 -0.500 0.000 2.077 504 K HA -0.235 4.085 4.320 -0.001 0.000 0.213 504 K C 1.290 177.757 176.600 -0.222 0.000 1.051 504 K CA 1.471 57.657 56.287 -0.168 0.000 0.929 504 K CB 0.138 32.617 32.500 -0.034 0.000 0.715 504 K HN 0.641 nan 8.250 nan 0.000 0.451 505 E N 0.011 120.042 120.200 -0.282 0.000 2.028 505 E HA -0.122 4.228 4.350 -0.001 0.000 0.191 505 E C 1.993 178.475 176.600 -0.197 0.000 0.988 505 E CA 1.665 57.947 56.400 -0.197 0.000 0.799 505 E CB -0.011 29.579 29.700 -0.183 0.000 0.755 505 E HN 0.371 nan 8.360 nan 0.000 0.447 506 S N -0.104 115.418 115.700 -0.295 0.000 2.501 506 S HA 0.028 4.497 4.470 -0.001 0.000 0.220 506 S C 0.674 175.077 174.600 -0.328 0.000 0.997 506 S CA 0.252 58.307 58.200 -0.241 0.000 0.919 506 S CB 0.029 63.132 63.200 -0.163 0.000 0.778 506 S HN 0.176 nan 8.310 nan 0.000 0.523 507 K N 0.115 120.236 120.400 -0.465 0.000 3.230 507 K HA -0.121 4.198 4.320 -0.001 0.000 0.285 507 K C -0.737 175.485 176.600 -0.629 0.000 1.196 507 K CA 0.655 56.678 56.287 -0.439 0.000 0.838 507 K CB -2.176 30.272 32.500 -0.086 0.000 1.262 507 K HN 0.459 nan 8.250 nan 0.000 0.492 508 L N 0.217 120.937 121.223 -0.839 0.000 2.309 508 L HA 0.524 4.864 4.340 -0.001 0.000 0.261 508 L C 0.393 176.860 176.870 -0.671 0.000 1.021 508 L CA -1.416 53.001 54.840 -0.705 0.000 0.823 508 L CB 1.288 42.985 42.059 -0.604 0.000 1.366 508 L HN -0.076 nan 8.230 nan 0.000 0.423 509 M N 1.911 121.294 119.600 -0.362 0.000 2.217 509 M HA 0.338 4.817 4.480 -0.001 0.000 0.354 509 M C -0.364 175.917 176.300 -0.032 0.000 1.225 509 M CA 0.407 55.640 55.300 -0.113 0.000 1.137 509 M CB 0.615 33.285 32.600 0.115 0.000 1.576 509 M HN 0.493 nan 8.290 nan 0.000 0.461 510 R N 0.392 120.822 120.500 -0.117 0.000 2.651 510 R HA 0.561 4.900 4.340 -0.001 0.000 0.278 510 R C -0.297 175.956 176.300 -0.079 0.000 1.010 510 R CA -0.508 55.430 56.100 -0.270 0.000 0.896 510 R CB 1.673 31.407 30.300 -0.943 0.000 1.211 510 R HN 0.902 nan 8.270 nan 0.000 0.456 511 G N 2.728 111.423 108.800 -0.175 0.000 2.380 511 G HA2 0.090 4.050 3.960 -0.001 0.000 0.242 511 G HA3 0.090 4.050 3.960 -0.001 0.000 0.242 511 G C -0.681 174.115 174.900 -0.174 0.000 1.298 511 G CA -0.152 44.855 45.100 -0.156 0.000 0.878 511 G HN 0.519 nan 8.290 nan 0.000 0.542 512 R N 2.384 122.780 120.500 -0.173 0.000 2.476 512 R HA 0.156 4.496 4.340 -0.001 0.000 0.305 512 R C -0.191 176.040 176.300 -0.115 0.000 0.965 512 R CA -0.846 55.009 56.100 -0.409 0.000 0.867 512 R CB 0.723 30.429 30.300 -0.991 0.000 1.176 512 R HN 0.599 nan 8.270 nan 0.000 0.447 513 N N 2.052 120.692 118.700 -0.099 0.000 2.340 513 N HA -0.110 4.630 4.740 -0.001 0.000 0.236 513 N C 0.757 176.336 175.510 0.115 0.000 1.296 513 N CA 0.217 53.289 53.050 0.036 0.000 0.896 513 N CB 0.767 39.252 38.487 -0.003 0.000 1.127 513 N HN 0.713 nan 8.380 nan 0.000 0.442 514 E N 0.410 120.652 120.200 0.070 0.000 2.160 514 E HA -0.229 4.120 4.350 -0.001 0.000 0.195 514 E C 0.335 176.971 176.600 0.061 0.000 0.991 514 E CA 1.304 57.732 56.400 0.046 0.000 0.810 514 E CB 0.073 29.772 29.700 -0.002 0.000 0.742 514 E HN 0.572 nan 8.360 nan 0.000 0.466 515 D N -1.548 118.873 120.400 0.035 0.000 2.363 515 D HA 0.012 4.652 4.640 -0.001 0.000 0.226 515 D C 1.283 177.585 176.300 0.004 0.000 1.020 515 D CA 0.911 54.920 54.000 0.016 0.000 0.892 515 D CB 0.275 41.076 40.800 0.002 0.000 0.900 515 D HN 0.334 nan 8.370 nan 0.000 0.531 516 G N -0.088 108.716 108.800 0.007 0.000 2.234 516 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.235 516 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.235 516 G C 0.511 175.266 174.900 -0.242 0.000 0.997 516 G CA 0.280 45.331 45.100 -0.081 0.000 0.623 516 G HN 0.775 nan 8.290 nan 0.000 0.514 517 T N -0.281 114.171 114.554 -0.169 0.000 2.907 517 T HA 0.598 4.948 4.350 -0.001 0.000 0.298 517 T C 0.258 174.800 174.700 -0.262 0.000 1.017 517 T CA -0.487 61.513 62.100 -0.166 0.000 1.118 517 T CB 1.244 70.070 68.868 -0.069 0.000 0.948 517 T HN 0.272 nan 8.240 nan 0.000 0.531 518 F N 2.534 122.371 119.950 -0.189 0.000 2.495 518 F HA 0.199 4.726 4.527 -0.001 0.000 0.365 518 F C 1.315 176.955 175.800 -0.266 0.000 1.090 518 F CA -0.333 57.504 58.000 -0.271 0.000 1.235 518 F CB 0.717 39.522 39.000 -0.326 0.000 1.119 518 F HN 0.622 nan 8.300 nan 0.000 0.562 519 Q N 3.031 122.731 119.800 -0.167 0.000 2.315 519 Q HA 0.099 4.439 4.340 -0.001 0.000 0.289 519 Q C -1.022 174.871 176.000 -0.177 0.000 1.044 519 Q CA 0.424 56.049 55.803 -0.297 0.000 0.920 519 Q CB 0.834 29.058 28.738 -0.857 0.000 1.214 519 Q HN 0.716 nan 8.270 nan 0.000 0.392 520 S N 4.190 119.829 115.700 -0.103 0.000 2.568 520 S HA 0.644 5.113 4.470 -0.001 0.000 0.293 520 S C -2.388 172.209 174.600 -0.005 0.000 1.089 520 S CA -1.018 57.166 58.200 -0.026 0.000 0.945 520 S CB 1.683 64.879 63.200 -0.007 0.000 1.077 520 S HN 0.681 nan 8.310 nan 0.000 0.485 521 P HA 0.371 nan 4.420 nan 0.000 0.278 521 P C -1.278 176.073 177.300 0.084 0.000 1.238 521 P CA -0.367 62.759 63.100 0.044 0.000 0.794 521 P CB 0.316 32.036 31.700 0.032 0.000 0.955 522 F N 1.747 121.652 119.950 -0.075 0.000 2.410 522 F HA 0.396 4.923 4.527 -0.001 0.000 0.349 522 F C -0.453 175.323 175.800 -0.039 0.000 1.117 522 F CA -0.538 57.411 58.000 -0.086 0.000 1.104 522 F CB 1.123 40.044 39.000 -0.131 0.000 1.122 522 F HN 0.168 nan 8.300 nan 0.000 0.483 523 S N 8.615 123.953 115.700 -0.602 0.000 2.667 523 S HA 0.263 4.733 4.470 -0.001 0.000 0.304 523 S C -1.891 172.278 174.600 -0.719 0.000 1.135 523 S CA -0.948 56.928 58.200 -0.540 0.000 1.125 523 S CB 1.341 64.446 63.200 -0.160 0.000 0.996 523 S HN 0.546 nan 8.310 nan 0.000 0.474 524 P HA -0.033 nan 4.420 nan 0.000 0.222 524 P C 0.667 177.904 177.300 -0.104 0.000 1.147 524 P CA 0.834 63.610 63.100 -0.540 0.000 0.790 524 P CB 0.147 31.644 31.700 -0.338 0.000 0.780 525 L N -1.369 119.844 121.223 -0.015 0.000 2.607 525 L HA 0.180 4.519 4.340 -0.001 0.000 0.228 525 L C 1.315 178.326 176.870 0.234 0.000 1.123 525 L CA -0.142 54.770 54.840 0.121 0.000 0.890 525 L CB -0.232 41.899 42.059 0.120 0.000 1.103 525 L HN -0.114 nan 8.230 nan 0.000 0.468 526 K N 0.570 121.069 120.400 0.165 0.000 2.297 526 K HA 0.093 4.412 4.320 -0.001 0.000 0.286 526 K C -1.050 175.775 176.600 0.375 0.000 1.053 526 K CA -0.580 55.882 56.287 0.292 0.000 0.940 526 K CB 0.610 33.221 32.500 0.185 0.000 1.019 526 K HN -0.111 nan 8.250 nan 0.000 0.475 527 W N 3.034 124.487 121.300 0.256 0.000 2.303 527 W HA 0.349 5.008 4.660 -0.001 0.000 0.334 527 W C 1.062 177.750 176.519 0.283 0.000 1.197 527 W CA 1.146 58.693 57.345 0.336 0.000 1.262 527 W CB 0.708 30.422 29.460 0.423 0.000 1.153 527 W HN 0.992 nan 8.180 nan 0.000 0.596 528 G N 1.782 110.856 108.800 0.456 0.000 2.547 528 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.271 528 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.271 528 G C 0.528 175.094 174.900 -0.557 0.000 1.209 528 G CA 1.171 46.203 45.100 -0.114 0.000 0.959 528 G HN 0.780 nan 8.290 nan 0.000 0.563 529 D N -2.411 116.996 120.400 -1.656 0.000 4.471 529 D HA -0.213 4.427 4.640 -0.001 0.000 0.191 529 D C 2.153 178.136 176.300 -0.528 0.000 0.625 529 D CA 4.292 57.717 54.000 -0.957 0.000 1.190 529 D CB -1.543 39.047 40.800 -0.350 0.000 0.677 529 D HN 1.837 nan 8.370 nan 0.000 0.467 530 A N -0.661 121.962 122.820 -0.328 0.000 2.014 530 A HA 0.265 4.584 4.320 -0.001 0.000 0.218 530 A C 1.176 178.325 177.584 -0.726 0.000 1.163 530 A CA 1.376 53.113 52.037 -0.501 0.000 0.652 530 A CB -0.280 18.366 19.000 -0.591 0.000 0.808 530 A HN 0.261 nan 8.150 nan 0.000 0.449 531 F N -1.596 118.247 119.950 -0.177 0.000 2.671 531 F HA 0.549 5.076 4.527 -0.001 0.000 0.373 531 F C 0.640 176.363 175.800 -0.128 0.000 1.122 531 F CA -0.378 57.479 58.000 -0.239 0.000 1.082 531 F CB 1.147 40.063 39.000 -0.141 0.000 1.399 531 F HN -0.168 nan 8.300 nan 0.000 0.509 532 T N -1.107 113.578 114.554 0.217 0.000 2.815 532 T HA 0.339 4.689 4.350 -0.001 0.000 0.289 532 T C -0.590 174.406 174.700 0.493 0.000 1.000 532 T CA -0.430 61.861 62.100 0.318 0.000 0.958 532 T CB 0.378 69.356 68.868 0.183 0.000 0.944 532 T HN 0.696 nan 8.240 nan 0.000 0.442 533 E N 1.799 122.286 120.200 0.478 0.000 2.328 533 E HA -0.162 4.188 4.350 -0.001 0.000 0.233 533 E C 0.357 177.156 176.600 0.331 0.000 1.219 533 E CA 0.717 57.394 56.400 0.462 0.000 0.717 533 E CB -1.579 28.271 29.700 0.250 0.000 1.210 533 E HN 1.144 nan 8.360 nan 0.000 0.381 534 G N 0.104 109.018 108.800 0.189 0.000 2.523 534 G HA2 0.420 4.379 3.960 -0.001 0.000 0.291 534 G HA3 0.420 4.379 3.960 -0.001 0.000 0.291 534 G C -1.033 173.663 174.900 -0.340 0.000 1.450 534 G CA -0.385 44.512 45.100 -0.338 0.000 0.790 534 G HN 0.120 nan 8.290 nan 0.000 0.496 535 N N -1.439 116.843 118.700 -0.697 0.000 2.725 535 N HA 0.549 5.288 4.740 -0.001 0.000 0.312 535 N C 1.372 176.366 175.510 -0.861 0.000 1.295 535 N CA 0.152 52.846 53.050 -0.593 0.000 0.914 535 N CB 1.163 39.338 38.487 -0.519 0.000 1.177 535 N HN 0.455 nan 8.380 nan 0.000 0.601 536 S N -1.395 113.780 115.700 -0.875 0.000 2.382 536 S HA -0.095 4.374 4.470 -0.001 0.000 0.228 536 S C 0.970 175.127 174.600 -0.737 0.000 1.027 536 S CA 0.887 58.482 58.200 -1.009 0.000 0.991 536 S CB -0.614 62.322 63.200 -0.440 0.000 0.823 536 S HN 0.571 nan 8.310 nan 0.000 0.469 537 W N 0.926 121.872 121.300 -0.589 0.000 2.421 537 W HA 0.010 4.669 4.660 -0.001 0.000 0.270 537 W C 2.138 178.481 176.519 -0.293 0.000 1.233 537 W CA 1.102 58.181 57.345 -0.444 0.000 1.226 537 W CB -0.265 28.967 29.460 -0.381 0.000 1.121 537 W HN 0.594 nan 8.180 nan 0.000 0.579 538 H N -3.996 115.009 119.070 -0.109 0.000 2.418 538 H HA 0.011 4.566 4.556 -0.001 0.000 0.300 538 H C 1.353 176.593 175.328 -0.145 0.000 1.041 538 H CA 1.076 57.062 56.048 -0.103 0.000 1.364 538 H CB -0.396 29.193 29.762 -0.287 0.000 1.439 538 H HN 0.053 nan 8.280 nan 0.000 0.540 539 Y N 0.915 121.075 120.300 -0.233 0.000 2.475 539 Y HA -0.111 4.439 4.550 -0.001 0.000 0.289 539 Y C 2.309 178.075 175.900 -0.223 0.000 1.121 539 Y CA 0.670 58.667 58.100 -0.171 0.000 1.257 539 Y CB 0.303 38.650 38.460 -0.189 0.000 1.026 539 Y HN 0.131 nan 8.280 nan 0.000 0.555 540 T N -0.707 113.621 114.554 -0.376 0.000 2.737 540 T HA -0.262 4.087 4.350 -0.001 0.000 0.269 540 T C 0.923 175.342 174.700 -0.469 0.000 1.040 540 T CA 1.862 63.644 62.100 -0.531 0.000 1.142 540 T CB -0.501 67.789 68.868 -0.963 0.000 0.861 540 T HN 0.514 nan 8.240 nan 0.000 0.456 541 W N 1.568 122.816 121.300 -0.087 0.000 3.077 541 W HA 0.214 4.873 4.660 -0.000 0.000 0.245 541 W C 1.108 177.547 176.519 -0.134 0.000 1.316 541 W CA -0.500 56.783 57.345 -0.104 0.000 1.537 541 W CB -0.379 28.971 29.460 -0.184 0.000 1.131 541 W HN -0.023 nan 8.180 nan 0.000 0.695 542 S N 1.152 116.811 115.700 -0.069 0.000 4.069 542 S HA 0.206 4.675 4.470 -0.001 0.000 0.192 542 S C 0.185 174.488 174.600 -0.493 0.000 1.441 542 S CA -0.082 57.836 58.200 -0.471 0.000 0.994 542 S CB -0.360 62.831 63.200 -0.015 0.000 1.456 542 S HN -0.049 nan 8.310 nan 0.000 0.458 543 V N 2.679 122.239 119.914 -0.590 0.000 2.454 543 V HA 0.230 4.350 4.120 -0.001 0.000 0.255 543 V C 0.494 176.273 176.094 -0.526 0.000 1.009 543 V CA -0.472 61.507 62.300 -0.535 0.000 1.149 543 V CB -0.787 30.602 31.823 -0.723 0.000 1.418 543 V HN 0.612 nan 8.190 nan 0.000 0.567 544 F N 0.764 120.571 119.950 -0.239 0.000 2.120 544 F HA -0.213 4.314 4.527 -0.001 0.000 0.300 544 F C 2.513 178.154 175.800 -0.265 0.000 1.095 544 F CA 2.146 59.942 58.000 -0.340 0.000 1.249 544 F CB -0.403 38.205 39.000 -0.654 0.000 0.995 544 F HN 0.642 nan 8.300 nan 0.000 0.480 545 H N -2.227 116.714 119.070 -0.214 0.000 2.553 545 H HA 0.168 4.724 4.556 -0.001 0.000 0.265 545 H C -0.221 174.957 175.328 -0.251 0.000 0.964 545 H CA 0.897 56.660 56.048 -0.475 0.000 1.156 545 H CB -0.124 29.003 29.762 -1.058 0.000 1.411 545 H HN 0.215 nan 8.280 nan 0.000 0.558 546 D N 0.344 120.334 120.400 -0.683 0.000 3.060 546 D HA 0.221 4.861 4.640 -0.001 0.000 0.326 546 D C -2.126 173.881 176.300 -0.488 0.000 1.253 546 D CA -1.707 51.990 54.000 -0.506 0.000 0.737 546 D CB 0.918 41.456 40.800 -0.437 0.000 1.260 546 D HN 0.016 nan 8.370 nan 0.000 0.542 547 P HA -0.126 nan 4.420 nan 0.000 0.219 547 P C 1.388 178.445 177.300 -0.404 0.000 1.150 547 P CA 0.826 63.627 63.100 -0.499 0.000 0.814 547 P CB 0.470 31.649 31.700 -0.868 0.000 0.787 548 Q N 0.324 119.955 119.800 -0.283 0.000 2.084 548 Q HA -0.091 4.248 4.340 -0.001 0.000 0.202 548 Q C 2.205 178.087 176.000 -0.197 0.000 0.978 548 Q CA 2.298 57.969 55.803 -0.219 0.000 0.844 548 Q CB -1.631 27.024 28.738 -0.138 0.000 0.898 548 Q HN 0.166 nan 8.270 nan 0.000 0.426 549 G N 0.626 109.330 108.800 -0.159 0.000 2.469 549 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.219 549 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.219 549 G C 1.341 176.196 174.900 -0.075 0.000 1.150 549 G CA 1.081 46.150 45.100 -0.053 0.000 0.763 549 G HN 0.424 nan 8.290 nan 0.000 0.561 550 L N 0.448 121.570 121.223 -0.168 0.000 2.072 550 L HA 0.220 4.559 4.340 -0.001 0.000 0.205 550 L C 2.663 179.460 176.870 -0.121 0.000 1.079 550 L CA 1.073 55.827 54.840 -0.143 0.000 0.752 550 L CB -0.316 41.681 42.059 -0.103 0.000 0.906 550 L HN 0.246 nan 8.230 nan 0.000 0.436 551 I N -0.013 120.403 120.570 -0.256 0.000 2.194 551 I HA -0.338 3.831 4.170 -0.001 0.000 0.246 551 I C 1.994 178.044 176.117 -0.110 0.000 1.093 551 I CA 1.505 62.637 61.300 -0.280 0.000 1.355 551 I CB -0.565 37.123 38.000 -0.519 0.000 1.046 551 I HN 0.308 nan 8.210 nan 0.000 0.413 552 D N 0.787 121.104 120.400 -0.138 0.000 2.104 552 D HA -0.156 4.484 4.640 -0.001 0.000 0.194 552 D C 2.330 178.545 176.300 -0.141 0.000 0.994 552 D CA 1.275 55.209 54.000 -0.110 0.000 0.830 552 D CB -0.421 40.314 40.800 -0.109 0.000 0.959 552 D HN 0.291 nan 8.370 nan 0.000 0.452 553 L N -0.037 121.022 121.223 -0.272 0.000 2.079 553 L HA -0.137 4.203 4.340 -0.001 0.000 0.210 553 L C 2.490 179.157 176.870 -0.338 0.000 1.081 553 L CA 0.942 55.450 54.840 -0.553 0.000 0.752 553 L CB -0.302 41.003 42.059 -1.258 0.000 0.896 553 L HN 0.041 nan 8.230 nan 0.000 0.433 554 M N -1.195 118.343 119.600 -0.103 0.000 2.492 554 M HA 0.053 4.532 4.480 -0.001 0.000 0.262 554 M C 1.163 177.544 176.300 0.135 0.000 1.090 554 M CA 1.027 56.433 55.300 0.177 0.000 1.110 554 M CB 0.124 32.890 32.600 0.276 0.000 1.407 554 M HN 0.451 nan 8.290 nan 0.000 0.470 555 G N 0.815 109.654 108.800 0.065 0.000 2.145 555 G HA2 0.090 4.049 3.960 -0.001 0.000 0.176 555 G HA3 0.090 4.049 3.960 -0.001 0.000 0.176 555 G C 0.256 175.193 174.900 0.062 0.000 1.013 555 G CA -0.212 44.922 45.100 0.057 0.000 0.689 555 G HN 0.896 nan 8.290 nan 0.000 0.506 556 G N -0.579 108.253 108.800 0.054 0.000 2.612 556 G HA2 0.297 4.257 3.960 -0.001 0.000 0.686 556 G HA3 0.297 4.257 3.960 -0.001 0.000 0.686 556 G C 0.766 175.728 174.900 0.104 0.000 1.274 556 G CA 0.374 45.504 45.100 0.050 0.000 0.849 556 G HN 1.431 nan 8.290 nan 0.000 0.595 557 K N -0.063 120.385 120.400 0.080 0.000 2.103 557 K HA -0.135 4.185 4.320 -0.001 0.000 0.207 557 K C 1.803 178.536 176.600 0.221 0.000 1.048 557 K CA 2.302 58.669 56.287 0.133 0.000 0.930 557 K CB -0.088 32.462 32.500 0.083 0.000 0.716 557 K HN 0.472 nan 8.250 nan 0.000 0.444 558 E N 1.214 121.515 120.200 0.168 0.000 2.031 558 E HA -0.147 4.203 4.350 -0.001 0.000 0.193 558 E C 2.074 178.787 176.600 0.189 0.000 0.994 558 E CA 1.703 58.203 56.400 0.167 0.000 0.800 558 E CB -0.268 29.507 29.700 0.125 0.000 0.752 558 E HN 0.218 nan 8.360 nan 0.000 0.447 559 M N -0.458 119.251 119.600 0.183 0.000 2.080 559 M HA -0.120 4.359 4.480 -0.001 0.000 0.260 559 M C 1.953 178.402 176.300 0.249 0.000 1.068 559 M CA 1.388 56.801 55.300 0.189 0.000 1.109 559 M CB -0.292 32.407 32.600 0.165 0.000 1.342 559 M HN 0.161 nan 8.290 nan 0.000 0.405 560 F N -0.476 119.555 119.950 0.134 0.000 2.095 560 F HA -0.245 4.282 4.527 -0.001 0.000 0.298 560 F C 1.980 177.890 175.800 0.183 0.000 1.104 560 F CA 1.588 59.689 58.000 0.169 0.000 1.232 560 F CB -0.277 38.799 39.000 0.127 0.000 0.987 560 F HN -0.139 nan 8.300 nan 0.000 0.475 561 V N -0.294 119.805 119.914 0.309 0.000 2.358 561 V HA -0.309 3.811 4.120 -0.001 0.000 0.246 561 V C 2.308 178.515 176.094 0.189 0.000 1.047 561 V CA 2.401 64.845 62.300 0.240 0.000 1.035 561 V CB -0.937 31.061 31.823 0.292 0.000 0.658 561 V HN 0.431 nan 8.190 nan 0.000 0.452 562 T N -0.426 114.238 114.554 0.184 0.000 2.720 562 T HA -0.292 4.058 4.350 -0.001 0.000 0.268 562 T C 1.868 176.676 174.700 0.180 0.000 1.037 562 T CA 2.177 64.379 62.100 0.171 0.000 1.144 562 T CB -0.313 68.648 68.868 0.155 0.000 0.864 562 T HN 0.254 nan 8.240 nan 0.000 0.444 563 M N 0.567 120.279 119.600 0.186 0.000 2.086 563 M HA 0.069 4.549 4.480 -0.001 0.000 0.261 563 M C 2.156 178.648 176.300 0.319 0.000 1.067 563 M CA 1.543 57.015 55.300 0.287 0.000 1.116 563 M CB -0.508 32.230 32.600 0.230 0.000 1.348 563 M HN 0.169 nan 8.290 nan 0.000 0.407 564 M N -0.382 119.237 119.600 0.031 0.000 2.065 564 M HA -0.264 4.215 4.480 -0.001 0.000 0.259 564 M C 1.636 177.934 176.300 -0.004 0.000 1.069 564 M CA 1.867 56.981 55.300 -0.311 0.000 1.110 564 M CB -1.139 31.025 32.600 -0.727 0.000 1.328 564 M HN 0.193 nan 8.290 nan 0.000 0.405 565 D N 0.345 120.859 120.400 0.190 0.000 2.221 565 D HA -0.113 4.527 4.640 -0.001 0.000 0.204 565 D C 2.059 178.473 176.300 0.189 0.000 0.982 565 D CA 1.744 55.925 54.000 0.301 0.000 0.857 565 D CB -0.216 40.746 40.800 0.270 0.000 0.934 565 D HN 0.429 nan 8.370 nan 0.000 0.475 566 S N -0.406 115.354 115.700 0.099 0.000 2.461 566 S HA -0.057 4.412 4.470 -0.001 0.000 0.228 566 S C 2.144 176.603 174.600 -0.235 0.000 1.005 566 S CA 0.351 58.533 58.200 -0.030 0.000 0.942 566 S CB -0.292 62.900 63.200 -0.013 0.000 0.776 566 S HN 0.058 nan 8.310 nan 0.000 0.514 567 V N 1.113 120.877 119.914 -0.250 0.000 2.287 567 V HA -0.161 3.959 4.120 -0.001 0.000 0.248 567 V C 2.193 177.991 176.094 -0.494 0.000 1.053 567 V CA 2.105 64.145 62.300 -0.434 0.000 1.027 567 V CB -1.077 30.466 31.823 -0.467 0.000 0.646 567 V HN 0.534 nan 8.190 nan 0.000 0.447 568 F N 0.431 120.217 119.950 -0.273 0.000 2.259 568 F HA 0.088 4.615 4.527 -0.001 0.000 0.298 568 F C 2.325 178.050 175.800 -0.124 0.000 1.088 568 F CA 1.081 58.888 58.000 -0.323 0.000 1.358 568 F CB -0.762 37.804 39.000 -0.723 0.000 1.040 568 F HN 0.090 nan 8.300 nan 0.000 0.505 569 A N 0.170 123.036 122.820 0.076 0.000 2.021 569 A HA 0.148 4.467 4.320 -0.001 0.000 0.216 569 A C 1.028 178.611 177.584 -0.002 0.000 1.163 569 A CA 0.592 52.673 52.037 0.074 0.000 0.676 569 A CB -1.056 17.991 19.000 0.079 0.000 0.818 569 A HN 0.077 nan 8.150 nan 0.000 0.453 570 V N -1.974 117.884 119.914 -0.094 0.000 2.881 570 V HA 0.397 4.517 4.120 -0.001 0.000 0.303 570 V C -2.425 173.627 176.094 -0.070 0.000 1.070 570 V CA -2.378 59.848 62.300 -0.124 0.000 1.074 570 V CB 0.242 31.902 31.823 -0.271 0.000 1.012 570 V HN 0.230 nan 8.190 nan 0.000 0.482 571 P HA 0.236 nan 4.420 nan 0.000 0.270 571 P C -2.522 174.779 177.300 0.001 0.000 1.223 571 P CA -1.528 61.568 63.100 -0.008 0.000 0.785 571 P CB -0.255 31.441 31.700 -0.006 0.000 0.923 572 P HA 0.161 nan 4.420 nan 0.000 0.220 572 P C 0.151 177.571 177.300 0.200 0.000 1.778 572 P CA -0.262 62.914 63.100 0.126 0.000 0.912 572 P CB -0.725 31.060 31.700 0.142 0.000 1.861 573 I N 0.502 121.136 120.570 0.107 0.000 2.720 573 I HA 0.557 4.726 4.170 -0.001 0.000 0.287 573 I C -0.611 175.619 176.117 0.188 0.000 1.090 573 I CA -0.428 60.901 61.300 0.048 0.000 1.384 573 I CB 0.147 38.109 38.000 -0.064 0.000 1.420 573 I HN 0.001 nan 8.210 nan 0.000 0.575 574 F N 2.949 122.949 119.950 0.084 0.000 2.668 574 F HA 0.615 5.142 4.527 -0.001 0.000 0.309 574 F C -1.563 174.301 175.800 0.108 0.000 1.117 574 F CA -1.175 56.917 58.000 0.154 0.000 0.951 574 F CB 0.971 40.008 39.000 0.061 0.000 1.323 574 F HN 0.522 nan 8.300 nan 0.000 0.451 575 D N 1.530 122.172 120.400 0.403 0.000 2.425 575 D HA 0.234 4.874 4.640 -0.001 0.000 0.240 575 D C -0.579 175.979 176.300 0.431 0.000 1.080 575 D CA -0.388 53.785 54.000 0.288 0.000 0.836 575 D CB 1.459 42.378 40.800 0.198 0.000 1.125 575 D HN 0.722 nan 8.370 nan 0.000 0.525 576 D N 1.239 121.879 120.400 0.400 0.000 2.402 576 D HA -0.046 4.593 4.640 -0.001 0.000 0.216 576 D C 1.195 177.674 176.300 0.298 0.000 1.128 576 D CA -0.066 54.154 54.000 0.367 0.000 0.833 576 D CB -0.036 40.935 40.800 0.285 0.000 0.971 576 D HN 0.205 nan 8.370 nan 0.000 0.503 577 S N -0.215 115.626 115.700 0.235 0.000 2.387 577 S HA -0.312 4.157 4.470 -0.001 0.000 0.230 577 S C 1.974 176.658 174.600 0.141 0.000 1.035 577 S CA 0.780 59.077 58.200 0.162 0.000 1.014 577 S CB -1.119 62.159 63.200 0.130 0.000 0.836 577 S HN 0.385 nan 8.310 nan 0.000 0.466 578 Y N 1.920 122.224 120.300 0.006 0.000 2.165 578 Y HA -0.214 4.335 4.550 -0.001 0.000 0.286 578 Y C 1.942 177.684 175.900 -0.264 0.000 1.155 578 Y CA 1.539 59.538 58.100 -0.169 0.000 1.164 578 Y CB -0.643 37.644 38.460 -0.287 0.000 0.978 578 Y HN 0.284 nan 8.280 nan 0.000 0.513 579 Y N -0.825 119.488 120.300 0.023 0.000 2.420 579 Y HA 0.179 4.728 4.550 -0.001 0.000 0.292 579 Y C 2.352 178.214 175.900 -0.063 0.000 1.119 579 Y CA 0.849 58.892 58.100 -0.096 0.000 1.229 579 Y CB -0.434 38.013 38.460 -0.023 0.000 1.026 579 Y HN 0.230 nan 8.280 nan 0.000 0.554 580 G N -0.002 108.867 108.800 0.115 0.000 2.234 580 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.260 580 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.260 580 G C 0.153 175.110 174.900 0.096 0.000 0.987 580 G CA 0.498 45.647 45.100 0.080 0.000 0.625 580 G HN 0.498 nan 8.290 nan 0.000 0.532 581 Q N -1.324 118.545 119.800 0.115 0.000 2.565 581 Q HA 0.676 5.015 4.340 -0.001 0.000 0.294 581 Q C -0.737 175.273 176.000 0.016 0.000 1.005 581 Q CA -0.996 54.854 55.803 0.079 0.000 0.771 581 Q CB 1.864 30.655 28.738 0.089 0.000 1.486 581 Q HN 0.403 nan 8.270 nan 0.000 0.422 582 V N 3.106 123.001 119.914 -0.032 0.000 2.326 582 V HA 0.142 4.262 4.120 -0.001 0.000 0.249 582 V C 0.657 176.584 176.094 -0.279 0.000 1.114 582 V CA -0.300 61.880 62.300 -0.200 0.000 1.028 582 V CB -1.426 30.302 31.823 -0.159 0.000 1.170 582 V HN 0.645 nan 8.190 nan 0.000 0.494 583 I N 1.052 121.379 120.570 -0.404 0.000 2.892 583 I HA 0.153 4.322 4.170 -0.001 0.000 0.287 583 I C 1.793 177.599 176.117 -0.519 0.000 1.205 583 I CA -0.099 60.910 61.300 -0.485 0.000 1.409 583 I CB 0.201 37.785 38.000 -0.694 0.000 1.367 583 I HN 0.741 nan 8.210 nan 0.000 0.597 584 H N 1.788 120.606 119.070 -0.420 0.000 2.422 584 H HA -0.149 4.407 4.556 -0.001 0.000 0.298 584 H C 1.480 176.641 175.328 -0.278 0.000 1.098 584 H CA 1.773 57.645 56.048 -0.295 0.000 1.315 584 H CB -0.433 29.220 29.762 -0.181 0.000 1.382 584 H HN 0.754 nan 8.280 nan 0.000 0.523 585 E N 0.779 120.488 120.200 -0.819 0.000 2.118 585 E HA -0.097 4.253 4.350 -0.001 0.000 0.195 585 E C 2.128 178.451 176.600 -0.461 0.000 0.992 585 E CA 1.565 57.666 56.400 -0.498 0.000 0.804 585 E CB -0.106 29.357 29.700 -0.397 0.000 0.741 585 E HN 0.625 nan 8.360 nan 0.000 0.458 586 I N -0.043 120.022 120.570 -0.842 0.000 2.233 586 I HA -0.201 3.968 4.170 -0.001 0.000 0.243 586 I C 2.428 178.164 176.117 -0.634 0.000 1.093 586 I CA 0.788 61.428 61.300 -1.100 0.000 1.380 586 I CB -0.093 36.965 38.000 -1.571 0.000 1.067 586 I HN 0.005 nan 8.210 nan 0.000 0.413 587 R N 1.525 121.738 120.500 -0.479 0.000 2.081 587 R HA -0.187 4.153 4.340 -0.001 0.000 0.235 587 R C 1.998 178.210 176.300 -0.147 0.000 1.131 587 R CA 1.638 57.580 56.100 -0.264 0.000 0.960 587 R CB -0.305 29.891 30.300 -0.174 0.000 0.856 587 R HN 0.330 nan 8.270 nan 0.000 0.436 588 E N -0.370 119.754 120.200 -0.126 0.000 2.118 588 E HA -0.245 4.105 4.350 -0.001 0.000 0.195 588 E C 1.917 178.489 176.600 -0.047 0.000 0.992 588 E CA 1.719 58.087 56.400 -0.054 0.000 0.804 588 E CB -0.196 29.487 29.700 -0.028 0.000 0.741 588 E HN 0.371 nan 8.360 nan 0.000 0.458 589 M N 0.708 120.268 119.600 -0.066 0.000 2.099 589 M HA -0.175 4.305 4.480 -0.001 0.000 0.262 589 M C 2.410 178.720 176.300 0.017 0.000 1.067 589 M CA 2.118 57.415 55.300 -0.006 0.000 1.124 589 M CB -0.353 32.295 32.600 0.080 0.000 1.353 589 M HN 0.227 nan 8.290 nan 0.000 0.410 590 T N -1.271 113.277 114.554 -0.009 0.000 2.759 590 T HA -0.113 4.236 4.350 -0.001 0.000 0.269 590 T C 1.532 176.257 174.700 0.042 0.000 1.042 590 T CA 1.673 63.798 62.100 0.043 0.000 1.140 590 T CB -1.537 67.365 68.868 0.058 0.000 0.864 590 T HN 0.464 nan 8.240 nan 0.000 0.455 591 V N -1.117 118.809 119.914 0.020 0.000 3.041 591 V HA 0.225 4.345 4.120 -0.001 0.000 0.260 591 V C 2.455 178.570 176.094 0.036 0.000 1.105 591 V CA 1.005 63.321 62.300 0.026 0.000 1.125 591 V CB -1.134 30.698 31.823 0.015 0.000 0.730 591 V HN 0.378 nan 8.190 nan 0.000 0.479 592 M N 0.584 120.208 119.600 0.041 0.000 2.476 592 M HA 0.123 4.603 4.480 -0.001 0.000 0.262 592 M C 1.188 177.535 176.300 0.078 0.000 1.079 592 M CA 1.007 56.340 55.300 0.054 0.000 1.104 592 M CB -0.440 32.194 32.600 0.058 0.000 1.409 592 M HN 0.577 nan 8.290 nan 0.000 0.467 593 N N 0.878 119.627 118.700 0.081 0.000 2.725 593 N HA -0.189 4.550 4.740 -0.001 0.000 0.251 593 N C -0.582 175.012 175.510 0.140 0.000 1.031 593 N CA 0.824 53.933 53.050 0.097 0.000 0.720 593 N CB -0.776 37.762 38.487 0.086 0.000 0.930 593 N HN 0.439 nan 8.380 nan 0.000 0.543 594 M N -0.712 118.976 119.600 0.147 0.000 2.875 594 M HA 0.265 4.745 4.480 -0.001 0.000 0.403 594 M C 1.349 177.728 176.300 0.132 0.000 1.304 594 M CA 0.163 55.585 55.300 0.203 0.000 0.854 594 M CB 0.501 33.264 32.600 0.271 0.000 1.415 594 M HN 0.366 nan 8.290 nan 0.000 0.505 595 G N 2.092 110.943 108.800 0.086 0.000 2.583 595 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.292 595 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.292 595 G C 0.329 175.232 174.900 0.005 0.000 1.203 595 G CA 0.304 45.412 45.100 0.014 0.000 0.987 595 G HN 0.575 nan 8.290 nan 0.000 0.554 596 N N 0.230 118.884 118.700 -0.076 0.000 2.313 596 N HA 0.077 4.817 4.740 -0.001 0.000 0.207 596 N C -0.041 175.486 175.510 0.030 0.000 1.141 596 N CA 0.002 53.064 53.050 0.020 0.000 0.830 596 N CB 0.162 38.597 38.487 -0.087 0.000 1.008 596 N HN 0.425 nan 8.380 nan 0.000 0.481 597 Y N 1.992 122.148 120.300 -0.240 0.000 2.573 597 Y HA 0.236 4.785 4.550 -0.001 0.000 0.346 597 Y C 0.287 176.093 175.900 -0.156 0.000 1.198 597 Y CA -0.967 56.945 58.100 -0.313 0.000 1.627 597 Y CB -0.257 37.899 38.460 -0.507 0.000 1.457 597 Y HN -0.031 nan 8.280 nan 0.000 0.483 598 A N 4.687 127.137 122.820 -0.616 0.000 3.091 598 A HA 0.080 4.400 4.320 -0.001 0.000 0.264 598 A C 1.167 178.378 177.584 -0.621 0.000 1.673 598 A CA -0.186 51.534 52.037 -0.528 0.000 1.362 598 A CB -1.097 17.547 19.000 -0.594 0.000 1.137 598 A HN 1.009 nan 8.150 nan 0.000 0.617 599 H N 1.272 119.876 119.070 -0.778 0.000 2.489 599 H HA -0.054 4.501 4.556 -0.001 0.000 0.293 599 H C 1.985 177.091 175.328 -0.369 0.000 1.066 599 H CA 1.904 57.554 56.048 -0.663 0.000 1.305 599 H CB 0.210 29.692 29.762 -0.466 0.000 1.386 599 H HN 0.541 nan 8.280 nan 0.000 0.551 600 G N -0.806 107.865 108.800 -0.216 0.000 2.625 600 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.214 600 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.214 600 G C 0.187 175.009 174.900 -0.131 0.000 1.132 600 G CA 0.301 45.321 45.100 -0.133 0.000 0.782 600 G HN 0.337 nan 8.290 nan 0.000 0.538 601 N N -2.106 116.472 118.700 -0.203 0.000 2.357 601 N HA 0.357 5.097 4.740 -0.001 0.000 0.284 601 N C 0.714 176.108 175.510 -0.193 0.000 1.236 601 N CA -0.658 52.328 53.050 -0.108 0.000 0.774 601 N CB 1.657 40.136 38.487 -0.012 0.000 1.534 601 N HN -0.201 nan 8.380 nan 0.000 0.478 602 Q N 0.440 120.183 119.800 -0.094 0.000 2.123 602 Q HA 0.143 4.483 4.340 -0.001 0.000 0.199 602 Q C -1.209 174.618 176.000 -0.288 0.000 0.966 602 Q CA 1.566 57.224 55.803 -0.242 0.000 0.845 602 Q CB -0.737 27.774 28.738 -0.379 0.000 0.907 602 Q HN 0.585 nan 8.270 nan 0.000 0.439 603 P HA -0.155 nan 4.420 nan 0.000 0.216 603 P C 0.903 178.110 177.300 -0.155 0.000 1.150 603 P CA 1.120 64.012 63.100 -0.347 0.000 0.837 603 P CB 0.076 31.419 31.700 -0.595 0.000 0.786 604 I N -1.059 119.383 120.570 -0.214 0.000 3.578 604 I HA -0.087 4.083 4.170 -0.001 0.000 0.295 604 I C 1.790 177.811 176.117 -0.161 0.000 1.280 604 I CA 0.556 61.739 61.300 -0.196 0.000 1.347 604 I CB -0.140 37.676 38.000 -0.307 0.000 1.051 604 I HN -0.065 nan 8.210 nan 0.000 0.460 605 Q N 0.028 119.767 119.800 -0.101 0.000 2.297 605 Q HA -0.235 4.104 4.340 -0.001 0.000 0.208 605 Q C 1.660 177.842 176.000 0.303 0.000 0.981 605 Q CA 1.402 57.183 55.803 -0.037 0.000 0.876 605 Q CB -0.136 28.503 28.738 -0.165 0.000 0.921 605 Q HN 0.721 nan 8.270 nan 0.000 0.446 606 H N -1.178 118.041 119.070 0.249 0.000 2.563 606 H HA 0.116 4.672 4.556 -0.001 0.000 0.264 606 H C 1.767 177.270 175.328 0.292 0.000 0.957 606 H CA 0.137 56.360 56.048 0.292 0.000 1.173 606 H CB -0.240 29.770 29.762 0.415 0.000 1.420 606 H HN 0.187 nan 8.280 nan 0.000 0.551 607 M N 1.435 120.769 119.600 -0.444 0.000 2.080 607 M HA -0.151 4.329 4.480 -0.001 0.000 0.260 607 M C 1.890 178.021 176.300 -0.281 0.000 1.068 607 M CA 1.544 56.511 55.300 -0.556 0.000 1.109 607 M CB -0.258 31.983 32.600 -0.598 0.000 1.342 607 M HN 0.244 nan 8.290 nan 0.000 0.405 608 I N -0.493 120.029 120.570 -0.081 0.000 2.335 608 I HA -0.337 3.832 4.170 -0.001 0.000 0.251 608 I C 1.924 178.048 176.117 0.011 0.000 1.129 608 I CA 1.458 62.729 61.300 -0.048 0.000 1.402 608 I CB -0.677 37.316 38.000 -0.011 0.000 1.069 608 I HN 0.283 nan 8.210 nan 0.000 0.424 609 Y N -0.144 120.242 120.300 0.142 0.000 2.333 609 Y HA -0.203 4.347 4.550 -0.001 0.000 0.290 609 Y C 2.205 178.298 175.900 0.322 0.000 1.144 609 Y CA 0.575 58.816 58.100 0.235 0.000 1.228 609 Y CB -0.280 38.339 38.460 0.265 0.000 0.985 609 Y HN 0.093 nan 8.280 nan 0.000 0.542 610 L N -1.339 120.091 121.223 0.345 0.000 2.261 610 L HA -0.243 4.096 4.340 -0.001 0.000 0.216 610 L C 1.742 178.831 176.870 0.365 0.000 1.114 610 L CA 1.356 56.413 54.840 0.361 0.000 0.777 610 L CB -1.517 40.628 42.059 0.143 0.000 0.910 610 L HN 0.272 nan 8.230 nan 0.000 0.440 611 Y N 0.143 120.572 120.300 0.216 0.000 2.256 611 Y HA -0.262 4.287 4.550 -0.001 0.000 0.288 611 Y C 2.345 178.301 175.900 0.093 0.000 1.155 611 Y CA 1.310 59.481 58.100 0.118 0.000 1.203 611 Y CB -0.583 37.866 38.460 -0.017 0.000 0.980 611 Y HN 0.272 nan 8.280 nan 0.000 0.530 612 D N -1.273 119.304 120.400 0.295 0.000 2.123 612 D HA -0.213 4.427 4.640 -0.001 0.000 0.196 612 D C 1.844 178.202 176.300 0.096 0.000 0.992 612 D CA 1.582 55.674 54.000 0.153 0.000 0.833 612 D CB -0.630 40.245 40.800 0.124 0.000 0.954 612 D HN 0.377 nan 8.370 nan 0.000 0.455 613 Y N 0.355 120.714 120.300 0.099 0.000 2.421 613 Y HA 0.070 4.619 4.550 -0.001 0.000 0.292 613 Y C 2.146 178.015 175.900 -0.051 0.000 1.136 613 Y CA 0.841 58.947 58.100 0.010 0.000 1.255 613 Y CB -0.158 38.273 38.460 -0.048 0.000 0.991 613 Y HN -0.061 nan 8.280 nan 0.000 0.552 614 A N -0.658 122.253 122.820 0.151 0.000 2.345 614 A HA 0.471 4.790 4.320 -0.001 0.000 0.225 614 A C 1.862 179.491 177.584 0.074 0.000 1.243 614 A CA 0.601 52.693 52.037 0.092 0.000 0.875 614 A CB -0.866 18.287 19.000 0.254 0.000 0.929 614 A HN 0.521 nan 8.150 nan 0.000 0.502 615 G N -0.874 107.953 108.800 0.044 0.000 2.137 615 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.237 615 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.237 615 G C -0.018 174.796 174.900 -0.142 0.000 1.002 615 G CA 0.364 45.473 45.100 0.016 0.000 0.702 615 G HN 0.599 nan 8.290 nan 0.000 0.515 616 Q N -0.523 119.078 119.800 -0.332 0.000 2.928 616 Q HA 0.209 4.549 4.340 -0.001 0.000 0.353 616 Q C -1.703 173.784 176.000 -0.854 0.000 0.870 616 Q CA -1.473 53.657 55.803 -1.121 0.000 0.963 616 Q CB 1.866 30.013 28.738 -0.986 0.000 1.419 616 Q HN 0.343 nan 8.270 nan 0.000 0.396 617 P HA -0.173 nan 4.420 nan 0.000 0.222 617 P C 0.830 178.138 177.300 0.013 0.000 1.147 617 P CA 0.929 63.997 63.100 -0.053 0.000 0.790 617 P CB -0.096 31.673 31.700 0.114 0.000 0.780 618 W N 1.435 122.798 121.300 0.105 0.000 2.392 618 W HA 0.028 4.688 4.660 -0.001 0.000 0.279 618 W C 1.747 178.356 176.519 0.151 0.000 1.225 618 W CA 0.851 58.299 57.345 0.171 0.000 1.233 618 W CB -1.492 27.998 29.460 0.049 0.000 1.122 618 W HN -0.146 nan 8.180 nan 0.000 0.561 619 K N 0.606 120.773 120.400 -0.388 0.000 2.155 619 K HA 0.017 4.337 4.320 -0.001 0.000 0.203 619 K C 2.481 178.904 176.600 -0.294 0.000 1.052 619 K CA 1.255 57.253 56.287 -0.482 0.000 0.948 619 K CB -0.407 31.390 32.500 -1.172 0.000 0.728 619 K HN 0.233 nan 8.250 nan 0.000 0.448 620 A N 1.444 124.181 122.820 -0.138 0.000 1.898 620 A HA -0.219 4.100 4.320 -0.001 0.000 0.216 620 A C 2.010 179.596 177.584 0.003 0.000 1.181 620 A CA 1.287 53.353 52.037 0.049 0.000 0.620 620 A CB -0.398 18.647 19.000 0.074 0.000 0.819 620 A HN 0.281 nan 8.150 nan 0.000 0.442 621 Q N -1.934 117.909 119.800 0.072 0.000 2.084 621 Q HA -0.198 4.142 4.340 -0.001 0.000 0.202 621 Q C 1.996 177.982 176.000 -0.023 0.000 0.978 621 Q CA 1.866 57.715 55.803 0.077 0.000 0.844 621 Q CB -0.419 28.448 28.738 0.214 0.000 0.898 621 Q HN 0.838 nan 8.270 nan 0.000 0.426 622 Y N -0.439 119.786 120.300 -0.124 0.000 2.089 622 Y HA -0.276 4.274 4.550 -0.001 0.000 0.282 622 Y C 1.598 177.146 175.900 -0.585 0.000 1.139 622 Y CA 1.709 59.565 58.100 -0.407 0.000 1.123 622 Y CB -0.359 37.879 38.460 -0.371 0.000 0.980 622 Y HN 0.122 nan 8.280 nan 0.000 0.493 623 W N -0.696 120.450 121.300 -0.257 0.000 2.388 623 W HA -0.157 4.502 4.660 -0.001 0.000 0.294 623 W C 2.124 178.420 176.519 -0.371 0.000 1.212 623 W CA 0.196 57.287 57.345 -0.423 0.000 1.271 623 W CB -0.442 28.713 29.460 -0.509 0.000 1.126 623 W HN 0.097 nan 8.180 nan 0.000 0.535 624 L N 0.566 121.756 121.223 -0.057 0.000 2.042 624 L HA -0.213 4.127 4.340 -0.001 0.000 0.210 624 L C 2.480 179.281 176.870 -0.115 0.000 1.076 624 L CA 1.785 56.600 54.840 -0.041 0.000 0.749 624 L CB -1.515 40.463 42.059 -0.136 0.000 0.893 624 L HN -0.047 nan 8.230 nan 0.000 0.432 625 R N -0.599 119.711 120.500 -0.318 0.000 2.092 625 R HA -0.121 4.218 4.340 -0.001 0.000 0.231 625 R C 2.183 178.233 176.300 -0.417 0.000 1.119 625 R CA 1.167 57.016 56.100 -0.418 0.000 0.970 625 R CB -0.317 29.582 30.300 -0.668 0.000 0.864 625 R HN 0.379 nan 8.270 nan 0.000 0.440 626 Q N -0.144 119.339 119.800 -0.529 0.000 2.096 626 Q HA -0.129 4.211 4.340 -0.001 0.000 0.204 626 Q C 2.137 178.068 176.000 -0.116 0.000 0.982 626 Q CA 1.893 57.470 55.803 -0.377 0.000 0.850 626 Q CB -0.439 28.064 28.738 -0.392 0.000 0.901 626 Q HN 0.280 nan 8.270 nan 0.000 0.422 627 V N 1.018 120.914 119.914 -0.029 0.000 2.295 627 V HA -0.271 3.848 4.120 -0.001 0.000 0.246 627 V C 2.437 178.631 176.094 0.167 0.000 1.049 627 V CA 1.718 64.040 62.300 0.038 0.000 1.024 627 V CB -0.564 31.242 31.823 -0.027 0.000 0.648 627 V HN 0.318 nan 8.190 nan 0.000 0.447 628 M N -0.223 119.485 119.600 0.179 0.000 2.080 628 M HA -0.227 4.252 4.480 -0.001 0.000 0.260 628 M C 1.973 178.408 176.300 0.225 0.000 1.068 628 M CA 2.079 57.518 55.300 0.232 0.000 1.109 628 M CB -0.604 31.974 32.600 -0.038 0.000 1.342 628 M HN 0.318 nan 8.290 nan 0.000 0.405 629 D N -0.483 119.941 120.400 0.040 0.000 2.178 629 D HA -0.075 4.564 4.640 -0.001 0.000 0.202 629 D C 1.982 178.299 176.300 0.029 0.000 0.974 629 D CA 1.135 55.132 54.000 -0.005 0.000 0.841 629 D CB -0.015 40.714 40.800 -0.118 0.000 0.953 629 D HN 0.363 nan 8.370 nan 0.000 0.478 630 R N -1.066 119.460 120.500 0.043 0.000 2.257 630 R HA 0.247 4.586 4.340 -0.001 0.000 0.195 630 R C 1.438 177.766 176.300 0.045 0.000 0.921 630 R CA 0.053 56.170 56.100 0.030 0.000 1.069 630 R CB 0.375 30.682 30.300 0.010 0.000 1.115 630 R HN 0.055 nan 8.270 nan 0.000 0.571 631 M N -0.185 119.467 119.600 0.087 0.000 2.428 631 M HA 0.201 4.681 4.480 -0.001 0.000 0.239 631 M C -0.673 175.533 176.300 -0.156 0.000 1.121 631 M CA 0.495 55.781 55.300 -0.022 0.000 1.019 631 M CB 0.312 32.860 32.600 -0.087 0.000 1.485 631 M HN -0.075 nan 8.290 nan 0.000 0.484 632 Y N 0.180 120.479 120.300 -0.000 0.000 2.346 632 Y HA 0.445 4.994 4.550 -0.001 0.000 0.332 632 Y C 0.445 176.263 175.900 -0.137 0.000 0.985 632 Y CA -1.264 56.771 58.100 -0.108 0.000 1.112 632 Y CB 1.421 39.783 38.460 -0.164 0.000 1.170 632 Y HN 0.002 nan 8.280 nan 0.000 0.447 633 T N -0.299 114.213 114.554 -0.070 0.000 2.916 633 T HA 0.450 4.799 4.350 -0.001 0.000 0.292 633 T C -2.555 172.072 174.700 -0.121 0.000 1.055 633 T CA -2.451 59.608 62.100 -0.069 0.000 1.009 633 T CB 2.620 71.456 68.868 -0.053 0.000 1.118 633 T HN 0.278 nan 8.240 nan 0.000 0.497 634 P HA 0.211 nan 4.420 nan 0.000 0.251 634 P C 0.905 178.169 177.300 -0.061 0.000 1.223 634 P CA 0.070 63.133 63.100 -0.062 0.000 0.796 634 P CB -0.180 31.523 31.700 0.005 0.000 1.068 635 G N 1.643 110.396 108.800 -0.079 0.000 2.563 635 G HA2 0.215 4.174 3.960 -0.001 0.000 0.283 635 G HA3 0.215 4.174 3.960 -0.001 0.000 0.283 635 G C -1.571 173.244 174.900 -0.142 0.000 1.309 635 G CA -1.174 43.861 45.100 -0.108 0.000 1.022 635 G HN -0.106 nan 8.290 nan 0.000 0.501 636 P HA -0.083 nan 4.420 nan 0.000 0.217 636 P C 0.711 177.939 177.300 -0.121 0.000 1.151 636 P CA 1.506 64.434 63.100 -0.286 0.000 0.849 636 P CB 0.108 31.304 31.700 -0.841 0.000 0.787 637 D N -1.533 118.796 120.400 -0.118 0.000 2.889 637 D HA 0.120 4.760 4.640 -0.001 0.000 0.243 637 D C 1.505 177.784 176.300 -0.035 0.000 1.270 637 D CA -0.333 53.647 54.000 -0.033 0.000 0.838 637 D CB -1.039 39.742 40.800 -0.032 0.000 1.040 637 D HN 0.064 nan 8.370 nan 0.000 0.480 638 G N -0.418 108.341 108.800 -0.070 0.000 2.421 638 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.217 638 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.217 638 G C 0.247 174.978 174.900 -0.282 0.000 1.143 638 G CA 0.337 45.321 45.100 -0.193 0.000 0.784 638 G HN 0.275 nan 8.290 nan 0.000 0.541 639 Y N -0.998 119.263 120.300 -0.065 0.000 2.392 639 Y HA 0.317 4.867 4.550 -0.001 0.000 0.323 639 Y C 1.774 177.585 175.900 -0.149 0.000 1.291 639 Y CA -0.807 57.195 58.100 -0.163 0.000 1.345 639 Y CB 0.955 39.359 38.460 -0.092 0.000 1.320 639 Y HN 0.087 nan 8.280 nan 0.000 0.518 640 C N -1.854 117.427 119.300 -0.031 0.000 2.791 640 C HA 0.773 5.232 4.460 -0.001 0.000 0.270 640 C C 0.763 175.766 174.990 0.021 0.000 1.257 640 C CA 0.147 59.152 59.018 -0.021 0.000 1.699 640 C CB -1.370 26.331 27.740 -0.065 0.000 1.904 640 C HN 0.934 nan 8.230 nan 0.000 0.603 641 G N -0.445 108.387 108.800 0.052 0.000 2.489 641 G HA2 0.438 4.398 3.960 -0.001 0.000 0.305 641 G HA3 0.438 4.398 3.960 -0.001 0.000 0.305 641 G C -2.196 172.736 174.900 0.054 0.000 1.311 641 G CA -0.545 44.598 45.100 0.072 0.000 0.813 641 G HN 0.050 nan 8.290 nan 0.000 0.480 642 D N 0.635 121.094 120.400 0.098 0.000 2.533 642 D HA 0.135 4.775 4.640 -0.001 0.000 0.236 642 D C 1.315 177.564 176.300 -0.085 0.000 1.137 642 D CA -0.039 53.999 54.000 0.065 0.000 0.867 642 D CB 1.540 42.466 40.800 0.209 0.000 1.170 642 D HN 0.414 nan 8.370 nan 0.000 0.474 643 E N 1.809 121.858 120.200 -0.251 0.000 2.072 643 E HA -0.186 4.163 4.350 -0.001 0.000 0.191 643 E C -0.391 176.143 176.600 -0.110 0.000 0.985 643 E CA 0.692 56.846 56.400 -0.410 0.000 0.801 643 E CB 0.089 29.452 29.700 -0.562 0.000 0.750 643 E HN 0.449 nan 8.360 nan 0.000 0.452 644 D N 0.617 121.006 120.400 -0.019 0.000 2.812 644 D HA -0.221 4.418 4.640 -0.001 0.000 0.237 644 D C -0.629 175.702 176.300 0.051 0.000 1.162 644 D CA 1.029 55.076 54.000 0.078 0.000 0.740 644 D CB -1.916 38.986 40.800 0.170 0.000 1.000 644 D HN 0.423 nan 8.370 nan 0.000 0.416 645 N N -1.028 117.650 118.700 -0.036 0.000 2.725 645 N HA -0.224 4.516 4.740 -0.001 0.000 0.249 645 N C 1.105 176.723 175.510 0.181 0.000 1.103 645 N CA 1.643 54.675 53.050 -0.030 0.000 0.707 645 N CB -1.101 37.264 38.487 -0.203 0.000 1.043 645 N HN 0.786 nan 8.380 nan 0.000 0.553 646 G N -1.319 107.570 108.800 0.149 0.000 2.238 646 G HA2 -0.382 3.577 3.960 -0.001 0.000 0.217 646 G HA3 -0.382 3.577 3.960 -0.001 0.000 0.217 646 G C 0.676 175.686 174.900 0.183 0.000 0.996 646 G CA 0.764 45.962 45.100 0.163 0.000 0.632 646 G HN 0.485 nan 8.290 nan 0.000 0.503 647 Q N 1.143 121.044 119.800 0.169 0.000 2.016 647 Q HA 0.027 4.367 4.340 -0.001 0.000 0.200 647 Q C 2.439 178.611 176.000 0.285 0.000 0.978 647 Q CA 3.122 59.044 55.803 0.199 0.000 0.833 647 Q CB -0.887 27.931 28.738 0.133 0.000 0.895 647 Q HN 0.467 nan 8.270 nan 0.000 0.427 648 T N -0.029 114.662 114.554 0.229 0.000 2.867 648 T HA -0.038 4.311 4.350 -0.001 0.000 0.268 648 T C 1.932 176.986 174.700 0.590 0.000 1.057 648 T CA 1.137 63.432 62.100 0.327 0.000 1.136 648 T CB -0.255 68.686 68.868 0.121 0.000 0.874 648 T HN 0.235 nan 8.240 nan 0.000 0.466 649 S N 1.459 117.430 115.700 0.452 0.000 2.345 649 S HA 0.030 4.500 4.470 -0.001 0.000 0.220 649 S C 2.613 177.450 174.600 0.395 0.000 1.031 649 S CA 0.913 59.405 58.200 0.486 0.000 0.996 649 S CB -0.550 62.842 63.200 0.321 0.000 0.882 649 S HN 0.578 nan 8.310 nan 0.000 0.445 650 A N 0.167 123.181 122.820 0.324 0.000 2.024 650 A HA -0.163 4.157 4.320 -0.001 0.000 0.220 650 A C 1.770 179.612 177.584 0.431 0.000 1.164 650 A CA 1.350 53.549 52.037 0.270 0.000 0.643 650 A CB -1.021 18.131 19.000 0.254 0.000 0.806 650 A HN 0.738 nan 8.150 nan 0.000 0.451 651 W N -0.885 120.664 121.300 0.415 0.000 2.338 651 W HA -0.268 4.391 4.660 -0.001 0.000 0.304 651 W C 2.009 178.759 176.519 0.385 0.000 1.212 651 W CA 2.079 59.741 57.345 0.528 0.000 1.264 651 W CB -0.351 29.425 29.460 0.528 0.000 1.142 651 W HN 0.473 nan 8.180 nan 0.000 0.512 652 Y N -0.033 120.533 120.300 0.444 0.000 2.200 652 Y HA -0.237 4.313 4.550 -0.001 0.000 0.290 652 Y C 2.333 178.211 175.900 -0.037 0.000 1.137 652 Y CA 2.509 60.641 58.100 0.053 0.000 1.163 652 Y CB -0.795 37.495 38.460 -0.283 0.000 0.988 652 Y HN -0.194 nan 8.280 nan 0.000 0.518 653 V N -0.251 119.689 119.914 0.044 0.000 2.255 653 V HA -0.335 3.784 4.120 -0.001 0.000 0.247 653 V C 2.128 178.138 176.094 -0.140 0.000 1.051 653 V CA 2.165 64.339 62.300 -0.210 0.000 1.018 653 V CB -0.943 30.642 31.823 -0.396 0.000 0.641 653 V HN 0.326 nan 8.190 nan 0.000 0.445 654 F N 0.956 120.816 119.950 -0.150 0.000 2.069 654 F HA -0.178 4.349 4.527 -0.001 0.000 0.298 654 F C 2.770 178.344 175.800 -0.377 0.000 1.113 654 F CA 2.023 59.857 58.000 -0.277 0.000 1.214 654 F CB -0.914 37.992 39.000 -0.157 0.000 0.978 654 F HN 0.037 nan 8.300 nan 0.000 0.474 655 S N -0.219 115.355 115.700 -0.210 0.000 2.382 655 S HA -0.176 4.294 4.470 -0.001 0.000 0.228 655 S C 2.285 176.705 174.600 -0.300 0.000 1.027 655 S CA 0.950 58.937 58.200 -0.356 0.000 0.991 655 S CB -0.731 61.927 63.200 -0.903 0.000 0.823 655 S HN 0.380 nan 8.310 nan 0.000 0.469 656 A N 1.316 123.937 122.820 -0.331 0.000 1.972 656 A HA 0.034 4.353 4.320 -0.001 0.000 0.219 656 A C 2.016 179.548 177.584 -0.087 0.000 1.169 656 A CA 1.022 52.917 52.037 -0.237 0.000 0.635 656 A CB -0.595 18.354 19.000 -0.085 0.000 0.810 656 A HN 0.479 nan 8.150 nan 0.000 0.446 657 L N -1.872 119.272 121.223 -0.130 0.000 2.291 657 L HA 0.126 4.465 4.340 -0.001 0.000 0.214 657 L C 1.795 178.531 176.870 -0.223 0.000 1.120 657 L CA 0.804 55.515 54.840 -0.215 0.000 0.799 657 L CB -0.249 41.548 42.059 -0.436 0.000 0.925 657 L HN 0.594 nan 8.230 nan 0.000 0.446 658 G N -0.247 108.419 108.800 -0.223 0.000 2.175 658 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.182 658 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.182 658 G C -0.032 175.008 174.900 0.233 0.000 1.003 658 G CA -0.115 45.000 45.100 0.026 0.000 0.666 658 G HN 0.282 nan 8.290 nan 0.000 0.506 659 F N -1.965 118.104 119.950 0.199 0.000 2.686 659 F HA 0.856 5.382 4.527 -0.001 0.000 0.311 659 F C -1.036 174.819 175.800 0.093 0.000 1.128 659 F CA -2.599 55.522 58.000 0.200 0.000 0.946 659 F CB 1.230 40.338 39.000 0.179 0.000 1.336 659 F HN 0.214 nan 8.300 nan 0.000 0.457 660 Y N 1.479 121.720 120.300 -0.098 0.000 2.482 660 Y HA 0.526 5.075 4.550 -0.001 0.000 0.334 660 Y C -2.877 172.770 175.900 -0.422 0.000 1.091 660 Y CA -2.336 55.391 58.100 -0.622 0.000 1.027 660 Y CB 3.161 40.847 38.460 -1.291 0.000 1.306 660 Y HN 0.460 nan 8.280 nan 0.000 0.446 661 P HA 0.071 nan 4.420 nan 0.000 0.244 661 P C 0.600 177.663 177.300 -0.395 0.000 1.769 661 P CA 0.316 63.069 63.100 -0.578 0.000 1.102 661 P CB 0.632 31.972 31.700 -0.601 0.000 1.937 662 V N 1.308 121.218 119.914 -0.006 0.000 2.278 662 V HA -0.225 3.895 4.120 -0.001 0.000 0.251 662 V C 1.455 177.612 176.094 0.105 0.000 1.062 662 V CA 1.871 64.321 62.300 0.250 0.000 1.038 662 V CB -0.400 31.660 31.823 0.395 0.000 0.646 662 V HN 0.550 nan 8.190 nan 0.000 0.447 663 C N 1.945 121.262 119.300 0.029 0.000 2.647 663 C HA 0.517 4.976 4.460 -0.001 0.000 0.273 663 C C -2.627 172.367 174.990 0.007 0.000 1.088 663 C CA -2.285 56.737 59.018 0.007 0.000 1.529 663 C CB -0.210 27.544 27.740 0.023 0.000 1.810 663 C HN 0.296 nan 8.230 nan 0.000 0.422 664 P HA 0.304 nan 4.420 nan 0.000 0.264 664 P C 0.912 178.335 177.300 0.204 0.000 1.183 664 P CA 1.967 65.106 63.100 0.065 0.000 0.763 664 P CB 0.541 32.316 31.700 0.125 0.000 0.807 665 G N 1.189 110.047 108.800 0.097 0.000 2.284 665 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.216 665 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.216 665 G C 0.416 175.394 174.900 0.129 0.000 1.009 665 G CA 0.250 45.439 45.100 0.149 0.000 0.625 665 G HN 0.822 nan 8.290 nan 0.000 0.501 666 T N -0.554 114.070 114.554 0.116 0.000 2.862 666 T HA 0.512 4.862 4.350 -0.001 0.000 0.276 666 T C 0.726 175.334 174.700 -0.153 0.000 0.974 666 T CA 0.640 62.716 62.100 -0.040 0.000 0.966 666 T CB 1.630 70.437 68.868 -0.101 0.000 1.072 666 T HN 0.396 nan 8.240 nan 0.000 0.538 667 D N -1.156 119.152 120.400 -0.152 0.000 2.395 667 D HA 0.125 4.765 4.640 -0.001 0.000 0.226 667 D C -0.075 176.109 176.300 -0.193 0.000 1.146 667 D CA -0.350 53.545 54.000 -0.175 0.000 0.830 667 D CB -0.180 40.577 40.800 -0.073 0.000 0.958 667 D HN 0.705 nan 8.370 nan 0.000 0.501 668 E N -0.013 120.028 120.200 -0.264 0.000 2.179 668 E HA 0.352 4.701 4.350 -0.001 0.000 0.275 668 E C -1.070 175.283 176.600 -0.412 0.000 0.945 668 E CA -0.839 55.460 56.400 -0.168 0.000 0.792 668 E CB 1.460 31.128 29.700 -0.054 0.000 1.125 668 E HN 0.142 nan 8.360 nan 0.000 0.397 669 Y N 0.606 120.958 120.300 0.088 0.000 2.328 669 Y HA 0.273 4.822 4.550 -0.001 0.000 0.336 669 Y C -0.048 175.945 175.900 0.154 0.000 0.960 669 Y CA -1.021 57.118 58.100 0.065 0.000 1.134 669 Y CB 1.219 39.720 38.460 0.069 0.000 1.166 669 Y HN 0.208 nan 8.280 nan 0.000 0.464 670 V N 4.910 124.979 119.914 0.258 0.000 2.583 670 V HA 0.108 4.227 4.120 -0.001 0.000 0.287 670 V C 0.311 176.646 176.094 0.401 0.000 1.051 670 V CA -0.622 61.854 62.300 0.292 0.000 1.010 670 V CB 1.002 32.992 31.823 0.279 0.000 0.988 670 V HN 0.738 nan 8.190 nan 0.000 0.478 671 M N 4.564 124.405 119.600 0.401 0.000 2.228 671 M HA 0.487 4.967 4.480 -0.001 0.000 0.351 671 M C 0.650 177.230 176.300 0.466 0.000 1.233 671 M CA 0.776 56.324 55.300 0.414 0.000 1.129 671 M CB 0.842 33.623 32.600 0.302 0.000 1.604 671 M HN 0.783 nan 8.290 nan 0.000 0.457 672 G N 1.299 110.364 108.800 0.442 0.000 3.110 672 G HA2 0.486 4.446 3.960 -0.001 0.000 0.207 672 G HA3 0.486 4.446 3.960 -0.001 0.000 0.207 672 G C -0.927 174.061 174.900 0.148 0.000 1.841 672 G CA -0.049 45.205 45.100 0.256 0.000 0.751 672 G HN 0.641 nan 8.290 nan 0.000 0.771 673 T N 1.806 116.406 114.554 0.077 0.000 3.032 673 T HA 0.590 4.940 4.350 -0.001 0.000 0.312 673 T C -3.047 171.649 174.700 -0.007 0.000 1.078 673 T CA -1.036 61.093 62.100 0.050 0.000 1.028 673 T CB 2.197 71.087 68.868 0.036 0.000 1.091 673 T HN 0.225 nan 8.240 nan 0.000 0.457 674 P HA 0.251 nan 4.420 nan 0.000 0.275 674 P C 0.351 177.589 177.300 -0.104 0.000 1.228 674 P CA -0.541 62.539 63.100 -0.034 0.000 0.786 674 P CB 1.303 33.012 31.700 0.016 0.000 0.927 675 L N 2.192 123.298 121.223 -0.196 0.000 2.253 675 L HA 0.293 4.633 4.340 -0.001 0.000 0.205 675 L C 0.611 177.186 176.870 -0.491 0.000 1.078 675 L CA 1.157 55.748 54.840 -0.416 0.000 0.805 675 L CB -0.397 41.265 42.059 -0.660 0.000 0.963 675 L HN 0.173 nan 8.230 nan 0.000 0.459 676 F N -0.533 119.341 119.950 -0.126 0.000 2.408 676 F HA 0.329 4.855 4.527 -0.001 0.000 0.325 676 F C 1.618 177.379 175.800 -0.064 0.000 1.082 676 F CA -0.526 57.412 58.000 -0.102 0.000 1.032 676 F CB 0.627 39.549 39.000 -0.131 0.000 1.259 676 F HN -0.315 nan 8.300 nan 0.000 0.503 677 K N 0.080 120.582 120.400 0.170 0.000 2.167 677 K HA -0.008 4.311 4.320 -0.001 0.000 0.203 677 K C 0.222 176.866 176.600 0.073 0.000 1.052 677 K CA 1.031 57.371 56.287 0.089 0.000 0.956 677 K CB 0.226 32.772 32.500 0.077 0.000 0.735 677 K HN 0.383 nan 8.250 nan 0.000 0.451 678 K N -0.020 120.431 120.400 0.085 0.000 2.501 678 K HA 0.464 4.784 4.320 -0.001 0.000 0.252 678 K C -2.057 174.525 176.600 -0.030 0.000 0.934 678 K CA -0.514 55.788 56.287 0.025 0.000 0.797 678 K CB 2.167 34.675 32.500 0.015 0.000 1.270 678 K HN -0.007 nan 8.250 nan 0.000 0.431 679 A N 2.134 124.916 122.820 -0.063 0.000 2.393 679 A HA 0.668 4.987 4.320 -0.001 0.000 0.306 679 A C -1.209 176.290 177.584 -0.141 0.000 1.050 679 A CA -0.610 51.342 52.037 -0.142 0.000 0.724 679 A CB 1.874 20.790 19.000 -0.139 0.000 1.248 679 A HN 0.554 nan 8.150 nan 0.000 0.424 680 T N 2.942 117.379 114.554 -0.196 0.000 2.840 680 T HA 0.547 4.896 4.350 -0.001 0.000 0.287 680 T C -0.590 173.848 174.700 -0.435 0.000 0.991 680 T CA -0.211 61.716 62.100 -0.287 0.000 0.964 680 T CB 0.613 69.323 68.868 -0.263 0.000 0.954 680 T HN 0.477 nan 8.240 nan 0.000 0.438 681 L N 4.177 125.081 121.223 -0.531 0.000 2.282 681 L HA 0.488 4.828 4.340 -0.001 0.000 0.288 681 L C 0.045 176.309 176.870 -1.010 0.000 1.033 681 L CA -1.000 53.422 54.840 -0.696 0.000 0.807 681 L CB 0.733 42.376 42.059 -0.692 0.000 1.209 681 L HN 0.565 nan 8.230 nan 0.000 0.423 682 H N 4.000 122.733 119.070 -0.561 0.000 2.581 682 H HA 0.341 4.897 4.556 -0.001 0.000 0.308 682 H C -0.596 174.446 175.328 -0.477 0.000 1.040 682 H CA -0.463 55.316 56.048 -0.447 0.000 1.231 682 H CB 0.868 30.495 29.762 -0.224 0.000 1.396 682 H HN 0.302 nan 8.280 nan 0.000 0.467 683 F N 0.801 120.704 119.950 -0.078 0.000 2.370 683 F HA 0.104 4.631 4.527 -0.001 0.000 0.324 683 F C 1.962 177.652 175.800 -0.183 0.000 1.116 683 F CA -0.593 57.283 58.000 -0.207 0.000 1.123 683 F CB 0.851 39.596 39.000 -0.425 0.000 1.238 683 F HN 0.482 nan 8.300 nan 0.000 0.536 684 E N 0.556 120.758 120.200 0.004 0.000 2.204 684 E HA -0.233 4.117 4.350 -0.001 0.000 0.195 684 E C 1.526 178.095 176.600 -0.052 0.000 0.990 684 E CA 1.243 57.634 56.400 -0.015 0.000 0.821 684 E CB -0.233 29.470 29.700 0.005 0.000 0.750 684 E HN 0.579 nan 8.360 nan 0.000 0.477 685 N N 0.105 118.720 118.700 -0.143 0.000 2.609 685 N HA -0.071 4.668 4.740 -0.001 0.000 0.190 685 N C 1.215 176.693 175.510 -0.053 0.000 1.157 685 N CA 1.181 54.149 53.050 -0.136 0.000 0.918 685 N CB 0.149 38.472 38.487 -0.273 0.000 0.978 685 N HN 0.197 nan 8.380 nan 0.000 0.448 686 G N -1.184 107.611 108.800 -0.009 0.000 2.175 686 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.244 686 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.244 686 G C -0.293 174.639 174.900 0.054 0.000 0.982 686 G CA 0.039 45.151 45.100 0.022 0.000 0.641 686 G HN 0.499 nan 8.290 nan 0.000 0.527 687 N N 0.575 119.322 118.700 0.079 0.000 2.493 687 N HA 0.670 5.409 4.740 -0.001 0.000 0.275 687 N C -0.234 175.379 175.510 0.171 0.000 1.186 687 N CA 0.151 53.279 53.050 0.131 0.000 0.978 687 N CB 1.505 40.072 38.487 0.133 0.000 1.184 687 N HN 0.194 nan 8.380 nan 0.000 0.487 688 S N 0.525 116.289 115.700 0.106 0.000 2.536 688 S HA 0.536 5.005 4.470 -0.001 0.000 0.298 688 S C -0.904 173.700 174.600 0.006 0.000 1.083 688 S CA -0.744 57.424 58.200 -0.054 0.000 0.995 688 S CB 1.508 64.661 63.200 -0.078 0.000 1.058 688 S HN 0.321 nan 8.310 nan 0.000 0.488 689 L N 3.278 124.432 121.223 -0.116 0.000 2.376 689 L HA 0.609 4.948 4.340 -0.001 0.000 0.275 689 L C -1.497 175.301 176.870 -0.119 0.000 0.987 689 L CA -0.616 54.217 54.840 -0.012 0.000 0.828 689 L CB 1.564 43.714 42.059 0.153 0.000 1.249 689 L HN 0.446 nan 8.230 nan 0.000 0.409 690 V N 6.207 126.076 119.914 -0.075 0.000 2.370 690 V HA 0.390 4.510 4.120 -0.001 0.000 0.279 690 V C 0.321 176.370 176.094 -0.074 0.000 1.029 690 V CA -0.409 61.842 62.300 -0.081 0.000 0.870 690 V CB 1.717 33.511 31.823 -0.049 0.000 0.984 690 V HN 0.535 nan 8.190 nan 0.000 0.451 691 I N 4.121 124.652 120.570 -0.064 0.000 2.291 691 I HA 0.320 4.490 4.170 -0.001 0.000 0.290 691 I C -0.289 175.813 176.117 -0.025 0.000 1.050 691 I CA -0.067 61.206 61.300 -0.046 0.000 1.245 691 I CB 0.937 38.937 38.000 0.001 0.000 1.405 691 I HN 0.472 nan 8.210 nan 0.000 0.478 692 D N 6.426 126.811 120.400 -0.025 0.000 2.412 692 D HA 0.507 5.146 4.640 -0.001 0.000 0.224 692 D C -0.321 175.981 176.300 0.004 0.000 1.093 692 D CA -0.149 53.847 54.000 -0.006 0.000 0.850 692 D CB 1.556 42.352 40.800 -0.007 0.000 1.046 692 D HN 0.583 nan 8.370 nan 0.000 0.507 693 A N 5.240 128.069 122.820 0.016 0.000 3.204 693 A HA 0.366 4.685 4.320 -0.001 0.000 0.327 693 A C -1.717 175.879 177.584 0.020 0.000 0.998 693 A CA -0.904 51.144 52.037 0.019 0.000 0.891 693 A CB 0.796 19.810 19.000 0.022 0.000 1.061 693 A HN 0.332 nan 8.150 nan 0.000 0.478 694 P HA -0.150 nan 4.420 nan 0.000 0.220 694 P C 0.704 178.012 177.300 0.014 0.000 1.148 694 P CA 1.184 64.295 63.100 0.019 0.000 0.803 694 P CB 0.248 31.957 31.700 0.016 0.000 0.782 695 N N -0.563 118.142 118.700 0.008 0.000 2.322 695 N HA -0.009 4.730 4.740 -0.001 0.000 0.194 695 N C 0.351 175.859 175.510 -0.003 0.000 1.126 695 N CA -0.190 52.861 53.050 0.002 0.000 0.845 695 N CB -0.870 37.616 38.487 -0.002 0.000 0.976 695 N HN -0.094 nan 8.380 nan 0.000 0.475 696 N N 0.424 119.124 118.700 -0.001 0.000 2.458 696 N HA 0.010 4.750 4.740 -0.001 0.000 0.258 696 N C -0.560 174.939 175.510 -0.019 0.000 1.219 696 N CA 0.411 53.455 53.050 -0.011 0.000 0.902 696 N CB 0.505 38.984 38.487 -0.013 0.000 1.076 696 N HN 0.355 nan 8.380 nan 0.000 0.455 697 S N 0.171 115.856 115.700 -0.024 0.000 2.703 697 S HA 0.291 4.760 4.470 -0.001 0.000 0.273 697 S C 0.883 175.473 174.600 -0.017 0.000 1.178 697 S CA -0.464 57.720 58.200 -0.026 0.000 0.838 697 S CB 0.375 63.566 63.200 -0.016 0.000 1.178 697 S HN 0.365 nan 8.310 nan 0.000 0.494 698 T N 1.413 115.955 114.554 -0.020 0.000 2.759 698 T HA -0.065 4.285 4.350 -0.001 0.000 0.269 698 T C 1.196 175.949 174.700 0.088 0.000 1.042 698 T CA 2.337 64.434 62.100 -0.006 0.000 1.140 698 T CB -0.515 68.340 68.868 -0.023 0.000 0.864 698 T HN 0.690 nan 8.240 nan 0.000 0.455 699 E N 0.871 121.114 120.200 0.071 0.000 2.190 699 E HA 0.095 4.445 4.350 -0.001 0.000 0.191 699 E C 0.503 177.076 176.600 -0.045 0.000 0.978 699 E CA 0.267 56.715 56.400 0.080 0.000 0.839 699 E CB 0.056 29.767 29.700 0.019 0.000 0.787 699 E HN 0.259 nan 8.360 nan 0.000 0.473 700 N N 1.180 119.853 118.700 -0.044 0.000 3.188 700 N HA 0.077 4.816 4.740 -0.001 0.000 0.279 700 N C -0.469 174.980 175.510 -0.102 0.000 1.213 700 N CA -0.088 52.892 53.050 -0.116 0.000 1.138 700 N CB -0.151 38.304 38.487 -0.053 0.000 1.417 700 N HN 0.198 nan 8.380 nan 0.000 0.526 701 F N -1.872 117.974 119.950 -0.174 0.000 2.678 701 F HA 0.413 4.939 4.527 -0.001 0.000 0.305 701 F C -0.199 175.432 175.800 -0.282 0.000 1.090 701 F CA -0.892 56.948 58.000 -0.266 0.000 1.272 701 F CB -0.367 38.411 39.000 -0.371 0.000 1.060 701 F HN -0.119 nan 8.300 nan 0.000 0.576 702 Y N 2.092 122.248 120.300 -0.240 0.000 2.299 702 Y HA 0.450 4.999 4.550 -0.001 0.000 0.326 702 Y C 0.483 176.369 175.900 -0.023 0.000 1.164 702 Y CA -1.502 56.547 58.100 -0.085 0.000 1.234 702 Y CB 0.702 39.058 38.460 -0.174 0.000 1.219 702 Y HN -0.111 nan 8.280 nan 0.000 0.497 703 I N 2.856 123.554 120.570 0.214 0.000 2.322 703 I HA 0.026 4.195 4.170 -0.001 0.000 0.292 703 I C 0.531 176.718 176.117 0.117 0.000 1.060 703 I CA 0.154 61.539 61.300 0.142 0.000 1.309 703 I CB 0.983 39.071 38.000 0.148 0.000 1.415 703 I HN 0.732 nan 8.210 nan 0.000 0.492 704 D N 3.944 124.384 120.400 0.067 0.000 2.162 704 D HA -0.043 4.596 4.640 -0.001 0.000 0.205 704 D C 0.403 176.726 176.300 0.038 0.000 0.964 704 D CA 0.912 54.930 54.000 0.029 0.000 0.847 704 D CB 0.515 41.316 40.800 0.001 0.000 0.988 704 D HN 0.590 nan 8.370 nan 0.000 0.480 705 S N -1.716 114.014 115.700 0.050 0.000 2.587 705 S HA 0.582 5.051 4.470 -0.001 0.000 0.269 705 S C -0.891 173.752 174.600 0.071 0.000 1.154 705 S CA -1.085 57.150 58.200 0.058 0.000 0.824 705 S CB 1.583 64.808 63.200 0.041 0.000 1.118 705 S HN 0.026 nan 8.310 nan 0.000 0.462 706 M N 2.002 121.657 119.600 0.092 0.000 2.518 706 M HA 0.619 5.098 4.480 -0.001 0.000 0.300 706 M C -1.073 175.298 176.300 0.118 0.000 1.175 706 M CA -0.493 54.866 55.300 0.099 0.000 0.890 706 M CB 2.669 35.354 32.600 0.142 0.000 1.710 706 M HN 1.033 nan 8.290 nan 0.000 0.453 707 S N 1.246 116.998 115.700 0.087 0.000 2.536 707 S HA 0.734 5.203 4.470 -0.001 0.000 0.287 707 S C -1.441 173.230 174.600 0.120 0.000 1.101 707 S CA -0.695 57.578 58.200 0.122 0.000 0.950 707 S CB 2.114 65.368 63.200 0.091 0.000 1.056 707 S HN 0.537 nan 8.310 nan 0.000 0.481 708 F N 3.322 123.265 119.950 -0.012 0.000 2.382 708 F HA 0.488 5.015 4.527 -0.001 0.000 0.361 708 F C 0.396 176.182 175.800 -0.024 0.000 1.109 708 F CA -1.400 56.559 58.000 -0.068 0.000 1.031 708 F CB 0.170 39.070 39.000 -0.166 0.000 1.234 708 F HN 0.854 nan 8.300 nan 0.000 0.445 709 N N 4.090 123.028 118.700 0.397 0.000 2.716 709 N HA -0.224 4.515 4.740 -0.001 0.000 0.250 709 N C 1.153 176.728 175.510 0.108 0.000 1.033 709 N CA 1.391 54.559 53.050 0.197 0.000 0.727 709 N CB -1.057 37.514 38.487 0.140 0.000 0.950 709 N HN 1.194 nan 8.380 nan 0.000 0.541 710 G N -2.015 106.848 108.800 0.105 0.000 2.284 710 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.230 710 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.230 710 G C 0.218 175.161 174.900 0.071 0.000 1.021 710 G CA 0.658 45.801 45.100 0.071 0.000 0.619 710 G HN 1.149 nan 8.290 nan 0.000 0.510 711 A N 0.441 123.312 122.820 0.084 0.000 2.354 711 A HA 0.568 4.887 4.320 -0.001 0.000 0.269 711 A C 0.182 177.837 177.584 0.118 0.000 1.109 711 A CA 0.537 52.622 52.037 0.079 0.000 0.800 711 A CB 0.472 19.506 19.000 0.058 0.000 1.045 711 A HN 0.449 nan 8.150 nan 0.000 0.489 712 D N 0.558 121.014 120.400 0.094 0.000 2.443 712 D HA 0.068 4.707 4.640 -0.001 0.000 0.239 712 D C -0.281 176.112 176.300 0.155 0.000 1.136 712 D CA 1.087 55.151 54.000 0.106 0.000 0.879 712 D CB 0.162 40.999 40.800 0.062 0.000 1.195 712 D HN 0.516 nan 8.370 nan 0.000 0.443 713 H N 2.373 121.476 119.070 0.055 0.000 2.991 713 H HA 0.185 4.740 4.556 -0.001 0.000 0.304 713 H C 0.031 175.379 175.328 0.033 0.000 1.040 713 H CA -0.212 55.865 56.048 0.049 0.000 1.410 713 H CB 0.782 30.599 29.762 0.092 0.000 1.529 713 H HN 0.444 nan 8.280 nan 0.000 0.509 714 T N 0.882 115.325 114.554 -0.185 0.000 3.069 714 T HA 0.227 4.576 4.350 -0.001 0.000 0.252 714 T C 0.627 175.232 174.700 -0.159 0.000 1.053 714 T CA -0.373 61.669 62.100 -0.096 0.000 0.964 714 T CB 0.560 69.406 68.868 -0.038 0.000 1.005 714 T HN 0.326 nan 8.240 nan 0.000 0.532 715 K N 1.962 122.099 120.400 -0.438 0.000 2.258 715 K HA 0.254 4.574 4.320 -0.001 0.000 0.264 715 K C 0.431 176.964 176.600 -0.112 0.000 1.007 715 K CA -0.410 55.667 56.287 -0.350 0.000 0.941 715 K CB 0.332 32.409 32.500 -0.705 0.000 0.966 715 K HN 0.008 nan 8.250 nan 0.000 0.480 716 N N 1.428 120.162 118.700 0.057 0.000 2.313 716 N HA 0.031 4.771 4.740 -0.001 0.000 0.207 716 N C -1.082 174.588 175.510 0.266 0.000 1.141 716 N CA 0.223 53.368 53.050 0.157 0.000 0.830 716 N CB 0.035 38.592 38.487 0.117 0.000 1.008 716 N HN 0.447 nan 8.380 nan 0.000 0.481 717 Y N -1.987 118.396 120.300 0.137 0.000 2.597 717 Y HA 0.658 5.208 4.550 -0.001 0.000 0.340 717 Y C -1.521 174.524 175.900 0.241 0.000 1.097 717 Y CA -1.334 56.861 58.100 0.158 0.000 1.037 717 Y CB 0.816 39.325 38.460 0.082 0.000 1.305 717 Y HN -0.279 nan 8.280 nan 0.000 0.463 718 L N 3.342 124.720 121.223 0.258 0.000 2.362 718 L HA 0.672 5.012 4.340 -0.001 0.000 0.271 718 L C -0.410 176.640 176.870 0.299 0.000 1.002 718 L CA -1.126 53.803 54.840 0.149 0.000 0.818 718 L CB 2.262 44.258 42.059 -0.104 0.000 1.298 718 L HN 0.688 nan 8.230 nan 0.000 0.420 719 R N 0.095 120.748 120.500 0.255 0.000 2.368 719 R HA 0.196 4.536 4.340 -0.001 0.000 0.302 719 R C 0.547 176.964 176.300 0.195 0.000 1.002 719 R CA -0.650 55.597 56.100 0.244 0.000 0.929 719 R CB 1.487 31.909 30.300 0.203 0.000 1.073 719 R HN 0.567 nan 8.270 nan 0.000 0.464 720 H N 2.428 121.551 119.070 0.088 0.000 2.289 720 H HA -0.197 4.359 4.556 -0.001 0.000 0.296 720 H C 0.908 176.092 175.328 -0.239 0.000 1.091 720 H CA 2.406 58.441 56.048 -0.023 0.000 1.274 720 H CB 0.496 30.176 29.762 -0.136 0.000 1.364 720 H HN 0.636 nan 8.280 nan 0.000 0.490 721 E N 0.207 120.371 120.200 -0.060 0.000 2.153 721 E HA -0.133 4.216 4.350 -0.001 0.000 0.194 721 E C 1.879 178.448 176.600 -0.053 0.000 0.988 721 E CA 1.262 57.619 56.400 -0.071 0.000 0.811 721 E CB -0.084 29.623 29.700 0.011 0.000 0.746 721 E HN 0.597 nan 8.360 nan 0.000 0.466 722 D N 0.220 120.604 120.400 -0.027 0.000 2.097 722 D HA -0.106 4.533 4.640 -0.001 0.000 0.197 722 D C 2.002 178.356 176.300 0.090 0.000 0.984 722 D CA 0.781 54.765 54.000 -0.026 0.000 0.826 722 D CB -0.218 40.561 40.800 -0.036 0.000 0.973 722 D HN 0.170 nan 8.370 nan 0.000 0.460 723 L N -0.103 121.162 121.223 0.071 0.000 2.012 723 L HA -0.177 4.163 4.340 -0.001 0.000 0.210 723 L C 2.443 179.272 176.870 -0.068 0.000 1.073 723 L CA 0.792 55.667 54.840 0.058 0.000 0.748 723 L CB -0.461 41.538 42.059 -0.102 0.000 0.891 723 L HN -0.035 nan 8.230 nan 0.000 0.431 724 F N 0.897 120.503 119.950 -0.574 0.000 2.250 724 F HA -0.203 4.324 4.527 -0.001 0.000 0.301 724 F C 2.413 178.052 175.800 -0.268 0.000 1.077 724 F CA 1.148 58.737 58.000 -0.685 0.000 1.348 724 F CB -0.632 38.034 39.000 -0.556 0.000 1.040 724 F HN 0.048 nan 8.300 nan 0.000 0.509 725 K N -0.353 120.073 120.400 0.044 0.000 2.288 725 K HA 0.190 4.509 4.320 -0.001 0.000 0.201 725 K C 1.242 177.896 176.600 0.090 0.000 1.048 725 K CA 0.624 56.937 56.287 0.044 0.000 0.956 725 K CB -0.404 32.101 32.500 0.008 0.000 0.746 725 K HN 0.360 nan 8.250 nan 0.000 0.461 726 G N -0.160 108.741 108.800 0.168 0.000 2.698 726 G HA2 0.085 4.044 3.960 -0.001 0.000 0.225 726 G HA3 0.085 4.044 3.960 -0.001 0.000 0.225 726 G C 0.198 175.221 174.900 0.206 0.000 1.345 726 G CA -0.441 44.789 45.100 0.217 0.000 0.871 726 G HN 0.623 nan 8.290 nan 0.000 0.540 727 G N -2.776 106.117 108.800 0.155 0.000 2.443 727 G HA2 0.502 4.462 3.960 -0.001 0.000 0.209 727 G HA3 0.502 4.462 3.960 -0.001 0.000 0.209 727 G C -0.155 174.806 174.900 0.102 0.000 1.176 727 G CA 0.603 45.785 45.100 0.138 0.000 1.074 727 G HN 2.366 nan 8.290 nan 0.000 0.577 728 T N 0.625 115.244 114.554 0.109 0.000 2.928 728 T HA 0.634 4.984 4.350 -0.001 0.000 0.296 728 T C -0.289 174.388 174.700 -0.039 0.000 1.000 728 T CA -0.244 61.870 62.100 0.023 0.000 0.989 728 T CB 1.557 70.444 68.868 0.031 0.000 1.005 728 T HN 0.640 nan 8.240 nan 0.000 0.442 729 I N 2.810 123.271 120.570 -0.182 0.000 2.354 729 I HA 0.432 4.601 4.170 -0.001 0.000 0.292 729 I C 0.175 176.221 176.117 -0.119 0.000 0.989 729 I CA -0.711 60.421 61.300 -0.280 0.000 1.188 729 I CB 1.493 39.183 38.000 -0.516 0.000 1.342 729 I HN 0.315 nan 8.210 nan 0.000 0.457 730 K N 5.960 126.323 120.400 -0.062 0.000 2.213 730 K HA 0.652 4.971 4.320 -0.001 0.000 0.270 730 K C -1.436 175.161 176.600 -0.006 0.000 1.002 730 K CA -0.514 55.763 56.287 -0.017 0.000 0.868 730 K CB 1.385 33.891 32.500 0.010 0.000 1.093 730 K HN 0.397 nan 8.250 nan 0.000 0.454 731 V N 3.749 123.665 119.914 0.004 0.000 2.443 731 V HA 0.186 4.306 4.120 -0.001 0.000 0.293 731 V C -1.054 175.055 176.094 0.025 0.000 1.021 731 V CA -1.076 61.238 62.300 0.022 0.000 0.848 731 V CB 1.514 33.355 31.823 0.028 0.000 0.998 731 V HN 0.772 nan 8.190 nan 0.000 0.424 732 D N 5.713 126.131 120.400 0.030 0.000 2.339 732 D HA 0.419 5.059 4.640 -0.001 0.000 0.241 732 D C 0.036 176.351 176.300 0.025 0.000 1.183 732 D CA -0.135 53.879 54.000 0.023 0.000 0.859 732 D CB 1.014 41.825 40.800 0.019 0.000 1.067 732 D HN 0.236 nan 8.370 nan 0.000 0.484 733 M N 1.073 120.683 119.600 0.016 0.000 2.314 733 M HA 0.376 4.856 4.480 -0.001 0.000 0.342 733 M C 0.376 176.673 176.300 -0.006 0.000 1.171 733 M CA -0.464 54.842 55.300 0.011 0.000 1.098 733 M CB 1.269 33.870 32.600 0.002 0.000 1.559 733 M HN 0.177 nan 8.290 nan 0.000 0.459 734 S N 1.010 116.704 115.700 -0.009 0.000 2.588 734 S HA 0.464 4.933 4.470 -0.001 0.000 0.275 734 S C 0.466 175.034 174.600 -0.054 0.000 1.130 734 S CA -0.699 57.484 58.200 -0.029 0.000 0.855 734 S CB 1.098 64.280 63.200 -0.031 0.000 1.116 734 S HN 0.755 nan 8.310 nan 0.000 0.472 735 N N 1.632 120.286 118.700 -0.076 0.000 2.467 735 N HA 0.043 4.783 4.740 -0.001 0.000 0.184 735 N C 0.119 175.604 175.510 -0.042 0.000 1.106 735 N CA 0.122 53.107 53.050 -0.110 0.000 0.892 735 N CB -0.433 38.002 38.487 -0.087 0.000 0.969 735 N HN 0.629 nan 8.380 nan 0.000 0.454 736 R N -0.456 119.976 120.500 -0.113 0.000 2.740 736 R HA 0.671 5.011 4.340 -0.001 0.000 0.282 736 R C -3.026 172.884 176.300 -0.649 0.000 0.969 736 R CA -1.924 53.970 56.100 -0.343 0.000 0.918 736 R CB 0.710 30.859 30.300 -0.253 0.000 1.175 736 R HN -0.127 nan 8.270 nan 0.000 0.464 737 P HA 0.055 nan 4.420 nan 0.000 0.275 737 P C -0.986 175.958 177.300 -0.594 0.000 1.228 737 P CA -0.371 62.082 63.100 -1.079 0.000 0.786 737 P CB 0.641 31.613 31.700 -1.212 0.000 0.927 738 N N 2.712 121.189 118.700 -0.372 0.000 2.469 738 N HA 0.071 4.810 4.740 -0.001 0.000 0.239 738 N C 0.620 175.893 175.510 -0.395 0.000 1.053 738 N CA -0.259 52.624 53.050 -0.279 0.000 0.937 738 N CB 0.013 38.441 38.487 -0.098 0.000 1.163 738 N HN 0.127 nan 8.380 nan 0.000 0.509 739 L N 3.092 123.961 121.223 -0.590 0.000 2.465 739 L HA 0.101 4.440 4.340 -0.001 0.000 0.224 739 L C 1.500 178.197 176.870 -0.289 0.000 1.145 739 L CA 0.760 55.101 54.840 -0.832 0.000 0.834 739 L CB -0.482 41.153 42.059 -0.706 0.000 0.944 739 L HN 0.544 nan 8.230 nan 0.000 0.451 740 N N -0.978 117.643 118.700 -0.132 0.000 2.282 740 N HA 0.037 4.776 4.740 -0.001 0.000 0.185 740 N C 0.761 176.305 175.510 0.057 0.000 1.099 740 N CA 0.023 53.065 53.050 -0.014 0.000 0.878 740 N CB 0.767 39.231 38.487 -0.038 0.000 0.993 740 N HN 0.231 nan 8.380 nan 0.000 0.481 741 R N 0.549 121.098 120.500 0.081 0.000 2.308 741 R HA 0.311 4.651 4.340 -0.001 0.000 0.305 741 R C 0.390 176.802 176.300 0.186 0.000 1.053 741 R CA 0.494 56.661 56.100 0.112 0.000 0.957 741 R CB 0.385 30.743 30.300 0.097 0.000 1.022 741 R HN 0.221 nan 8.270 nan 0.000 0.461 742 G N 2.576 111.454 108.800 0.130 0.000 2.149 742 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.235 742 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.235 742 G C 0.460 175.437 174.900 0.127 0.000 1.018 742 G CA 0.585 45.758 45.100 0.121 0.000 0.728 742 G HN 0.728 nan 8.290 nan 0.000 0.508 743 T N -3.024 111.610 114.554 0.133 0.000 3.010 743 T HA 0.427 4.777 4.350 -0.001 0.000 0.257 743 T C 0.942 175.694 174.700 0.085 0.000 1.020 743 T CA 0.533 62.711 62.100 0.130 0.000 0.938 743 T CB 0.696 69.671 68.868 0.179 0.000 1.049 743 T HN 0.397 nan 8.240 nan 0.000 0.522 744 K N 1.850 122.291 120.400 0.068 0.000 2.202 744 K HA 0.248 4.567 4.320 -0.001 0.000 0.264 744 K C 1.377 178.005 176.600 0.047 0.000 1.010 744 K CA -0.471 55.846 56.287 0.050 0.000 0.940 744 K CB 0.820 33.343 32.500 0.039 0.000 0.983 744 K HN -0.079 nan 8.250 nan 0.000 0.475 745 E N 2.576 122.800 120.200 0.039 0.000 2.097 745 E HA -0.255 4.095 4.350 -0.001 0.000 0.196 745 E C 1.094 177.722 176.600 0.046 0.000 1.000 745 E CA 1.603 58.024 56.400 0.034 0.000 0.804 745 E CB 0.261 29.976 29.700 0.025 0.000 0.740 745 E HN 0.690 nan 8.360 nan 0.000 0.454 746 E N 0.040 120.271 120.200 0.051 0.000 2.418 746 E HA -0.146 4.204 4.350 -0.001 0.000 0.197 746 E C 0.900 177.562 176.600 0.104 0.000 1.026 746 E CA 0.668 57.112 56.400 0.074 0.000 0.862 746 E CB -0.158 29.575 29.700 0.055 0.000 0.799 746 E HN 0.184 nan 8.360 nan 0.000 0.518 747 D N 0.422 120.868 120.400 0.076 0.000 2.347 747 D HA 0.021 4.661 4.640 -0.001 0.000 0.215 747 D C 0.491 176.884 176.300 0.155 0.000 0.976 747 D CA 0.473 54.518 54.000 0.076 0.000 0.884 747 D CB 0.099 40.924 40.800 0.042 0.000 0.915 747 D HN 0.165 nan 8.370 nan 0.000 0.526 748 M N 1.302 120.973 119.600 0.117 0.000 2.235 748 M HA 0.270 4.749 4.480 -0.001 0.000 0.351 748 M C -2.070 174.198 176.300 -0.053 0.000 1.178 748 M CA -2.229 53.084 55.300 0.022 0.000 1.143 748 M CB 0.318 32.916 32.600 -0.003 0.000 1.530 748 M HN -0.267 nan 8.290 nan 0.000 0.461 749 P HA 0.119 nan 4.420 nan 0.000 0.277 749 P C -0.911 176.293 177.300 -0.161 0.000 1.276 749 P CA -0.439 62.378 63.100 -0.471 0.000 0.788 749 P CB 0.268 31.643 31.700 -0.541 0.000 1.114 750 Y N 0.231 120.426 120.300 -0.175 0.000 2.526 750 Y HA 0.221 4.770 4.550 -0.001 0.000 0.330 750 Y C -0.283 175.701 175.900 0.140 0.000 1.156 750 Y CA 1.005 59.107 58.100 0.003 0.000 1.419 750 Y CB 0.175 38.651 38.460 0.026 0.000 1.250 750 Y HN 0.158 nan 8.280 nan 0.000 0.540 751 S N 7.098 122.493 115.700 -0.510 0.000 2.521 751 S HA 0.175 4.645 4.470 -0.001 0.000 0.295 751 S C 0.087 174.263 174.600 -0.707 0.000 1.098 751 S CA -0.796 57.131 58.200 -0.455 0.000 0.999 751 S CB 1.011 64.084 63.200 -0.210 0.000 1.034 751 S HN 0.777 nan 8.310 nan 0.000 0.483 752 F N 3.068 122.729 119.950 -0.482 0.000 2.216 752 F HA -0.091 4.436 4.527 -0.001 0.000 0.300 752 F C 2.175 177.934 175.800 -0.070 0.000 1.085 752 F CA 1.563 59.513 58.000 -0.085 0.000 1.326 752 F CB -0.486 38.679 39.000 0.275 0.000 1.027 752 F HN 0.555 nan 8.300 nan 0.000 0.497 753 S N 0.221 115.800 115.700 -0.202 0.000 2.368 753 S HA -0.181 4.288 4.470 -0.001 0.000 0.225 753 S C 1.888 176.352 174.600 -0.226 0.000 1.030 753 S CA 1.379 59.432 58.200 -0.244 0.000 0.999 753 S CB -0.235 62.879 63.200 -0.142 0.000 0.844 753 S HN 0.423 nan 8.310 nan 0.000 0.459 754 K N 0.891 121.169 120.400 -0.204 0.000 2.283 754 K HA 0.045 4.365 4.320 -0.001 0.000 0.202 754 K C 1.203 177.730 176.600 -0.122 0.000 1.048 754 K CA 0.528 56.725 56.287 -0.150 0.000 0.948 754 K CB 0.096 32.515 32.500 -0.135 0.000 0.742 754 K HN 0.433 nan 8.250 nan 0.000 0.458 755 E N 0.000 120.112 120.200 -0.146 0.000 2.725 755 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 755 E CA 0.000 56.389 56.400 -0.018 0.000 0.976 755 E CB 0.000 29.831 29.700 0.218 0.000 0.812 755 E HN 0.000 nan 8.360 nan 0.000 0.440