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_A 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 0.000 176.033 176.600 -0.944 0.000 0.988 20 K CA 0.000 55.927 56.287 -0.599 0.000 0.838 20 K CB 0.000 32.238 32.500 -0.437 0.000 1.064 21 D N 0.997 120.866 120.400 -0.884 0.000 2.256 21 D HA 0.340 4.980 4.640 -0.000 0.000 0.240 21 D C 0.470 176.235 176.300 -0.893 0.000 1.062 21 D CA -0.379 53.195 54.000 -0.710 0.000 0.832 21 D CB 0.672 41.220 40.800 -0.420 0.000 1.135 21 D HN 0.339 nan 8.370 nan 0.000 0.484 22 W N 2.324 123.486 121.300 -0.229 0.000 3.058 22 W HA 0.016 4.676 4.660 -0.000 0.000 0.306 22 W C 1.853 178.217 176.519 -0.259 0.000 1.188 22 W CA 0.422 57.557 57.345 -0.350 0.000 1.651 22 W CB -0.237 28.920 29.460 -0.505 0.000 1.051 22 W HN 0.539 nan 8.180 nan 0.000 0.592 23 T N -0.548 114.022 114.554 0.027 0.000 2.833 23 T HA -0.298 4.052 4.350 -0.000 0.000 0.269 23 T C 1.770 176.430 174.700 -0.067 0.000 1.054 23 T CA 1.690 63.815 62.100 0.043 0.000 1.135 23 T CB -0.481 68.499 68.868 0.187 0.000 0.869 23 T HN 0.350 nan 8.240 nan 0.000 0.466 24 Q N 0.142 119.810 119.800 -0.220 0.000 2.268 24 Q HA -0.222 4.118 4.340 -0.000 0.000 0.210 24 Q C 1.506 177.365 176.000 -0.235 0.000 0.988 24 Q CA 1.724 57.343 55.803 -0.306 0.000 0.883 24 Q CB -0.879 27.546 28.738 -0.522 0.000 0.911 24 Q HN 0.645 nan 8.270 nan 0.000 0.430 25 Y N 0.552 120.866 120.300 0.023 0.000 2.523 25 Y HA 0.229 4.779 4.550 -0.000 0.000 0.279 25 Y C 0.650 176.616 175.900 0.111 0.000 1.139 25 Y CA -0.614 57.557 58.100 0.119 0.000 1.296 25 Y CB 0.551 39.161 38.460 0.250 0.000 1.045 25 Y HN -0.111 nan 8.280 nan 0.000 0.538 26 V N 2.340 122.326 119.914 0.121 0.000 2.427 26 V HA 0.053 4.173 4.120 -0.000 0.000 0.268 26 V C -0.041 175.973 176.094 -0.134 0.000 1.046 26 V CA -0.531 61.743 62.300 -0.043 0.000 0.970 26 V CB 0.512 32.150 31.823 -0.308 0.000 1.001 26 V HN 0.219 nan 8.190 nan 0.000 0.476 27 N N 7.510 126.169 118.700 -0.070 0.000 2.609 27 N HA 0.373 5.113 4.740 -0.000 0.000 0.234 27 N C -1.842 173.618 175.510 -0.082 0.000 1.001 27 N CA -2.235 50.777 53.050 -0.063 0.000 0.926 27 N CB 1.853 40.345 38.487 0.008 0.000 1.130 27 N HN 0.218 nan 8.380 nan 0.000 0.510 28 P HA -0.019 nan 4.420 nan 0.000 0.228 28 P C 0.812 178.135 177.300 0.038 0.000 1.151 28 P CA 0.890 63.927 63.100 -0.105 0.000 0.770 28 P CB 0.297 31.873 31.700 -0.208 0.000 0.786 29 L N -2.381 118.877 121.223 0.058 0.000 2.558 29 L HA 0.164 4.504 4.340 -0.000 0.000 0.225 29 L C 1.377 178.317 176.870 0.116 0.000 1.128 29 L CA -0.156 54.766 54.840 0.135 0.000 0.868 29 L CB -0.568 41.618 42.059 0.211 0.000 1.006 29 L HN 0.080 nan 8.230 nan 0.000 0.454 30 M N 1.044 120.700 119.600 0.094 0.000 2.303 30 M HA 0.191 4.671 4.480 -0.000 0.000 0.350 30 M C 1.052 177.485 176.300 0.222 0.000 1.518 30 M CA 1.220 56.574 55.300 0.091 0.000 1.070 30 M CB 0.218 32.849 32.600 0.051 0.000 1.910 30 M HN 0.268 nan 8.290 nan 0.000 0.458 31 G N 2.195 111.121 108.800 0.210 0.000 2.176 31 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.232 31 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.232 31 G C 0.623 175.650 174.900 0.212 0.000 0.986 31 G CA 0.580 45.850 45.100 0.283 0.000 0.643 31 G HN 0.922 nan 8.290 nan 0.000 0.522 32 S N -0.815 115.021 115.700 0.226 0.000 2.496 32 S HA 0.170 4.640 4.470 -0.000 0.000 0.224 32 S C 1.190 175.973 174.600 0.304 0.000 0.996 32 S CA 1.211 59.611 58.200 0.333 0.000 0.927 32 S CB 0.157 63.683 63.200 0.545 0.000 0.774 32 S HN 0.557 nan 8.310 nan 0.000 0.524 33 Q N 1.832 121.745 119.800 0.189 0.000 3.247 33 Q HA 0.382 4.722 4.340 -0.000 0.000 0.326 33 Q C -1.024 175.062 176.000 0.143 0.000 1.402 33 Q CA -0.285 55.612 55.803 0.157 0.000 0.994 33 Q CB -0.109 28.645 28.738 0.027 0.000 1.647 33 Q HN 0.372 nan 8.270 nan 0.000 0.523 34 S N -0.008 115.808 115.700 0.194 0.000 2.566 34 S HA 0.641 5.111 4.470 -0.000 0.000 0.298 34 S C -0.436 174.283 174.600 0.199 0.000 1.083 34 S CA -0.663 57.657 58.200 0.200 0.000 0.978 34 S CB 1.880 65.226 63.200 0.244 0.000 1.073 34 S HN 0.564 nan 8.310 nan 0.000 0.491 35 T N -1.043 113.594 114.554 0.138 0.000 2.907 35 T HA 0.527 4.877 4.350 -0.000 0.000 0.290 35 T C 0.720 175.453 174.700 0.055 0.000 1.066 35 T CA -0.762 61.348 62.100 0.017 0.000 1.012 35 T CB 0.564 69.426 68.868 -0.010 0.000 1.184 35 T HN 0.353 nan 8.240 nan 0.000 0.522 36 F N 1.674 121.435 119.950 -0.315 0.000 2.115 36 F HA -0.147 4.380 4.527 0.000 0.000 0.300 36 F C 1.971 177.825 175.800 0.090 0.000 1.092 36 F CA 2.075 59.993 58.000 -0.136 0.000 1.245 36 F CB -0.219 38.596 39.000 -0.309 0.000 0.995 36 F HN 0.691 nan 8.300 nan 0.000 0.481 37 E N -0.230 120.048 120.200 0.130 0.000 2.230 37 E HA 0.124 4.474 4.350 -0.000 0.000 0.192 37 E C -0.292 176.341 176.600 0.055 0.000 0.987 37 E CA 0.624 57.072 56.400 0.080 0.000 0.841 37 E CB 0.158 29.929 29.700 0.117 0.000 0.783 37 E HN 0.299 nan 8.360 nan 0.000 0.481 38 L N -0.056 121.207 121.223 0.067 0.000 2.611 38 L HA 0.324 4.664 4.340 -0.000 0.000 0.263 38 L C -1.048 175.875 176.870 0.088 0.000 0.969 38 L CA -0.332 54.554 54.840 0.077 0.000 0.894 38 L CB 1.910 43.998 42.059 0.049 0.000 1.229 38 L HN -0.161 nan 8.230 nan 0.000 0.416 39 S N 1.435 117.201 115.700 0.110 0.000 2.545 39 S HA 0.469 4.939 4.470 -0.000 0.000 0.275 39 S C 0.939 175.606 174.600 0.113 0.000 1.299 39 S CA 0.309 58.574 58.200 0.109 0.000 1.048 39 S CB 0.755 64.015 63.200 0.100 0.000 0.938 39 S HN 0.766 nan 8.310 nan 0.000 0.496 40 T N 1.166 115.793 114.554 0.121 0.000 3.174 40 T HA 0.537 4.887 4.350 -0.000 0.000 0.269 40 T C 1.038 175.866 174.700 0.212 0.000 1.017 40 T CA 0.281 62.460 62.100 0.133 0.000 0.899 40 T CB 0.259 69.185 68.868 0.097 0.000 1.077 40 T HN 1.015 nan 8.240 nan 0.000 0.552 41 G N 1.370 110.255 108.800 0.143 0.000 3.685 41 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.215 41 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.215 41 G C 0.097 174.984 174.900 -0.022 0.000 0.987 41 G CA -0.189 44.929 45.100 0.031 0.000 0.884 41 G HN 0.309 nan 8.290 nan 0.000 0.406 42 N N 1.617 120.347 118.700 0.049 0.000 2.714 42 N HA -0.145 4.595 4.740 -0.000 0.000 0.253 42 N C 0.355 175.835 175.510 -0.050 0.000 1.024 42 N CA 1.846 54.882 53.050 -0.023 0.000 0.726 42 N CB -1.518 36.902 38.487 -0.112 0.000 0.908 42 N HN 1.257 nan 8.380 nan 0.000 0.542 43 T N -2.414 112.159 114.554 0.032 0.000 2.948 43 T HA 0.756 5.106 4.350 -0.000 0.000 0.285 43 T C -0.019 174.763 174.700 0.137 0.000 1.019 43 T CA -0.763 61.338 62.100 0.002 0.000 1.013 43 T CB 2.049 70.917 68.868 0.000 0.000 1.117 43 T HN 0.243 nan 8.240 nan 0.000 0.533 44 Y N -1.936 118.421 120.300 0.094 0.000 2.602 44 Y HA 0.765 5.315 4.550 0.000 0.000 0.342 44 Y C -3.068 172.829 175.900 -0.005 0.000 1.029 44 Y CA -3.644 54.500 58.100 0.075 0.000 1.080 44 Y CB 0.264 38.765 38.460 0.068 0.000 1.284 44 Y HN 0.366 nan 8.280 nan 0.000 0.485 45 P HA 0.229 nan 4.420 nan 0.000 0.271 45 P C -0.754 176.569 177.300 0.039 0.000 1.380 45 P CA 0.063 63.117 63.100 -0.076 0.000 0.992 45 P CB 0.218 31.739 31.700 -0.297 0.000 1.230 46 A N 6.017 128.834 122.820 -0.004 0.000 2.539 46 A HA 0.274 4.594 4.320 -0.000 0.000 0.306 46 A C 0.335 177.872 177.584 -0.077 0.000 1.392 46 A CA -0.332 51.662 52.037 -0.071 0.000 1.060 46 A CB -0.649 18.093 19.000 -0.431 0.000 1.134 46 A HN 0.371 nan 8.150 nan 0.000 0.542 47 I N 2.269 122.829 120.570 -0.015 0.000 2.291 47 I HA 0.547 4.717 4.170 -0.000 0.000 0.292 47 I C 0.534 176.699 176.117 0.080 0.000 1.064 47 I CA 0.264 61.569 61.300 0.009 0.000 1.269 47 I CB -0.361 37.642 38.000 0.006 0.000 1.418 47 I HN 0.666 nan 8.210 nan 0.000 0.485 48 A N 7.016 129.900 122.820 0.107 0.000 2.586 48 A HA 0.704 5.024 4.320 -0.000 0.000 0.291 48 A C -0.435 177.389 177.584 0.400 0.000 1.062 48 A CA -0.889 51.246 52.037 0.162 0.000 0.666 48 A CB 1.649 20.479 19.000 -0.282 0.000 1.281 48 A HN 0.459 nan 8.150 nan 0.000 0.421 49 R N 0.055 120.719 120.500 0.274 0.000 2.637 49 R HA 0.439 4.779 4.340 -0.000 0.000 0.269 49 R C -2.618 173.603 176.300 -0.132 0.000 1.089 49 R CA -2.029 54.122 56.100 0.086 0.000 1.177 49 R CB -0.624 29.706 30.300 0.049 0.000 1.091 49 R HN 0.427 nan 8.270 nan 0.000 0.540 50 P HA -0.101 nan 4.420 nan 0.000 0.262 50 P C -0.262 176.891 177.300 -0.244 0.000 1.182 50 P CA 0.321 62.821 63.100 -1.000 0.000 0.761 50 P CB 0.198 31.104 31.700 -1.324 0.000 0.795 51 W N 0.288 121.601 121.300 0.022 0.000 5.950 51 W HA -0.158 4.502 4.660 -0.000 0.000 0.383 51 W C 0.611 177.257 176.519 0.212 0.000 1.418 51 W CA 0.721 58.166 57.345 0.167 0.000 0.994 51 W CB -2.373 27.217 29.460 0.217 0.000 2.552 51 W HN 0.462 nan 8.180 nan 0.000 1.551 52 G N 0.652 109.734 108.800 0.470 0.000 2.441 52 G HA2 0.244 4.204 3.960 -0.000 0.000 0.243 52 G HA3 0.244 4.204 3.960 -0.000 0.000 0.243 52 G C 0.813 175.899 174.900 0.309 0.000 1.281 52 G CA 0.138 45.490 45.100 0.419 0.000 0.854 52 G HN 0.268 nan 8.290 nan 0.000 0.560 53 M N 1.791 121.507 119.600 0.193 0.000 2.117 53 M HA -0.048 4.432 4.480 -0.000 0.000 0.262 53 M C 0.197 176.645 176.300 0.247 0.000 1.065 53 M CA 1.181 56.596 55.300 0.191 0.000 1.114 53 M CB 0.006 32.691 32.600 0.142 0.000 1.361 53 M HN 0.407 nan 8.290 nan 0.000 0.408 54 N N 0.235 119.069 118.700 0.224 0.000 2.407 54 N HA 0.271 5.011 4.740 -0.000 0.000 0.277 54 N C -1.491 174.165 175.510 0.243 0.000 0.995 54 N CA -0.283 52.815 53.050 0.080 0.000 0.903 54 N CB 1.120 39.704 38.487 0.162 0.000 1.218 54 N HN -0.005 nan 8.380 nan 0.000 0.487 55 F N 0.672 120.484 119.950 -0.230 0.000 2.399 55 F HA 0.488 5.015 4.527 -0.000 0.000 0.328 55 F C 0.110 175.723 175.800 -0.313 0.000 1.084 55 F CA -1.196 56.748 58.000 -0.093 0.000 1.053 55 F CB 0.612 39.605 39.000 -0.012 0.000 1.209 55 F HN 0.297 nan 8.300 nan 0.000 0.502 56 W N 0.156 121.525 121.300 0.116 0.000 2.819 56 W HA 0.567 5.227 4.660 -0.000 0.000 0.337 56 W C -0.320 176.173 176.519 -0.043 0.000 1.077 56 W CA -0.595 56.748 57.345 -0.004 0.000 1.226 56 W CB 2.102 31.551 29.460 -0.018 0.000 1.419 56 W HN 0.390 nan 8.180 nan 0.000 0.502 57 T N 3.790 118.402 114.554 0.097 0.000 2.923 57 T HA 0.494 4.844 4.350 -0.000 0.000 0.311 57 T C -2.847 171.772 174.700 -0.135 0.000 1.183 57 T CA -2.159 59.895 62.100 -0.076 0.000 1.020 57 T CB 1.465 70.281 68.868 -0.086 0.000 1.165 57 T HN 0.075 nan 8.240 nan 0.000 0.482 58 P HA 0.153 nan 4.420 nan 0.000 0.268 58 P C -1.154 176.041 177.300 -0.174 0.000 1.205 58 P CA -0.144 62.705 63.100 -0.418 0.000 0.771 58 P CB 0.495 31.900 31.700 -0.491 0.000 0.858 59 Q N 1.482 121.132 119.800 -0.250 0.000 2.348 59 Q HA 0.274 4.614 4.340 -0.000 0.000 0.265 59 Q C 0.646 176.565 176.000 -0.134 0.000 0.998 59 Q CA -0.371 55.363 55.803 -0.116 0.000 0.831 59 Q CB 1.028 29.706 28.738 -0.100 0.000 1.251 59 Q HN 0.513 nan 8.270 nan 0.000 0.456 60 T N -0.175 114.333 114.554 -0.076 0.000 3.039 60 T HA 0.238 4.588 4.350 -0.000 0.000 0.250 60 T C 0.915 175.558 174.700 -0.094 0.000 1.052 60 T CA 0.397 62.423 62.100 -0.123 0.000 1.125 60 T CB 0.182 68.938 68.868 -0.186 0.000 0.908 60 T HN 0.514 nan 8.240 nan 0.000 0.473 61 G N 1.306 110.078 108.800 -0.047 0.000 2.572 61 G HA2 0.458 4.418 3.960 -0.000 0.000 0.261 61 G HA3 0.458 4.418 3.960 -0.000 0.000 0.261 61 G C -0.591 174.278 174.900 -0.052 0.000 1.197 61 G CA -0.831 44.251 45.100 -0.030 0.000 0.870 61 G HN 0.430 nan 8.290 nan 0.000 0.548 62 K N 0.156 120.521 120.400 -0.058 0.000 2.258 62 K HA 0.121 4.441 4.320 -0.000 0.000 0.264 62 K C 0.819 177.365 176.600 -0.090 0.000 1.007 62 K CA -0.315 55.920 56.287 -0.086 0.000 0.941 62 K CB 0.936 33.387 32.500 -0.082 0.000 0.966 62 K HN 0.542 nan 8.250 nan 0.000 0.480 63 M N 1.717 121.207 119.600 -0.183 0.000 2.286 63 M HA -0.126 4.354 4.480 -0.000 0.000 0.365 63 M C 0.739 176.968 176.300 -0.118 0.000 1.443 63 M CA 2.003 57.136 55.300 -0.278 0.000 0.951 63 M CB -0.334 31.892 32.600 -0.622 0.000 1.961 63 M HN 0.979 nan 8.290 nan 0.000 0.468 64 G N 3.129 111.928 108.800 -0.003 0.000 2.254 64 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.225 64 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.225 64 G C -0.167 174.762 174.900 0.048 0.000 1.003 64 G CA 0.136 45.256 45.100 0.033 0.000 0.622 64 G HN 0.765 nan 8.290 nan 0.000 0.507 65 D N 1.445 121.873 120.400 0.046 0.000 2.348 65 D HA 0.472 5.112 4.640 -0.000 0.000 0.253 65 D C 1.720 178.079 176.300 0.099 0.000 1.161 65 D CA 0.685 54.743 54.000 0.097 0.000 0.876 65 D CB 0.823 41.677 40.800 0.091 0.000 1.160 65 D HN 0.245 nan 8.370 nan 0.000 0.459 66 G N 3.723 112.586 108.800 0.105 0.000 2.462 66 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.220 66 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.220 66 G C 0.701 175.455 174.900 -0.242 0.000 1.121 66 G CA -0.071 44.939 45.100 -0.149 0.000 0.758 66 G HN 0.594 nan 8.290 nan 0.000 0.559 67 W N 2.238 123.473 121.300 -0.108 0.000 1.864 67 W HA 0.217 4.877 4.660 -0.000 0.000 0.425 67 W C 1.427 177.926 176.519 -0.034 0.000 0.791 67 W CA -0.406 56.901 57.345 -0.064 0.000 1.650 67 W CB -0.119 29.294 29.460 -0.078 0.000 1.791 67 W HN 0.543 nan 8.180 nan 0.000 0.266 68 Q N 0.859 120.708 119.800 0.082 0.000 2.245 68 Q HA -0.141 4.199 4.340 -0.000 0.000 0.201 68 Q C 0.024 176.096 176.000 0.120 0.000 0.955 68 Q CA 1.103 56.929 55.803 0.039 0.000 0.870 68 Q CB 0.126 28.809 28.738 -0.092 0.000 0.945 68 Q HN 0.377 nan 8.270 nan 0.000 0.461 69 Y N 1.510 121.847 120.300 0.062 0.000 2.354 69 Y HA 0.369 4.919 4.550 -0.000 0.000 0.330 69 Y C -1.327 174.693 175.900 0.199 0.000 1.011 69 Y CA -0.663 57.504 58.100 0.112 0.000 1.099 69 Y CB 2.068 40.598 38.460 0.117 0.000 1.179 69 Y HN 0.088 nan 8.280 nan 0.000 0.442 70 T N 1.975 116.427 114.554 -0.169 0.000 2.861 70 T HA 0.179 4.529 4.350 -0.000 0.000 0.287 70 T C 0.141 174.770 174.700 -0.118 0.000 1.003 70 T CA -0.578 61.534 62.100 0.020 0.000 0.977 70 T CB 1.184 70.100 68.868 0.079 0.000 0.996 70 T HN 0.745 nan 8.240 nan 0.000 0.448 71 Y N 2.989 123.304 120.300 0.026 0.000 2.274 71 Y HA -0.111 4.439 4.550 0.000 0.000 0.290 71 Y C 2.601 178.588 175.900 0.146 0.000 1.145 71 Y CA 2.236 60.402 58.100 0.111 0.000 1.203 71 Y CB -0.144 38.361 38.460 0.074 0.000 0.984 71 Y HN 0.873 nan 8.280 nan 0.000 0.533 72 T N -1.693 112.936 114.554 0.125 0.000 3.129 72 T HA 0.359 4.709 4.350 -0.000 0.000 0.251 72 T C 0.805 175.447 174.700 -0.096 0.000 1.117 72 T CA 0.157 62.281 62.100 0.039 0.000 1.034 72 T CB -0.540 68.366 68.868 0.064 0.000 0.968 72 T HN 0.326 nan 8.240 nan 0.000 0.526 73 A N 1.665 124.397 122.820 -0.146 0.000 2.386 73 A HA 0.492 4.812 4.320 -0.000 0.000 0.248 73 A C 1.079 178.462 177.584 -0.335 0.000 1.082 73 A CA -0.628 51.280 52.037 -0.215 0.000 0.789 73 A CB 0.244 19.129 19.000 -0.191 0.000 1.025 73 A HN 0.303 nan 8.150 nan 0.000 0.490 74 N N -0.109 118.318 118.700 -0.455 0.000 2.322 74 N HA 0.093 4.833 4.740 -0.000 0.000 0.181 74 N C -0.452 174.710 175.510 -0.579 0.000 1.088 74 N CA 0.683 53.276 53.050 -0.762 0.000 0.885 74 N CB 0.401 38.069 38.487 -1.365 0.000 1.013 74 N HN 0.609 nan 8.380 nan 0.000 0.472 75 K N 0.562 120.784 120.400 -0.296 0.000 2.378 75 K HA 0.495 4.815 4.320 -0.000 0.000 0.252 75 K C -0.738 175.831 176.600 -0.052 0.000 0.931 75 K CA -0.510 55.688 56.287 -0.148 0.000 0.794 75 K CB 2.675 35.004 32.500 -0.285 0.000 1.181 75 K HN -0.153 nan 8.250 nan 0.000 0.425 76 I N 2.980 123.500 120.570 -0.082 0.000 2.437 76 I HA 0.298 4.468 4.170 -0.000 0.000 0.298 76 I C 1.298 177.302 176.117 -0.187 0.000 0.984 76 I CA -0.326 60.825 61.300 -0.249 0.000 1.214 76 I CB 1.232 38.945 38.000 -0.478 0.000 1.365 76 I HN 0.689 nan 8.210 nan 0.000 0.469 77 R N 3.786 124.164 120.500 -0.204 0.000 2.531 77 R HA 0.493 4.833 4.340 -0.000 0.000 0.316 77 R C 0.073 176.296 176.300 -0.128 0.000 0.955 77 R CA -0.151 55.867 56.100 -0.136 0.000 1.120 77 R CB 1.065 31.289 30.300 -0.128 0.000 1.361 77 R HN 0.734 nan 8.270 nan 0.000 0.534 78 G N 0.601 109.270 108.800 -0.218 0.000 2.466 78 G HA2 0.443 4.403 3.960 -0.000 0.000 0.291 78 G HA3 0.443 4.403 3.960 -0.000 0.000 0.291 78 G C -1.992 172.697 174.900 -0.352 0.000 1.460 78 G CA -0.834 44.188 45.100 -0.130 0.000 0.791 78 G HN 0.024 nan 8.290 nan 0.000 0.505 79 F N 0.900 120.913 119.950 0.105 0.000 2.427 79 F HA 0.612 5.139 4.527 -0.000 0.000 0.348 79 F C 0.428 176.364 175.800 0.226 0.000 1.125 79 F CA -0.703 57.426 58.000 0.216 0.000 0.989 79 F CB 2.513 41.782 39.000 0.449 0.000 1.165 79 F HN 0.324 nan 8.300 nan 0.000 0.442 80 K N 3.424 123.933 120.400 0.180 0.000 2.292 80 K HA 0.307 4.627 4.320 -0.000 0.000 0.257 80 K C -0.679 175.517 176.600 -0.672 0.000 0.940 80 K CA -0.690 55.462 56.287 -0.226 0.000 0.811 80 K CB 1.546 33.913 32.500 -0.222 0.000 1.120 80 K HN 0.716 nan 8.250 nan 0.000 0.428 81 Q N 2.553 121.432 119.800 -1.535 0.000 2.304 81 Q HA 0.094 4.434 4.340 -0.000 0.000 0.260 81 Q C -1.099 174.268 176.000 -1.055 0.000 0.965 81 Q CA 0.408 55.075 55.803 -1.894 0.000 0.898 81 Q CB 1.166 28.617 28.738 -2.146 0.000 1.196 81 Q HN 0.643 nan 8.270 nan 0.000 0.402 82 T N 2.309 116.324 114.554 -0.899 0.000 2.900 82 T HA 0.402 4.752 4.350 -0.000 0.000 0.303 82 T C -0.924 173.286 174.700 -0.816 0.000 1.142 82 T CA -0.499 61.210 62.100 -0.652 0.000 1.007 82 T CB 0.982 69.550 68.868 -0.501 0.000 1.156 82 T HN 0.792 nan 8.240 nan 0.000 0.490 83 H N 0.559 119.420 119.070 -0.349 0.000 3.078 83 H HA 0.368 4.924 4.556 -0.000 0.000 0.263 83 H C 0.543 175.848 175.328 -0.039 0.000 1.177 83 H CA -0.376 55.466 56.048 -0.343 0.000 1.128 83 H CB 0.573 29.857 29.762 -0.797 0.000 1.623 83 H HN 0.448 nan 8.280 nan 0.000 0.592 84 Q N 3.592 123.452 119.800 0.101 0.000 2.263 84 Q HA 0.011 4.351 4.340 -0.000 0.000 0.289 84 Q C -1.585 174.657 176.000 0.402 0.000 1.061 84 Q CA -1.274 54.651 55.803 0.203 0.000 0.927 84 Q CB 1.022 29.791 28.738 0.052 0.000 1.154 84 Q HN 0.213 nan 8.270 nan 0.000 0.378 85 P HA 0.032 nan 4.420 nan 0.000 0.245 85 P C -0.614 176.670 177.300 -0.026 0.000 1.199 85 P CA 0.443 63.531 63.100 -0.019 0.000 0.807 85 P CB 0.571 32.335 31.700 0.107 0.000 1.002 86 S N -1.814 113.910 115.700 0.040 0.000 2.578 86 S HA 0.368 4.838 4.470 -0.000 0.000 0.272 86 S C -2.719 171.750 174.600 -0.218 0.000 1.145 86 S CA -1.066 57.110 58.200 -0.040 0.000 0.835 86 S CB 1.420 64.676 63.200 0.094 0.000 1.104 86 S HN -0.260 nan 8.310 nan 0.000 0.458 87 P HA 0.012 nan 4.420 nan 0.000 0.225 87 P C 0.551 177.392 177.300 -0.766 0.000 1.148 87 P CA 0.948 63.470 63.100 -0.963 0.000 0.779 87 P CB -0.230 30.207 31.700 -2.105 0.000 0.780 88 W N -0.430 120.710 121.300 -0.266 0.000 2.481 88 W HA 0.063 4.723 4.660 -0.000 0.000 0.293 88 W C 2.265 178.692 176.519 -0.153 0.000 1.201 88 W CA -0.187 57.074 57.345 -0.140 0.000 1.328 88 W CB -0.835 28.560 29.460 -0.109 0.000 1.112 88 W HN -0.226 nan 8.180 nan 0.000 0.546 89 I N 0.203 120.764 120.570 -0.016 0.000 2.500 89 I HA -0.126 4.044 4.170 -0.000 0.000 0.252 89 I C 1.287 177.371 176.117 -0.056 0.000 1.142 89 I CA 1.078 62.296 61.300 -0.137 0.000 1.451 89 I CB -1.526 36.298 38.000 -0.293 0.000 1.093 89 I HN 0.192 nan 8.210 nan 0.000 0.430 90 N N 0.878 119.549 118.700 -0.048 0.000 5.393 90 N HA -0.217 4.523 4.740 -0.000 0.000 0.330 90 N C -0.303 175.237 175.510 0.050 0.000 0.915 90 N CA 1.113 54.152 53.050 -0.019 0.000 1.070 90 N CB -0.500 37.991 38.487 0.006 0.000 0.848 90 N HN 0.205 nan 8.380 nan 0.000 0.486 91 D N -1.057 119.389 120.400 0.076 0.000 2.497 91 D HA 0.756 5.396 4.640 -0.000 0.000 0.243 91 D C -0.849 175.586 176.300 0.224 0.000 1.039 91 D CA 0.023 54.083 54.000 0.101 0.000 1.052 91 D CB 0.986 41.789 40.800 0.006 0.000 1.344 91 D HN 0.452 nan 8.370 nan 0.000 0.553 92 Y N -2.752 117.624 120.300 0.127 0.000 2.689 92 Y HA 0.499 5.049 4.550 -0.000 0.000 0.333 92 Y C 0.244 176.381 175.900 0.395 0.000 1.208 92 Y CA -1.119 57.086 58.100 0.175 0.000 1.055 92 Y CB 0.713 39.146 38.460 -0.045 0.000 1.304 92 Y HN 0.523 nan 8.280 nan 0.000 0.455 93 G N 2.034 111.223 108.800 0.650 0.000 2.372 93 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.297 93 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.297 93 G C -0.754 174.304 174.900 0.263 0.000 1.005 93 G CA 0.463 45.889 45.100 0.543 0.000 1.173 93 G HN 1.024 nan 8.290 nan 0.000 0.511 94 Q N -0.587 119.257 119.800 0.073 0.000 2.310 94 Q HA 0.812 5.152 4.340 -0.000 0.000 0.270 94 Q C -0.443 175.198 176.000 -0.599 0.000 1.025 94 Q CA -1.271 54.321 55.803 -0.352 0.000 0.772 94 Q CB 1.968 30.444 28.738 -0.436 0.000 1.253 94 Q HN 1.022 nan 8.270 nan 0.000 0.450 95 F N -0.640 118.816 119.950 -0.823 0.000 2.685 95 F HA 0.850 5.377 4.527 -0.000 0.000 0.315 95 F C -1.300 174.219 175.800 -0.469 0.000 1.126 95 F CA -0.771 56.797 58.000 -0.721 0.000 0.950 95 F CB 1.533 40.214 39.000 -0.533 0.000 1.360 95 F HN 0.678 nan 8.300 nan 0.000 0.469 96 S N 1.412 117.085 115.700 -0.045 0.000 2.618 96 S HA 0.841 5.311 4.470 -0.000 0.000 0.277 96 S C -1.634 173.063 174.600 0.162 0.000 1.138 96 S CA -0.755 57.455 58.200 0.017 0.000 0.844 96 S CB 2.031 65.322 63.200 0.151 0.000 1.127 96 S HN 1.149 nan 8.310 nan 0.000 0.474 97 I N 1.080 121.738 120.570 0.147 0.000 2.647 97 I HA 0.781 4.951 4.170 -0.000 0.000 0.295 97 I C -1.775 174.437 176.117 0.158 0.000 1.078 97 I CA -1.126 60.241 61.300 0.111 0.000 1.048 97 I CB 2.093 40.060 38.000 -0.055 0.000 1.239 97 I HN 0.890 nan 8.210 nan 0.000 0.421 98 M N 10.463 130.112 119.600 0.081 0.000 2.206 98 M HA 0.546 5.026 4.480 -0.000 0.000 0.272 98 M C -2.908 173.335 176.300 -0.094 0.000 1.012 98 M CA -1.768 53.580 55.300 0.079 0.000 0.986 98 M CB 2.231 34.865 32.600 0.057 0.000 1.740 98 M HN 0.140 nan 8.290 nan 0.000 0.472 99 P HA 0.568 nan 4.420 nan 0.000 0.284 99 P C -1.135 176.055 177.300 -0.183 0.000 1.253 99 P CA -0.272 62.617 63.100 -0.352 0.000 0.800 99 P CB 0.734 31.944 31.700 -0.817 0.000 0.961 100 I N -0.695 119.793 120.570 -0.136 0.000 3.354 100 I HA 0.785 4.955 4.170 -0.000 0.000 0.316 100 I C -1.535 174.515 176.117 -0.111 0.000 1.182 100 I CA -1.418 59.606 61.300 -0.460 0.000 0.942 100 I CB 2.296 40.038 38.000 -0.430 0.000 1.299 100 I HN 0.065 nan 8.210 nan 0.000 0.473 101 V N 1.025 120.829 119.914 -0.182 0.000 3.012 101 V HA 0.813 4.933 4.120 -0.000 0.000 0.307 101 V C 0.464 176.632 176.094 0.123 0.000 1.166 101 V CA 0.695 63.042 62.300 0.079 0.000 0.974 101 V CB 1.341 33.255 31.823 0.152 0.000 1.040 101 V HN 1.444 nan 8.190 nan 0.000 0.428 102 G N 3.828 112.735 108.800 0.178 0.000 3.138 102 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.247 102 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.247 102 G C -0.372 174.608 174.900 0.132 0.000 1.642 102 G CA -0.081 45.107 45.100 0.146 0.000 1.087 102 G HN 0.679 nan 8.290 nan 0.000 0.558 103 Q N 2.380 122.188 119.800 0.014 0.000 2.230 103 Q HA 0.484 4.824 4.340 -0.000 0.000 0.253 103 Q C -2.311 173.476 176.000 -0.355 0.000 0.919 103 Q CA -1.662 54.058 55.803 -0.138 0.000 0.908 103 Q CB 1.724 30.394 28.738 -0.114 0.000 1.245 103 Q HN 0.455 nan 8.270 nan 0.000 0.437 104 P HA 0.050 nan 4.420 nan 0.000 0.268 104 P C -0.531 176.542 177.300 -0.379 0.000 1.541 104 P CA -0.089 62.464 63.100 -0.912 0.000 1.093 104 P CB -0.089 30.935 31.700 -1.126 0.000 1.551 105 V N 0.991 120.758 119.914 -0.244 0.000 2.417 105 V HA 0.400 4.520 4.120 -0.000 0.000 0.291 105 V C 0.672 176.749 176.094 -0.029 0.000 1.024 105 V CA -0.667 61.574 62.300 -0.099 0.000 0.861 105 V CB 1.397 33.179 31.823 -0.069 0.000 0.985 105 V HN 0.213 nan 8.190 nan 0.000 0.436 106 F N 2.551 122.425 119.950 -0.126 0.000 2.446 106 F HA 0.267 4.794 4.527 -0.000 0.000 0.292 106 F C 1.330 177.076 175.800 -0.091 0.000 1.096 106 F CA 0.363 58.296 58.000 -0.111 0.000 1.438 106 F CB 0.095 39.015 39.000 -0.132 0.000 1.107 106 F HN 0.801 nan 8.300 nan 0.000 0.546 107 D N 1.294 121.674 120.400 -0.035 0.000 2.648 107 D HA -0.160 4.480 4.640 -0.000 0.000 0.229 107 D C 1.372 177.553 176.300 -0.199 0.000 1.119 107 D CA 0.809 54.753 54.000 -0.094 0.000 0.850 107 D CB 0.561 41.343 40.800 -0.030 0.000 1.169 107 D HN 0.628 nan 8.370 nan 0.000 0.489 108 E N 2.389 122.456 120.200 -0.221 0.000 2.268 108 E HA -0.211 4.139 4.350 -0.000 0.000 0.195 108 E C 0.937 177.456 176.600 -0.135 0.000 0.995 108 E CA 0.954 57.227 56.400 -0.212 0.000 0.836 108 E CB -0.003 29.572 29.700 -0.209 0.000 0.763 108 E HN 0.656 nan 8.360 nan 0.000 0.491 109 E N 1.170 121.309 120.200 -0.100 0.000 2.075 109 E HA -0.029 4.321 4.350 -0.000 0.000 0.190 109 E C 1.941 178.509 176.600 -0.053 0.000 0.969 109 E CA 0.566 56.921 56.400 -0.076 0.000 0.815 109 E CB 0.058 29.722 29.700 -0.061 0.000 0.776 109 E HN 0.180 nan 8.360 nan 0.000 0.457 110 K N 1.009 121.383 120.400 -0.043 0.000 2.283 110 K HA -0.091 4.229 4.320 -0.000 0.000 0.202 110 K C 2.181 178.789 176.600 0.014 0.000 1.048 110 K CA 0.811 57.089 56.287 -0.015 0.000 0.948 110 K CB 0.000 32.491 32.500 -0.015 0.000 0.742 110 K HN 0.051 nan 8.250 nan 0.000 0.458 111 R N 0.408 120.904 120.500 -0.007 0.000 2.297 111 R HA 0.192 4.532 4.340 -0.000 0.000 0.197 111 R C 0.429 176.811 176.300 0.137 0.000 0.943 111 R CA 0.146 56.278 56.100 0.054 0.000 1.038 111 R CB 0.086 30.360 30.300 -0.043 0.000 0.957 111 R HN -0.082 nan 8.270 nan 0.000 0.484 112 A N 1.413 124.250 122.820 0.029 0.000 2.406 112 A HA 0.322 4.642 4.320 -0.000 0.000 0.243 112 A C -0.234 177.321 177.584 -0.048 0.000 1.082 112 A CA 0.032 52.059 52.037 -0.018 0.000 0.786 112 A CB 0.776 19.730 19.000 -0.077 0.000 1.029 112 A HN 0.391 nan 8.150 nan 0.000 0.495 113 S N 0.193 115.852 115.700 -0.070 0.000 2.538 113 S HA 0.501 4.971 4.470 -0.000 0.000 0.288 113 S C -0.963 173.662 174.600 0.042 0.000 1.108 113 S CA -0.556 57.585 58.200 -0.098 0.000 0.971 113 S CB 0.314 63.397 63.200 -0.194 0.000 1.041 113 S HN 0.581 nan 8.310 nan 0.000 0.483 114 W N 4.333 125.599 121.300 -0.057 0.000 2.274 114 W HA 0.345 5.005 4.660 -0.000 0.000 0.345 114 W C 0.186 176.766 176.519 0.102 0.000 1.265 114 W CA 0.593 57.935 57.345 -0.005 0.000 1.293 114 W CB 0.319 29.745 29.460 -0.057 0.000 1.175 114 W HN 0.593 nan 8.180 nan 0.000 0.577 115 F N 1.110 121.151 119.950 0.153 0.000 2.685 115 F HA 0.879 5.406 4.527 -0.000 0.000 0.315 115 F C -1.160 174.680 175.800 0.067 0.000 1.126 115 F CA -1.972 56.086 58.000 0.097 0.000 0.950 115 F CB 0.654 39.667 39.000 0.021 0.000 1.360 115 F HN 0.398 nan 8.300 nan 0.000 0.469 116 A N 0.392 123.082 122.820 -0.217 0.000 2.454 116 A HA 0.533 4.853 4.320 -0.000 0.000 0.302 116 A C 0.042 177.496 177.584 -0.218 0.000 1.079 116 A CA -0.719 51.058 52.037 -0.433 0.000 0.731 116 A CB 0.614 19.551 19.000 -0.104 0.000 1.299 116 A HN 0.986 nan 8.150 nan 0.000 0.413 117 H N 0.872 119.875 119.070 -0.112 0.000 2.457 117 H HA -0.078 4.478 4.556 0.000 0.000 0.297 117 H C 1.002 176.409 175.328 0.132 0.000 1.092 117 H CA 1.867 57.971 56.048 0.093 0.000 1.309 117 H CB 0.178 29.957 29.762 0.027 0.000 1.382 117 H HN 0.671 nan 8.280 nan 0.000 0.535 118 K N 0.231 120.738 120.400 0.177 0.000 2.442 118 K HA -0.012 4.308 4.320 -0.000 0.000 0.198 118 K C 1.693 178.362 176.600 0.114 0.000 1.042 118 K CA 0.677 57.042 56.287 0.130 0.000 0.958 118 K CB 0.260 32.813 32.500 0.089 0.000 0.766 118 K HN 0.169 nan 8.250 nan 0.000 0.474 119 G N 1.175 110.066 108.800 0.152 0.000 3.523 119 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.270 119 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.270 119 G C -0.501 174.509 174.900 0.184 0.000 1.134 119 G CA -0.205 45.000 45.100 0.176 0.000 0.825 119 G HN 0.148 nan 8.290 nan 0.000 0.534 120 E N 0.255 120.544 120.200 0.148 0.000 2.292 120 E HA 0.506 4.856 4.350 -0.000 0.000 0.272 120 E C -1.682 174.901 176.600 -0.028 0.000 0.881 120 E CA -0.560 55.873 56.400 0.056 0.000 0.754 120 E CB 2.675 32.526 29.700 0.251 0.000 1.201 120 E HN -0.107 nan 8.360 nan 0.000 0.425 121 V N 2.686 122.464 119.914 -0.226 0.000 2.443 121 V HA 0.661 4.781 4.120 -0.000 0.000 0.293 121 V C -0.509 175.399 176.094 -0.309 0.000 1.021 121 V CA -0.601 61.602 62.300 -0.162 0.000 0.848 121 V CB 1.177 32.979 31.823 -0.035 0.000 0.998 121 V HN 0.729 nan 8.190 nan 0.000 0.424 122 A N 3.816 126.559 122.820 -0.128 0.000 2.304 122 A HA 0.927 5.247 4.320 -0.000 0.000 0.314 122 A C 0.052 177.548 177.584 -0.147 0.000 1.187 122 A CA -0.257 51.751 52.037 -0.048 0.000 0.810 122 A CB 1.399 20.489 19.000 0.151 0.000 1.183 122 A HN 0.943 nan 8.150 nan 0.000 0.487 123 T N -0.322 114.072 114.554 -0.266 0.000 2.865 123 T HA 0.677 5.027 4.350 -0.000 0.000 0.294 123 T C -2.547 171.829 174.700 -0.541 0.000 1.119 123 T CA -1.708 60.101 62.100 -0.485 0.000 1.007 123 T CB 1.668 70.061 68.868 -0.792 0.000 1.225 123 T HN 0.101 nan 8.240 nan 0.000 0.515 124 P HA -0.025 nan 4.420 nan 0.000 0.218 124 P C 0.819 178.006 177.300 -0.189 0.000 1.148 124 P CA 1.122 63.845 63.100 -0.629 0.000 0.822 124 P CB -0.294 30.622 31.700 -1.306 0.000 0.784 125 Y N -4.445 115.829 120.300 -0.044 0.000 2.444 125 Y HA 0.444 4.994 4.550 -0.000 0.000 0.249 125 Y C 0.227 176.216 175.900 0.149 0.000 1.134 125 Y CA -1.016 57.155 58.100 0.119 0.000 1.261 125 Y CB -0.165 38.387 38.460 0.153 0.000 1.143 125 Y HN -0.155 nan 8.280 nan 0.000 0.523 126 Y N 0.487 120.568 120.300 -0.365 0.000 2.424 126 Y HA 0.455 5.005 4.550 0.000 0.000 0.323 126 Y C -2.415 173.375 175.900 -0.185 0.000 1.174 126 Y CA -2.258 55.705 58.100 -0.229 0.000 1.060 126 Y CB 1.029 39.377 38.460 -0.186 0.000 1.314 126 Y HN 0.051 nan 8.280 nan 0.000 0.439 127 Y N 6.499 126.336 120.300 -0.771 0.000 2.391 127 Y HA 0.616 5.166 4.550 -0.000 0.000 0.341 127 Y C -1.434 173.980 175.900 -0.810 0.000 0.965 127 Y CA -0.836 56.888 58.100 -0.627 0.000 1.067 127 Y CB 1.435 39.715 38.460 -0.301 0.000 1.199 127 Y HN 0.681 nan 8.280 nan 0.000 0.450 128 K N 5.517 125.249 120.400 -1.113 0.000 2.427 128 K HA 0.795 5.115 4.320 -0.000 0.000 0.252 128 K C -2.437 173.814 176.600 -0.582 0.000 0.931 128 K CA -0.803 55.079 56.287 -0.675 0.000 0.793 128 K CB 2.203 34.459 32.500 -0.408 0.000 1.211 128 K HN 0.565 nan 8.250 nan 0.000 0.426 129 V N 4.208 124.016 119.914 -0.177 0.000 3.012 129 V HA 0.417 4.537 4.120 -0.000 0.000 0.307 129 V C -2.008 174.198 176.094 0.187 0.000 1.166 129 V CA -0.753 61.565 62.300 0.030 0.000 0.974 129 V CB 1.928 33.838 31.823 0.146 0.000 1.040 129 V HN 0.807 nan 8.190 nan 0.000 0.428 130 Y N 5.737 126.106 120.300 0.115 0.000 2.367 130 Y HA 0.632 5.182 4.550 0.000 0.000 0.342 130 Y C -0.449 175.561 175.900 0.185 0.000 0.979 130 Y CA -0.656 57.522 58.100 0.129 0.000 1.161 130 Y CB 1.204 39.725 38.460 0.101 0.000 1.155 130 Y HN 0.557 nan 8.280 nan 0.000 0.503 131 L N 7.668 128.658 121.223 -0.389 0.000 2.282 131 L HA 0.359 4.699 4.340 -0.000 0.000 0.287 131 L C 1.207 177.766 176.870 -0.518 0.000 1.075 131 L CA -0.197 54.492 54.840 -0.251 0.000 0.839 131 L CB 0.933 42.972 42.059 -0.034 0.000 1.219 131 L HN 0.928 nan 8.230 nan 0.000 0.434 132 A N 2.526 125.176 122.820 -0.283 0.000 2.015 132 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 132 A C 1.898 179.416 177.584 -0.110 0.000 1.163 132 A CA 1.261 53.202 52.037 -0.161 0.000 0.646 132 A CB -0.133 18.924 19.000 0.094 0.000 0.806 132 A HN 0.808 nan 8.150 nan 0.000 0.448 133 E N -1.548 118.553 120.200 -0.164 0.000 2.478 133 E HA -0.023 4.327 4.350 -0.000 0.000 0.194 133 E C 0.822 177.294 176.600 -0.214 0.000 1.045 133 E CA 0.290 56.568 56.400 -0.204 0.000 0.868 133 E CB 0.093 29.645 29.700 -0.247 0.000 0.885 133 E HN 0.692 nan 8.360 nan 0.000 0.505 134 H N -0.606 118.450 119.070 -0.022 0.000 3.046 134 H HA 0.060 4.616 4.556 -0.000 0.000 0.262 134 H C 0.045 175.370 175.328 -0.006 0.000 1.044 134 H CA 0.274 56.323 56.048 0.002 0.000 1.209 134 H CB 0.610 30.374 29.762 0.004 0.000 1.507 134 H HN 0.045 nan 8.280 nan 0.000 0.507 135 D N 0.756 121.159 120.400 0.005 0.000 2.723 135 D HA -0.173 4.467 4.640 -0.000 0.000 0.236 135 D C -0.711 175.622 176.300 0.055 0.000 1.138 135 D CA 0.300 54.325 54.000 0.040 0.000 0.676 135 D CB -1.615 39.286 40.800 0.169 0.000 1.069 135 D HN 0.391 nan 8.370 nan 0.000 0.430 136 I N -0.213 120.305 120.570 -0.088 0.000 2.509 136 I HA 0.386 4.556 4.170 -0.000 0.000 0.293 136 I C 0.309 176.415 176.117 -0.018 0.000 1.020 136 I CA -1.255 60.004 61.300 -0.068 0.000 1.088 136 I CB 2.120 40.019 38.000 -0.169 0.000 1.267 136 I HN -0.224 nan 8.210 nan 0.000 0.430 137 V N 4.607 124.569 119.914 0.079 0.000 2.394 137 V HA 0.352 4.472 4.120 -0.000 0.000 0.282 137 V C 0.066 176.203 176.094 0.073 0.000 1.031 137 V CA -0.269 62.112 62.300 0.134 0.000 0.881 137 V CB 1.548 33.468 31.823 0.162 0.000 0.982 137 V HN 0.734 nan 8.190 nan 0.000 0.451 138 T N 5.352 119.941 114.554 0.059 0.000 2.779 138 T HA 0.529 4.879 4.350 -0.000 0.000 0.280 138 T C -0.428 174.168 174.700 -0.174 0.000 0.987 138 T CA -0.521 61.554 62.100 -0.041 0.000 0.966 138 T CB 1.101 69.822 68.868 -0.246 0.000 0.933 138 T HN 0.734 nan 8.240 nan 0.000 0.442 139 E N 2.843 122.882 120.200 -0.268 0.000 2.256 139 E HA 0.711 5.061 4.350 -0.000 0.000 0.267 139 E C -0.496 175.780 176.600 -0.541 0.000 0.892 139 E CA -0.937 55.242 56.400 -0.369 0.000 0.775 139 E CB 2.182 31.774 29.700 -0.180 0.000 1.207 139 E HN 0.645 nan 8.360 nan 0.000 0.420 140 M N -0.517 118.719 119.600 -0.608 0.000 2.371 140 M HA 0.542 5.022 4.480 -0.000 0.000 0.287 140 M C -1.403 174.635 176.300 -0.437 0.000 1.149 140 M CA -0.807 54.017 55.300 -0.794 0.000 0.929 140 M CB 2.180 33.965 32.600 -1.359 0.000 1.683 140 M HN 0.380 nan 8.290 nan 0.000 0.470 141 T N 0.621 114.966 114.554 -0.349 0.000 2.965 141 T HA 0.731 5.081 4.350 -0.000 0.000 0.306 141 T C -3.128 171.484 174.700 -0.147 0.000 0.991 141 T CA -1.300 60.736 62.100 -0.107 0.000 1.001 141 T CB 1.558 70.448 68.868 0.037 0.000 0.984 141 T HN 0.597 nan 8.240 nan 0.000 0.446 142 P HA 0.459 nan 4.420 nan 0.000 0.285 142 P C 0.082 177.424 177.300 0.071 0.000 1.269 142 P CA -0.332 62.748 63.100 -0.034 0.000 0.844 142 P CB 1.648 33.392 31.700 0.073 0.000 1.094 143 T N -2.655 111.949 114.554 0.084 0.000 2.898 143 T HA 0.289 4.639 4.350 -0.000 0.000 0.283 143 T C 1.261 176.058 174.700 0.160 0.000 1.059 143 T CA -0.360 61.806 62.100 0.111 0.000 0.958 143 T CB 0.142 69.061 68.868 0.086 0.000 1.594 143 T HN 0.321 nan 8.240 nan 0.000 0.598 144 E N 0.229 120.514 120.200 0.142 0.000 2.085 144 E HA -0.102 4.248 4.350 -0.000 0.000 0.194 144 E C 2.138 178.850 176.600 0.187 0.000 0.994 144 E CA 1.100 57.595 56.400 0.158 0.000 0.801 144 E CB -0.019 29.744 29.700 0.105 0.000 0.743 144 E HN 0.455 nan 8.360 nan 0.000 0.453 145 R N -1.287 119.314 120.500 0.168 0.000 2.469 145 R HA 0.334 4.674 4.340 -0.000 0.000 0.250 145 R C -0.001 176.442 176.300 0.239 0.000 0.909 145 R CA 0.036 56.246 56.100 0.183 0.000 1.050 145 R CB 1.493 31.862 30.300 0.116 0.000 1.256 145 R HN -0.040 nan 8.270 nan 0.000 0.550 146 A N 0.335 123.281 122.820 0.211 0.000 2.483 146 A HA 0.820 5.140 4.320 -0.000 0.000 0.286 146 A C -1.418 176.212 177.584 0.076 0.000 1.207 146 A CA -0.634 51.512 52.037 0.181 0.000 0.764 146 A CB 2.131 21.201 19.000 0.118 0.000 1.341 146 A HN -0.064 nan 8.150 nan 0.000 0.428 147 V N -0.439 119.436 119.914 -0.064 0.000 3.098 147 V HA 0.600 4.720 4.120 -0.000 0.000 0.294 147 V C -2.175 173.767 176.094 -0.253 0.000 1.351 147 V CA -0.493 61.623 62.300 -0.306 0.000 0.999 147 V CB 1.972 33.262 31.823 -0.888 0.000 1.104 147 V HN 1.250 nan 8.190 nan 0.000 0.438 148 L N 5.549 126.595 121.223 -0.296 0.000 2.313 148 L HA 0.742 5.082 4.340 -0.000 0.000 0.283 148 L C -1.273 175.345 176.870 -0.418 0.000 1.013 148 L CA 0.162 54.861 54.840 -0.235 0.000 0.816 148 L CB 1.329 43.299 42.059 -0.149 0.000 1.236 148 L HN 0.566 nan 8.230 nan 0.000 0.419 149 F N 4.279 123.975 119.950 -0.424 0.000 2.422 149 F HA 0.619 5.146 4.527 0.000 0.000 0.333 149 F C 0.297 175.712 175.800 -0.642 0.000 1.095 149 F CA -0.323 57.302 58.000 -0.624 0.000 1.038 149 F CB 1.426 39.936 39.000 -0.816 0.000 1.156 149 F HN 0.406 nan 8.300 nan 0.000 0.483 150 R N 3.867 124.066 120.500 -0.501 0.000 2.451 150 R HA 0.502 4.842 4.340 -0.000 0.000 0.307 150 R C -2.006 174.061 176.300 -0.389 0.000 0.965 150 R CA -0.473 55.412 56.100 -0.357 0.000 0.865 150 R CB 0.761 30.971 30.300 -0.150 0.000 1.174 150 R HN 0.568 nan 8.270 nan 0.000 0.455 151 F N 2.304 122.280 119.950 0.043 0.000 2.411 151 F HA 0.325 4.852 4.527 0.000 0.000 0.352 151 F C 0.305 176.050 175.800 -0.091 0.000 1.123 151 F CA -0.884 57.051 58.000 -0.109 0.000 1.044 151 F CB 2.374 41.246 39.000 -0.213 0.000 1.135 151 F HN 0.280 nan 8.300 nan 0.000 0.461 152 T N 4.528 119.108 114.554 0.043 0.000 2.762 152 T HA 0.363 4.713 4.350 -0.000 0.000 0.303 152 T C -0.437 174.275 174.700 0.019 0.000 0.977 152 T CA -0.301 61.846 62.100 0.079 0.000 0.961 152 T CB -0.148 68.774 68.868 0.089 0.000 0.944 152 T HN 0.172 nan 8.240 nan 0.000 0.481 153 F N 5.229 125.264 119.950 0.142 0.000 2.377 153 F HA 0.437 4.964 4.527 -0.000 0.000 0.328 153 F C -1.544 174.313 175.800 0.095 0.000 1.094 153 F CA -2.193 55.877 58.000 0.118 0.000 1.093 153 F CB 1.008 40.068 39.000 0.099 0.000 1.214 153 F HN 0.329 nan 8.300 nan 0.000 0.518 154 P HA 0.044 nan 4.420 nan 0.000 0.279 154 P C -1.026 176.369 177.300 0.158 0.000 1.276 154 P CA -0.580 62.639 63.100 0.199 0.000 0.801 154 P CB 0.567 32.375 31.700 0.179 0.000 1.127 155 E N 1.180 121.441 120.200 0.102 0.000 2.328 155 E HA 0.044 4.394 4.350 -0.000 0.000 0.265 155 E C -0.557 176.070 176.600 0.045 0.000 1.057 155 E CA 0.226 56.660 56.400 0.057 0.000 0.916 155 E CB -0.259 29.466 29.700 0.042 0.000 0.993 155 E HN 0.278 nan 8.360 nan 0.000 0.446 156 N N 3.782 122.485 118.700 0.005 0.000 2.516 156 N HA 0.026 4.766 4.740 -0.000 0.000 0.268 156 N C -0.779 174.654 175.510 -0.128 0.000 1.096 156 N CA -0.480 52.553 53.050 -0.027 0.000 0.954 156 N CB 1.680 40.177 38.487 0.016 0.000 1.676 156 N HN 0.376 nan 8.380 nan 0.000 0.490 157 D N -0.105 120.171 120.400 -0.207 0.000 2.224 157 D HA -0.029 4.611 4.640 -0.000 0.000 0.205 157 D C -0.168 175.717 176.300 -0.691 0.000 0.965 157 D CA 1.458 55.190 54.000 -0.446 0.000 0.852 157 D CB 0.142 40.601 40.800 -0.568 0.000 0.947 157 D HN 0.413 nan 8.370 nan 0.000 0.494 158 H N -0.016 118.943 119.070 -0.186 0.000 2.418 158 H HA 0.407 4.963 4.556 0.000 0.000 0.238 158 H C -0.444 174.543 175.328 -0.568 0.000 1.403 158 H CA -0.264 55.545 56.048 -0.399 0.000 1.419 158 H CB 0.307 29.984 29.762 -0.142 0.000 1.463 158 H HN -0.191 nan 8.280 nan 0.000 0.515 159 S N 2.232 117.555 115.700 -0.628 0.000 2.489 159 S HA 0.536 5.006 4.470 -0.000 0.000 0.291 159 S C -0.551 173.476 174.600 -0.955 0.000 1.151 159 S CA -0.510 57.350 58.200 -0.568 0.000 1.082 159 S CB 0.956 63.801 63.200 -0.593 0.000 1.019 159 S HN 0.360 nan 8.310 nan 0.000 0.492 160 Y N 0.140 120.304 120.300 -0.228 0.000 2.576 160 Y HA 0.637 5.187 4.550 -0.000 0.000 0.346 160 Y C -0.367 175.436 175.900 -0.162 0.000 1.018 160 Y CA -1.149 56.752 58.100 -0.331 0.000 1.050 160 Y CB 1.422 39.703 38.460 -0.298 0.000 1.280 160 Y HN 0.300 nan 8.280 nan 0.000 0.474 161 V N 2.781 122.655 119.914 -0.065 0.000 2.487 161 V HA 0.462 4.582 4.120 -0.000 0.000 0.298 161 V C -0.780 175.317 176.094 0.005 0.000 1.028 161 V CA -0.897 61.393 62.300 -0.016 0.000 0.860 161 V CB 1.650 33.540 31.823 0.113 0.000 0.991 161 V HN 0.537 nan 8.190 nan 0.000 0.427 162 V N 5.522 125.452 119.914 0.027 0.000 2.427 162 V HA 0.492 4.612 4.120 -0.000 0.000 0.286 162 V C -0.150 176.029 176.094 0.141 0.000 1.034 162 V CA -0.521 61.826 62.300 0.078 0.000 0.893 162 V CB 1.859 33.700 31.823 0.029 0.000 0.982 162 V HN 0.605 nan 8.190 nan 0.000 0.452 163 V N 3.755 123.796 119.914 0.212 0.000 2.409 163 V HA 0.444 4.564 4.120 -0.000 0.000 0.291 163 V C -0.572 175.740 176.094 0.363 0.000 1.020 163 V CA -0.461 61.991 62.300 0.254 0.000 0.848 163 V CB 1.814 33.786 31.823 0.249 0.000 0.990 163 V HN 0.893 nan 8.190 nan 0.000 0.430 164 D N 3.985 124.611 120.400 0.376 0.000 2.453 164 D HA 0.508 5.148 4.640 -0.000 0.000 0.238 164 D C 0.542 177.199 176.300 0.596 0.000 1.088 164 D CA -0.373 53.951 54.000 0.540 0.000 0.854 164 D CB 2.115 43.127 40.800 0.353 0.000 1.076 164 D HN 0.567 nan 8.370 nan 0.000 0.533 165 A N 3.898 127.071 122.820 0.588 0.000 2.238 165 A HA 0.276 4.596 4.320 -0.000 0.000 0.208 165 A C 0.358 178.291 177.584 0.580 0.000 1.177 165 A CA -0.053 52.296 52.037 0.521 0.000 0.804 165 A CB -0.582 18.698 19.000 0.466 0.000 0.823 165 A HN 0.552 nan 8.150 nan 0.000 0.482 166 F N -0.661 119.439 119.950 0.251 0.000 2.183 166 F HA -0.182 4.345 4.527 0.000 0.000 0.318 166 F C 0.547 176.159 175.800 -0.314 0.000 0.454 166 F CA 0.489 58.440 58.000 -0.082 0.000 0.912 166 F CB -0.902 38.113 39.000 0.026 0.000 4.135 166 F HN 0.585 nan 8.300 nan 0.000 0.137 167 D N 0.462 120.686 120.400 -0.293 0.000 2.560 167 D HA 0.382 5.022 4.640 -0.000 0.000 0.277 167 D C 0.068 176.402 176.300 0.056 0.000 1.194 167 D CA 0.205 54.095 54.000 -0.184 0.000 1.092 167 D CB 0.564 41.218 40.800 -0.242 0.000 1.169 167 D HN 0.530 nan 8.370 nan 0.000 0.607 168 K N -1.354 119.089 120.400 0.071 0.000 3.281 168 K HA -0.053 4.267 4.320 -0.000 0.000 0.295 168 K C 0.329 177.014 176.600 0.140 0.000 1.233 168 K CA 0.966 57.317 56.287 0.106 0.000 0.866 168 K CB -2.267 30.304 32.500 0.119 0.000 1.265 168 K HN 1.320 nan 8.250 nan 0.000 0.482 169 G N 0.183 109.072 108.800 0.149 0.000 3.380 169 G HA2 0.038 3.998 3.960 -0.000 0.000 0.685 169 G HA3 0.038 3.998 3.960 -0.000 0.000 0.685 169 G C -0.253 174.787 174.900 0.233 0.000 1.136 169 G CA -0.012 45.197 45.100 0.181 0.000 1.011 169 G HN 0.833 nan 8.290 nan 0.000 0.471 170 S N 1.005 116.813 115.700 0.180 0.000 2.776 170 S HA 0.900 5.370 4.470 -0.000 0.000 0.292 170 S C -1.066 173.455 174.600 -0.133 0.000 1.187 170 S CA -0.886 57.365 58.200 0.085 0.000 0.834 170 S CB 2.706 66.008 63.200 0.171 0.000 1.199 170 S HN 2.107 nan 8.310 nan 0.000 0.514 171 Y N -0.272 119.695 120.300 -0.556 0.000 2.482 171 Y HA 0.803 5.353 4.550 -0.000 0.000 0.334 171 Y C -2.027 173.669 175.900 -0.341 0.000 1.091 171 Y CA -1.037 56.707 58.100 -0.593 0.000 1.027 171 Y CB 1.296 39.015 38.460 -1.236 0.000 1.306 171 Y HN 0.978 nan 8.280 nan 0.000 0.446 172 I N 5.385 125.422 120.570 -0.889 0.000 2.722 172 I HA 0.560 4.730 4.170 -0.000 0.000 0.295 172 I C -1.775 173.859 176.117 -0.805 0.000 1.161 172 I CA -0.504 60.377 61.300 -0.698 0.000 1.032 172 I CB 1.977 39.837 38.000 -0.233 0.000 1.244 172 I HN 0.665 nan 8.210 nan 0.000 0.421 173 K N 7.352 127.410 120.400 -0.571 0.000 2.553 173 K HA 0.572 4.892 4.320 -0.000 0.000 0.250 173 K C -1.779 174.727 176.600 -0.157 0.000 0.953 173 K CA -0.523 55.555 56.287 -0.347 0.000 0.800 173 K CB 1.456 33.760 32.500 -0.326 0.000 1.243 173 K HN 0.552 nan 8.250 nan 0.000 0.435 174 I N 5.354 125.868 120.570 -0.092 0.000 2.396 174 I HA 0.321 4.491 4.170 -0.000 0.000 0.292 174 I C -0.060 176.088 176.117 0.051 0.000 0.999 174 I CA -0.704 60.594 61.300 -0.002 0.000 1.310 174 I CB 1.195 39.166 38.000 -0.047 0.000 1.404 174 I HN 0.465 nan 8.210 nan 0.000 0.496 175 I N 8.118 128.772 120.570 0.142 0.000 2.595 175 I HA 0.228 4.398 4.170 -0.000 0.000 0.275 175 I C -1.676 174.545 176.117 0.173 0.000 1.092 175 I CA -1.400 59.968 61.300 0.113 0.000 1.145 175 I CB 1.214 39.253 38.000 0.065 0.000 1.276 175 I HN 0.384 nan 8.210 nan 0.000 0.497 176 P HA -0.129 nan 4.420 nan 0.000 0.220 176 P C 0.796 178.079 177.300 -0.028 0.000 1.148 176 P CA 1.296 64.470 63.100 0.123 0.000 0.803 176 P CB 0.267 32.051 31.700 0.141 0.000 0.782 177 E N 0.193 120.393 120.200 -0.000 0.000 2.472 177 E HA -0.106 4.244 4.350 -0.000 0.000 0.200 177 E C 1.005 177.588 176.600 -0.028 0.000 1.046 177 E CA 0.803 57.191 56.400 -0.020 0.000 0.871 177 E CB -0.480 29.217 29.700 -0.005 0.000 0.806 177 E HN 0.475 nan 8.360 nan 0.000 0.533 178 E N 0.045 120.233 120.200 -0.020 0.000 2.810 178 E HA 0.140 4.490 4.350 -0.000 0.000 0.214 178 E C -0.648 175.949 176.600 -0.004 0.000 0.980 178 E CA -0.347 56.053 56.400 -0.002 0.000 1.159 178 E CB 0.350 30.070 29.700 0.033 0.000 1.047 178 E HN 0.040 nan 8.360 nan 0.000 0.484 179 N N 2.372 120.980 118.700 -0.155 0.000 2.702 179 N HA -0.230 4.510 4.740 -0.000 0.000 0.255 179 N C -0.693 175.001 175.510 0.306 0.000 0.983 179 N CA 1.217 54.051 53.050 -0.359 0.000 0.768 179 N CB -0.789 37.545 38.487 -0.254 0.000 0.918 179 N HN 0.283 nan 8.380 nan 0.000 0.540 180 K N 0.380 121.043 120.400 0.440 0.000 2.422 180 K HA 0.617 4.937 4.320 -0.000 0.000 0.251 180 K C -0.715 176.142 176.600 0.428 0.000 0.933 180 K CA -0.623 55.919 56.287 0.425 0.000 0.798 180 K CB 1.437 34.063 32.500 0.209 0.000 1.238 180 K HN 0.071 nan 8.250 nan 0.000 0.428 181 I N 5.946 126.747 120.570 0.386 0.000 2.498 181 I HA 0.435 4.605 4.170 -0.000 0.000 0.290 181 I C -0.139 176.098 176.117 0.200 0.000 1.032 181 I CA -1.021 60.430 61.300 0.252 0.000 1.073 181 I CB 1.724 39.899 38.000 0.292 0.000 1.251 181 I HN 0.592 nan 8.210 nan 0.000 0.426 182 I N 2.043 122.637 120.570 0.040 0.000 3.067 182 I HA 1.082 5.252 4.170 -0.000 0.000 0.312 182 I C -0.171 175.759 176.117 -0.312 0.000 1.073 182 I CA -0.487 60.770 61.300 -0.073 0.000 1.016 182 I CB 2.474 40.342 38.000 -0.221 0.000 1.227 182 I HN 0.655 nan 8.210 nan 0.000 0.456 183 G N 1.672 110.108 108.800 -0.607 0.000 2.322 183 G HA2 0.465 4.425 3.960 -0.000 0.000 0.295 183 G HA3 0.465 4.425 3.960 -0.000 0.000 0.295 183 G C -2.183 172.143 174.900 -0.957 0.000 1.369 183 G CA -0.473 44.122 45.100 -0.843 0.000 0.821 183 G HN 1.136 nan 8.290 nan 0.000 0.536 184 Y N -1.541 118.518 120.300 -0.403 0.000 2.581 184 Y HA 0.885 5.435 4.550 0.000 0.000 0.345 184 Y C -0.327 175.557 175.900 -0.028 0.000 1.036 184 Y CA -1.241 56.638 58.100 -0.369 0.000 1.042 184 Y CB 1.861 40.041 38.460 -0.466 0.000 1.289 184 Y HN 0.818 nan 8.280 nan 0.000 0.471 185 T N 0.241 114.960 114.554 0.275 0.000 2.893 185 T HA 0.527 4.877 4.350 -0.000 0.000 0.291 185 T C 0.187 174.998 174.700 0.185 0.000 1.028 185 T CA 0.127 62.406 62.100 0.298 0.000 0.995 185 T CB 1.281 70.337 68.868 0.314 0.000 1.051 185 T HN 1.160 nan 8.240 nan 0.000 0.470 186 T N 0.714 115.425 114.554 0.261 0.000 3.009 186 T HA 0.315 4.665 4.350 -0.000 0.000 0.267 186 T C 0.737 175.689 174.700 0.421 0.000 0.942 186 T CA -0.415 61.861 62.100 0.293 0.000 0.883 186 T CB -0.093 68.911 68.868 0.226 0.000 1.192 186 T HN 0.608 nan 8.240 nan 0.000 0.524 187 R N 2.692 123.395 120.500 0.338 0.000 2.502 187 R HA 0.253 4.593 4.340 -0.000 0.000 0.292 187 R C -0.419 176.066 176.300 0.308 0.000 0.998 187 R CA 0.664 56.938 56.100 0.290 0.000 1.056 187 R CB 0.011 30.485 30.300 0.289 0.000 0.939 187 R HN 0.771 nan 8.270 nan 0.000 0.411 188 N N 0.220 119.048 118.700 0.213 0.000 2.934 188 N HA 0.181 4.921 4.740 -0.000 0.000 0.253 188 N C -1.235 174.312 175.510 0.063 0.000 1.466 188 N CA -0.965 52.167 53.050 0.136 0.000 0.858 188 N CB 1.681 40.141 38.487 -0.045 0.000 1.459 188 N HN 0.198 nan 8.380 nan 0.000 0.532 189 S N -1.170 114.538 115.700 0.014 0.000 2.663 189 S HA 0.653 5.123 4.470 -0.000 0.000 0.243 189 S C 0.282 174.849 174.600 -0.055 0.000 1.009 189 S CA -0.037 58.163 58.200 -0.000 0.000 0.988 189 S CB -0.445 62.767 63.200 0.021 0.000 0.896 189 S HN 1.103 nan 8.310 nan 0.000 0.502 190 G N 0.203 108.944 108.800 -0.099 0.000 2.555 190 G HA2 0.390 4.350 3.960 -0.000 0.000 0.686 190 G HA3 0.390 4.350 3.960 -0.000 0.000 0.686 190 G C 0.322 175.093 174.900 -0.215 0.000 1.275 190 G CA -0.418 44.608 45.100 -0.122 0.000 0.871 190 G HN 1.155 nan 8.290 nan 0.000 0.603 191 G N -2.319 106.364 108.800 -0.196 0.000 2.198 191 G HA2 0.285 4.245 3.960 -0.000 0.000 0.257 191 G HA3 0.285 4.245 3.960 -0.000 0.000 0.257 191 G C 0.779 175.453 174.900 -0.376 0.000 1.042 191 G CA 1.359 46.302 45.100 -0.261 0.000 0.791 191 G HN 2.447 nan 8.290 nan 0.000 0.502 192 V N -3.394 116.338 119.914 -0.303 0.000 2.914 192 V HA 0.944 5.064 4.120 -0.000 0.000 0.314 192 V C -1.834 174.210 176.094 -0.085 0.000 1.084 192 V CA -2.655 59.465 62.300 -0.300 0.000 0.963 192 V CB 1.840 33.365 31.823 -0.496 0.000 1.025 192 V HN 0.081 nan 8.190 nan 0.000 0.432 193 P HA 0.317 nan 4.420 nan 0.000 0.272 193 P C 0.662 178.051 177.300 0.149 0.000 1.240 193 P CA -0.312 62.843 63.100 0.093 0.000 0.791 193 P CB 0.582 32.359 31.700 0.129 0.000 0.978 194 E N 1.188 121.457 120.200 0.116 0.000 2.160 194 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 194 E C 1.009 177.683 176.600 0.123 0.000 0.991 194 E CA 1.218 57.682 56.400 0.107 0.000 0.810 194 E CB -0.584 29.162 29.700 0.077 0.000 0.742 194 E HN 0.524 nan 8.360 nan 0.000 0.466 195 N N 0.543 119.333 118.700 0.150 0.000 2.362 195 N HA -0.103 4.637 4.740 -0.000 0.000 0.204 195 N C -0.040 175.532 175.510 0.104 0.000 1.166 195 N CA -0.309 52.809 53.050 0.113 0.000 0.831 195 N CB -0.900 37.663 38.487 0.126 0.000 1.008 195 N HN -0.059 nan 8.380 nan 0.000 0.472 196 F N 2.371 122.344 119.950 0.040 0.000 2.571 196 F HA 0.193 4.720 4.527 -0.000 0.000 0.384 196 F C -0.008 175.681 175.800 -0.185 0.000 1.058 196 F CA 0.065 58.053 58.000 -0.022 0.000 1.200 196 F CB 0.333 39.367 39.000 0.057 0.000 1.077 196 F HN -0.028 nan 8.300 nan 0.000 0.558 197 K N 5.185 124.875 120.400 -1.184 0.000 2.527 197 K HA 0.201 4.521 4.320 -0.000 0.000 0.260 197 K C -1.412 174.420 176.600 -1.281 0.000 0.937 197 K CA -1.092 54.407 56.287 -1.313 0.000 0.826 197 K CB 1.986 33.624 32.500 -1.436 0.000 1.359 197 K HN 0.592 nan 8.250 nan 0.000 0.434 198 N N 2.628 120.761 118.700 -0.946 0.000 2.476 198 N HA 0.221 4.961 4.740 -0.000 0.000 0.257 198 N C -1.399 173.777 175.510 -0.556 0.000 0.970 198 N CA -0.337 52.322 53.050 -0.651 0.000 0.938 198 N CB 0.652 38.954 38.487 -0.308 0.000 1.144 198 N HN 0.430 nan 8.380 nan 0.000 0.500 199 Y N 3.926 123.961 120.300 -0.442 0.000 2.327 199 Y HA 0.310 4.860 4.550 -0.000 0.000 0.336 199 Y C 0.185 175.931 175.900 -0.256 0.000 1.035 199 Y CA -0.744 57.025 58.100 -0.551 0.000 1.165 199 Y CB 0.424 38.310 38.460 -0.956 0.000 1.181 199 Y HN 0.307 nan 8.280 nan 0.000 0.494 200 F N 1.371 121.309 119.950 -0.019 0.000 2.579 200 F HA 0.919 5.446 4.527 -0.000 0.000 0.324 200 F C -1.285 174.604 175.800 0.149 0.000 1.058 200 F CA -2.088 55.887 58.000 -0.043 0.000 0.944 200 F CB 1.207 39.858 39.000 -0.581 0.000 1.245 200 F HN 0.205 nan 8.300 nan 0.000 0.477 201 I N 3.042 123.857 120.570 0.409 0.000 2.569 201 I HA 0.473 4.643 4.170 -0.000 0.000 0.290 201 I C -1.200 175.093 176.117 0.294 0.000 1.088 201 I CA -0.661 60.827 61.300 0.313 0.000 1.047 201 I CB 2.373 40.512 38.000 0.231 0.000 1.237 201 I HN 0.571 nan 8.210 nan 0.000 0.421 202 I N 5.213 125.937 120.570 0.256 0.000 2.466 202 I HA 0.365 4.535 4.170 -0.000 0.000 0.289 202 I C -0.722 175.454 176.117 0.097 0.000 1.026 202 I CA -0.422 60.962 61.300 0.140 0.000 1.078 202 I CB 2.009 40.098 38.000 0.148 0.000 1.249 202 I HN 0.518 nan 8.210 nan 0.000 0.429 203 E N 5.826 126.014 120.200 -0.019 0.000 2.165 203 E HA 0.486 4.836 4.350 -0.000 0.000 0.266 203 E C -1.406 175.159 176.600 -0.059 0.000 0.889 203 E CA -0.591 55.841 56.400 0.053 0.000 0.756 203 E CB 1.941 31.682 29.700 0.067 0.000 1.131 203 E HN 0.267 nan 8.360 nan 0.000 0.411 204 F N 1.843 121.931 119.950 0.231 0.000 2.397 204 F HA 0.127 4.654 4.527 0.000 0.000 0.331 204 F C 1.408 177.280 175.800 0.120 0.000 1.090 204 F CA -0.741 57.405 58.000 0.243 0.000 1.065 204 F CB 0.933 40.192 39.000 0.432 0.000 1.184 204 F HN 0.465 nan 8.300 nan 0.000 0.499 205 D N 0.011 120.570 120.400 0.265 0.000 2.340 205 D HA -0.022 4.618 4.640 -0.000 0.000 0.220 205 D C 0.099 176.450 176.300 0.085 0.000 1.039 205 D CA 0.367 54.445 54.000 0.129 0.000 0.866 205 D CB 0.094 40.941 40.800 0.079 0.000 0.913 205 D HN 0.143 nan 8.370 nan 0.000 0.523 206 K N 1.054 121.531 120.400 0.127 0.000 2.471 206 K HA 0.367 4.687 4.320 -0.000 0.000 0.252 206 K C -3.034 173.583 176.600 0.029 0.000 0.938 206 K CA -2.091 54.190 56.287 -0.010 0.000 0.796 206 K CB 2.357 34.719 32.500 -0.230 0.000 1.161 206 K HN -0.149 nan 8.250 nan 0.000 0.425 207 P HA 0.096 nan 4.420 nan 0.000 0.269 207 P C -0.658 176.699 177.300 0.096 0.000 1.209 207 P CA -0.072 62.949 63.100 -0.132 0.000 0.776 207 P CB 0.177 31.828 31.700 -0.082 0.000 0.876 208 F N 0.259 120.279 119.950 0.118 0.000 2.412 208 F HA 0.245 4.772 4.527 -0.000 0.000 0.348 208 F C 1.814 177.645 175.800 0.052 0.000 1.102 208 F CA -0.088 57.950 58.000 0.063 0.000 1.196 208 F CB -0.249 38.727 39.000 -0.041 0.000 1.144 208 F HN 0.196 nan 8.300 nan 0.000 0.541 209 T N 1.263 115.965 114.554 0.248 0.000 2.985 209 T HA 0.068 4.418 4.350 -0.000 0.000 0.254 209 T C -1.077 173.730 174.700 0.178 0.000 1.021 209 T CA 0.336 62.533 62.100 0.161 0.000 0.957 209 T CB -0.268 68.675 68.868 0.126 0.000 1.047 209 T HN 0.462 nan 8.240 nan 0.000 0.511 210 Y N 2.550 122.855 120.300 0.009 0.000 2.492 210 Y HA 0.555 5.105 4.550 -0.000 0.000 0.346 210 Y C -1.553 174.298 175.900 -0.082 0.000 0.997 210 Y CA -1.432 56.664 58.100 -0.007 0.000 1.025 210 Y CB 1.149 39.641 38.460 0.053 0.000 1.263 210 Y HN -0.058 nan 8.280 nan 0.000 0.454 211 K N 4.346 124.390 120.400 -0.594 0.000 2.525 211 K HA 0.960 5.280 4.320 -0.000 0.000 0.254 211 K C -2.126 174.113 176.600 -0.602 0.000 0.934 211 K CA -1.067 54.940 56.287 -0.466 0.000 0.802 211 K CB 2.200 34.555 32.500 -0.242 0.000 1.295 211 K HN 0.826 nan 8.250 nan 0.000 0.433 212 A N 1.340 123.929 122.820 -0.385 0.000 2.540 212 A HA 0.620 4.940 4.320 -0.000 0.000 0.297 212 A C -0.698 176.773 177.584 -0.188 0.000 1.056 212 A CA -0.680 51.187 52.037 -0.285 0.000 0.700 212 A CB 1.594 20.456 19.000 -0.231 0.000 1.280 212 A HN 0.832 nan 8.150 nan 0.000 0.398 213 T N -1.071 113.374 114.554 -0.181 0.000 2.944 213 T HA 0.767 5.117 4.350 -0.000 0.000 0.284 213 T C -0.325 174.242 174.700 -0.222 0.000 1.010 213 T CA -0.676 61.313 62.100 -0.185 0.000 1.025 213 T CB 1.393 70.157 68.868 -0.172 0.000 1.079 213 T HN 1.055 nan 8.240 nan 0.000 0.516 214 V N 1.459 121.187 119.914 -0.310 0.000 2.588 214 V HA 0.565 4.685 4.120 -0.000 0.000 0.304 214 V C -0.288 175.579 176.094 -0.379 0.000 1.042 214 V CA -0.802 61.235 62.300 -0.437 0.000 0.877 214 V CB 1.550 32.839 31.823 -0.892 0.000 0.996 214 V HN 1.038 nan 8.190 nan 0.000 0.425 215 E N 4.520 124.552 120.200 -0.279 0.000 2.186 215 E HA 0.261 4.611 4.350 -0.000 0.000 0.255 215 E C -0.430 176.074 176.600 -0.161 0.000 0.881 215 E CA -0.522 55.769 56.400 -0.182 0.000 0.752 215 E CB 0.730 30.361 29.700 -0.114 0.000 1.176 215 E HN 0.739 nan 8.360 nan 0.000 0.421 216 N N 3.707 122.323 118.700 -0.140 0.000 2.708 216 N HA -0.258 4.482 4.740 -0.000 0.000 0.251 216 N C 0.771 176.218 175.510 -0.106 0.000 1.017 216 N CA 1.526 54.531 53.050 -0.075 0.000 0.742 216 N CB -1.452 37.032 38.487 -0.005 0.000 0.943 216 N HN 0.938 nan 8.380 nan 0.000 0.539 217 G N -0.753 107.916 108.800 -0.218 0.000 2.217 217 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.246 217 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.246 217 G C -0.125 174.697 174.900 -0.130 0.000 0.990 217 G CA 0.258 45.277 45.100 -0.135 0.000 0.627 217 G HN 0.700 nan 8.290 nan 0.000 0.522 218 N N 0.657 119.269 118.700 -0.146 0.000 2.408 218 N HA 0.404 5.144 4.740 -0.000 0.000 0.257 218 N C -0.152 175.269 175.510 -0.148 0.000 1.064 218 N CA -0.553 52.427 53.050 -0.116 0.000 0.952 218 N CB 0.703 39.137 38.487 -0.088 0.000 1.093 218 N HN 0.224 nan 8.380 nan 0.000 0.490 219 L N 3.589 124.740 121.223 -0.119 0.000 2.360 219 L HA 0.148 4.488 4.340 -0.000 0.000 0.276 219 L C -0.322 176.487 176.870 -0.102 0.000 1.121 219 L CA 0.505 55.274 54.840 -0.118 0.000 0.845 219 L CB 0.588 42.600 42.059 -0.077 0.000 1.143 219 L HN 0.536 nan 8.230 nan 0.000 0.452 220 Q N 4.536 124.263 119.800 -0.122 0.000 2.616 220 Q HA 0.240 4.580 4.340 -0.000 0.000 0.250 220 Q C -0.885 175.030 176.000 -0.143 0.000 0.991 220 Q CA -0.300 55.434 55.803 -0.115 0.000 0.707 220 Q CB 1.316 29.988 28.738 -0.111 0.000 1.247 220 Q HN 0.623 nan 8.270 nan 0.000 0.491 221 E N 2.193 122.304 120.200 -0.150 0.000 2.414 221 E HA -0.056 4.294 4.350 -0.000 0.000 0.263 221 E C 0.032 176.515 176.600 -0.194 0.000 1.000 221 E CA 0.251 56.509 56.400 -0.236 0.000 0.914 221 E CB 0.372 29.937 29.700 -0.226 0.000 0.948 221 E HN 0.506 nan 8.360 nan 0.000 0.444 222 N N 1.189 119.752 118.700 -0.228 0.000 2.815 222 N HA -0.184 4.556 4.740 -0.000 0.000 0.247 222 N C -0.934 174.509 175.510 -0.112 0.000 1.030 222 N CA 0.946 53.904 53.050 -0.154 0.000 0.881 222 N CB -1.270 37.146 38.487 -0.119 0.000 1.134 222 N HN 0.186 nan 8.380 nan 0.000 0.582 223 V N 0.780 120.622 119.914 -0.119 0.000 2.432 223 V HA 0.462 4.582 4.120 -0.000 0.000 0.271 223 V C 1.590 177.622 176.094 -0.102 0.000 1.046 223 V CA 0.360 62.602 62.300 -0.096 0.000 0.945 223 V CB 1.441 33.208 31.823 -0.093 0.000 0.992 223 V HN 0.326 nan 8.190 nan 0.000 0.471 224 A N 3.999 126.771 122.820 -0.080 0.000 2.021 224 A HA 0.138 4.458 4.320 -0.000 0.000 0.216 224 A C 0.870 178.394 177.584 -0.101 0.000 1.163 224 A CA 0.653 52.643 52.037 -0.078 0.000 0.676 224 A CB 0.065 19.036 19.000 -0.048 0.000 0.818 224 A HN 0.805 nan 8.150 nan 0.000 0.453 225 E N -0.346 119.799 120.200 -0.093 0.000 2.331 225 E HA 0.428 4.778 4.350 -0.000 0.000 0.275 225 E C -1.584 174.964 176.600 -0.087 0.000 0.895 225 E CA -0.670 55.669 56.400 -0.103 0.000 0.753 225 E CB 1.015 30.706 29.700 -0.015 0.000 1.216 225 E HN 0.218 nan 8.360 nan 0.000 0.434 226 Q N 1.601 121.328 119.800 -0.121 0.000 2.359 226 Q HA 0.442 4.782 4.340 -0.000 0.000 0.274 226 Q C -1.324 174.695 176.000 0.032 0.000 1.074 226 Q CA -0.753 55.016 55.803 -0.056 0.000 0.810 226 Q CB 2.465 31.145 28.738 -0.098 0.000 1.342 226 Q HN 0.531 nan 8.270 nan 0.000 0.427 227 T N 1.362 115.965 114.554 0.081 0.000 2.963 227 T HA 0.568 4.918 4.350 -0.000 0.000 0.328 227 T C -0.530 174.215 174.700 0.075 0.000 1.048 227 T CA -0.345 61.828 62.100 0.121 0.000 1.033 227 T CB 1.161 70.117 68.868 0.146 0.000 1.010 227 T HN 0.568 nan 8.240 nan 0.000 0.469 228 T N 0.962 115.558 114.554 0.070 0.000 2.718 228 T HA 0.294 4.644 4.350 -0.000 0.000 0.306 228 T C 0.539 175.297 174.700 0.097 0.000 1.485 228 T CA -0.394 61.746 62.100 0.067 0.000 0.997 228 T CB 1.810 70.697 68.868 0.033 0.000 1.504 228 T HN 0.444 nan 8.240 nan 0.000 0.497 229 D N 0.503 120.963 120.400 0.099 0.000 2.127 229 D HA -0.146 4.494 4.640 -0.000 0.000 0.190 229 D C 0.661 177.066 176.300 0.176 0.000 1.000 229 D CA 1.858 55.931 54.000 0.122 0.000 0.839 229 D CB -0.075 40.788 40.800 0.107 0.000 0.955 229 D HN 0.578 nan 8.370 nan 0.000 0.446 230 H N -0.692 118.413 119.070 0.059 0.000 2.786 230 H HA 0.593 5.149 4.556 0.000 0.000 0.284 230 H C -1.208 174.128 175.328 0.012 0.000 1.104 230 H CA -0.923 55.172 56.048 0.078 0.000 1.339 230 H CB 0.737 30.554 29.762 0.092 0.000 1.427 230 H HN 0.215 nan 8.280 nan 0.000 0.497 231 A N 3.511 126.488 122.820 0.261 0.000 2.304 231 A HA 0.742 5.062 4.320 -0.000 0.000 0.301 231 A C 0.174 177.800 177.584 0.069 0.000 1.132 231 A CA 0.140 52.209 52.037 0.052 0.000 0.819 231 A CB 1.107 20.110 19.000 0.006 0.000 1.094 231 A HN 0.778 nan 8.150 nan 0.000 0.492 232 G N -1.247 107.450 108.800 -0.170 0.000 2.649 232 G HA2 0.778 4.738 3.960 -0.000 0.000 0.290 232 G HA3 0.778 4.738 3.960 -0.000 0.000 0.290 232 G C -1.087 173.742 174.900 -0.118 0.000 1.426 232 G CA 0.105 45.150 45.100 -0.092 0.000 0.794 232 G HN 1.749 nan 8.290 nan 0.000 0.483 233 A N -0.302 122.542 122.820 0.040 0.000 2.475 233 A HA 0.840 5.160 4.320 -0.000 0.000 0.301 233 A C -1.108 176.496 177.584 0.032 0.000 1.059 233 A CA -0.587 51.439 52.037 -0.018 0.000 0.710 233 A CB 1.296 20.285 19.000 -0.018 0.000 1.288 233 A HN 0.767 nan 8.150 nan 0.000 0.408 234 I N 2.765 123.319 120.570 -0.027 0.000 2.439 234 I HA 0.401 4.571 4.170 -0.000 0.000 0.285 234 I C -0.955 175.141 176.117 -0.036 0.000 1.021 234 I CA -0.607 60.692 61.300 -0.002 0.000 1.091 234 I CB 1.629 39.639 38.000 0.016 0.000 1.242 234 I HN 0.676 nan 8.210 nan 0.000 0.439 235 I N 2.934 123.382 120.570 -0.202 0.000 2.648 235 I HA 1.025 5.195 4.170 -0.000 0.000 0.304 235 I C 0.128 176.014 176.117 -0.385 0.000 1.009 235 I CA -0.271 60.784 61.300 -0.408 0.000 1.114 235 I CB 1.897 39.189 38.000 -1.179 0.000 1.293 235 I HN 0.511 nan 8.210 nan 0.000 0.449 236 G N 3.107 111.680 108.800 -0.379 0.000 2.680 236 G HA2 0.891 4.851 3.960 -0.000 0.000 0.290 236 G HA3 0.891 4.851 3.960 -0.000 0.000 0.290 236 G C -1.367 173.031 174.900 -0.835 0.000 1.355 236 G CA -0.907 43.742 45.100 -0.751 0.000 0.903 236 G HN 0.913 nan 8.290 nan 0.000 0.474 237 F N -2.353 117.402 119.950 -0.325 0.000 2.900 237 F HA 0.600 5.127 4.527 0.000 0.000 0.321 237 F C -0.702 174.885 175.800 -0.354 0.000 1.160 237 F CA -1.533 56.318 58.000 -0.248 0.000 0.890 237 F CB 1.526 40.419 39.000 -0.177 0.000 1.334 237 F HN 0.367 nan 8.300 nan 0.000 0.459 238 K N 1.261 121.675 120.400 0.023 0.000 2.172 238 K HA 0.622 4.942 4.320 -0.000 0.000 0.276 238 K C -0.874 175.655 176.600 -0.119 0.000 1.013 238 K CA -0.365 55.860 56.287 -0.103 0.000 0.913 238 K CB 1.880 34.320 32.500 -0.100 0.000 1.055 238 K HN 0.814 nan 8.250 nan 0.000 0.461 239 T N 0.412 114.886 114.554 -0.132 0.000 2.876 239 T HA 0.471 4.821 4.350 -0.000 0.000 0.289 239 T C -0.116 174.560 174.700 -0.039 0.000 1.014 239 T CA -1.099 60.934 62.100 -0.111 0.000 0.986 239 T CB 1.604 70.397 68.868 -0.126 0.000 1.021 239 T HN 0.464 nan 8.240 nan 0.000 0.458 240 R N 0.888 121.377 120.500 -0.019 0.000 2.577 240 R HA 0.387 4.727 4.340 -0.000 0.000 0.269 240 R C 0.329 176.658 176.300 0.048 0.000 1.084 240 R CA -1.000 55.105 56.100 0.008 0.000 1.163 240 R CB 0.727 31.029 30.300 0.003 0.000 1.100 240 R HN 0.645 nan 8.270 nan 0.000 0.547 241 K N 0.915 121.345 120.400 0.051 0.000 2.453 241 K HA -0.082 4.238 4.320 -0.000 0.000 0.280 241 K C 0.542 177.188 176.600 0.077 0.000 1.045 241 K CA 1.252 57.582 56.287 0.071 0.000 1.059 241 K CB 0.046 32.580 32.500 0.055 0.000 0.901 241 K HN 0.828 nan 8.250 nan 0.000 0.475 242 G N 2.937 111.801 108.800 0.107 0.000 2.162 242 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.260 242 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.260 242 G C -0.025 174.939 174.900 0.106 0.000 0.976 242 G CA 0.498 45.658 45.100 0.101 0.000 0.655 242 G HN 0.752 nan 8.290 nan 0.000 0.533 243 E N 0.787 121.058 120.200 0.119 0.000 2.376 243 E HA 0.323 4.673 4.350 -0.000 0.000 0.266 243 E C 0.453 177.157 176.600 0.174 0.000 1.009 243 E CA 0.005 56.467 56.400 0.103 0.000 0.902 243 E CB 0.192 29.922 29.700 0.050 0.000 0.972 243 E HN 0.544 nan 8.360 nan 0.000 0.439 244 Q N 2.521 122.396 119.800 0.125 0.000 2.271 244 Q HA 0.410 4.750 4.340 -0.000 0.000 0.258 244 Q C -1.076 175.016 176.000 0.154 0.000 0.936 244 Q CA -0.822 55.073 55.803 0.154 0.000 0.909 244 Q CB 2.242 31.033 28.738 0.088 0.000 1.253 244 Q HN 0.316 nan 8.270 nan 0.000 0.440 245 V N 3.119 123.196 119.914 0.271 0.000 2.444 245 V HA 0.323 4.443 4.120 -0.000 0.000 0.294 245 V C -0.388 175.872 176.094 0.278 0.000 1.022 245 V CA -0.956 61.519 62.300 0.290 0.000 0.850 245 V CB 1.619 33.715 31.823 0.455 0.000 0.992 245 V HN 0.749 nan 8.190 nan 0.000 0.426 246 N N 2.965 121.772 118.700 0.178 0.000 2.443 246 N HA 0.736 5.476 4.740 -0.000 0.000 0.295 246 N C -0.475 175.073 175.510 0.063 0.000 1.076 246 N CA -0.295 52.791 53.050 0.059 0.000 0.919 246 N CB 2.525 41.020 38.487 0.013 0.000 1.176 246 N HN 0.799 nan 8.380 nan 0.000 0.487 247 A N 2.388 125.161 122.820 -0.078 0.000 2.332 247 A HA 0.466 4.786 4.320 -0.000 0.000 0.300 247 A C -0.282 177.217 177.584 -0.140 0.000 1.153 247 A CA -0.724 51.164 52.037 -0.248 0.000 0.764 247 A CB 0.798 19.578 19.000 -0.366 0.000 1.174 247 A HN 0.592 nan 8.150 nan 0.000 0.467 248 R N 1.674 122.104 120.500 -0.117 0.000 2.254 248 R HA 0.648 4.988 4.340 -0.000 0.000 0.318 248 R C -0.902 175.397 176.300 -0.001 0.000 1.031 248 R CA 0.103 56.178 56.100 -0.042 0.000 0.905 248 R CB 1.040 31.334 30.300 -0.010 0.000 1.050 248 R HN 0.671 nan 8.270 nan 0.000 0.456 249 I N 1.792 122.389 120.570 0.046 0.000 2.533 249 I HA 0.596 4.766 4.170 -0.000 0.000 0.290 249 I C -0.542 175.708 176.117 0.223 0.000 1.056 249 I CA -0.840 60.557 61.300 0.163 0.000 1.057 249 I CB 2.201 40.320 38.000 0.199 0.000 1.240 249 I HN 0.645 nan 8.210 nan 0.000 0.423 250 A N 3.982 126.977 122.820 0.292 0.000 2.515 250 A HA 0.927 5.247 4.320 -0.000 0.000 0.296 250 A C -0.689 177.098 177.584 0.339 0.000 1.094 250 A CA -0.477 51.733 52.037 0.289 0.000 0.718 250 A CB 2.147 21.260 19.000 0.188 0.000 1.307 250 A HN 0.740 nan 8.150 nan 0.000 0.408 251 S N -0.164 115.701 115.700 0.275 0.000 2.651 251 S HA 0.906 5.376 4.470 -0.000 0.000 0.279 251 S C -0.564 174.028 174.600 -0.014 0.000 1.148 251 S CA 0.018 58.321 58.200 0.170 0.000 0.837 251 S CB 1.624 64.969 63.200 0.241 0.000 1.138 251 S HN 2.111 nan 8.310 nan 0.000 0.478 252 S N -0.593 115.012 115.700 -0.158 0.000 2.550 252 S HA 0.649 5.119 4.470 -0.000 0.000 0.270 252 S C -1.243 173.146 174.600 -0.352 0.000 1.145 252 S CA -0.722 57.355 58.200 -0.205 0.000 0.852 252 S CB 0.794 63.955 63.200 -0.065 0.000 1.119 252 S HN 0.647 nan 8.310 nan 0.000 0.465 253 F N 2.185 122.086 119.950 -0.082 0.000 2.727 253 F HA 0.449 4.976 4.527 -0.000 0.000 0.302 253 F C 1.216 176.918 175.800 -0.164 0.000 1.097 253 F CA -0.009 57.867 58.000 -0.206 0.000 1.330 253 F CB 0.178 39.023 39.000 -0.259 0.000 1.084 253 F HN 0.417 nan 8.300 nan 0.000 0.578 254 I N -1.597 119.024 120.570 0.086 0.000 3.136 254 I HA 0.092 4.262 4.170 -0.000 0.000 0.262 254 I C 0.699 176.646 176.117 -0.283 0.000 1.132 254 I CA 0.373 61.684 61.300 0.018 0.000 1.450 254 I CB 0.297 38.318 38.000 0.034 0.000 1.315 254 I HN 0.038 nan 8.210 nan 0.000 0.460 255 S N -1.698 113.649 115.700 -0.589 0.000 2.643 255 S HA 0.286 4.756 4.470 -0.000 0.000 0.266 255 S C 0.010 174.110 174.600 -0.833 0.000 1.130 255 S CA -0.714 56.796 58.200 -1.150 0.000 0.817 255 S CB 0.303 63.184 63.200 -0.531 0.000 1.107 255 S HN 0.022 nan 8.310 nan 0.000 0.471 256 F N 1.439 121.041 119.950 -0.579 0.000 2.134 256 F HA 0.099 4.626 4.527 -0.000 0.000 0.299 256 F C 3.174 178.901 175.800 -0.123 0.000 1.097 256 F CA 2.199 60.072 58.000 -0.211 0.000 1.264 256 F CB -1.068 37.861 39.000 -0.120 0.000 1.001 256 F HN 0.925 nan 8.300 nan 0.000 0.479 257 E N -0.045 120.179 120.200 0.039 0.000 2.077 257 E HA -0.274 4.076 4.350 -0.000 0.000 0.193 257 E C 1.951 178.556 176.600 0.009 0.000 0.989 257 E CA 1.590 58.005 56.400 0.024 0.000 0.800 257 E CB -0.997 28.702 29.700 -0.002 0.000 0.746 257 E HN 0.426 nan 8.360 nan 0.000 0.452 258 Q N -0.353 119.425 119.800 -0.037 0.000 2.123 258 Q HA 0.196 4.536 4.340 -0.000 0.000 0.199 258 Q C 2.269 178.275 176.000 0.011 0.000 0.966 258 Q CA 1.832 57.625 55.803 -0.018 0.000 0.845 258 Q CB -0.437 28.277 28.738 -0.041 0.000 0.907 258 Q HN 0.532 nan 8.270 nan 0.000 0.439 259 A N 0.365 123.191 122.820 0.009 0.000 1.902 259 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 259 A C 2.287 179.931 177.584 0.100 0.000 1.181 259 A CA 1.873 53.952 52.037 0.069 0.000 0.623 259 A CB -1.172 17.892 19.000 0.106 0.000 0.818 259 A HN 0.502 nan 8.150 nan 0.000 0.443 260 A N -0.140 122.739 122.820 0.099 0.000 1.902 260 A HA 0.133 4.453 4.320 -0.000 0.000 0.217 260 A C 2.506 180.131 177.584 0.069 0.000 1.181 260 A CA 2.165 54.255 52.037 0.088 0.000 0.623 260 A CB -1.009 18.038 19.000 0.079 0.000 0.818 260 A HN 1.065 nan 8.150 nan 0.000 0.443 261 A N 0.414 123.268 122.820 0.057 0.000 1.877 261 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 261 A C 1.861 179.482 177.584 0.061 0.000 1.186 261 A CA 1.853 53.921 52.037 0.053 0.000 0.620 261 A CB -0.711 18.316 19.000 0.044 0.000 0.822 261 A HN 0.535 nan 8.150 nan 0.000 0.443 262 N N -0.755 117.985 118.700 0.067 0.000 2.192 262 N HA -0.199 4.541 4.740 -0.000 0.000 0.188 262 N C 1.495 177.056 175.510 0.085 0.000 1.013 262 N CA 1.807 54.904 53.050 0.077 0.000 0.863 262 N CB -0.507 38.029 38.487 0.082 0.000 0.990 262 N HN 0.552 nan 8.380 nan 0.000 0.430 263 M N 1.095 120.747 119.600 0.087 0.000 2.202 263 M HA -0.047 4.433 4.480 -0.000 0.000 0.262 263 M C 1.088 177.426 176.300 0.064 0.000 1.063 263 M CA 1.297 56.647 55.300 0.084 0.000 1.097 263 M CB -0.218 32.434 32.600 0.086 0.000 1.382 263 M HN 0.036 nan 8.290 nan 0.000 0.413 264 N N 0.412 119.148 118.700 0.059 0.000 2.348 264 N HA -0.186 4.554 4.740 -0.000 0.000 0.185 264 N C 1.397 176.936 175.510 0.049 0.000 1.019 264 N CA 1.322 54.401 53.050 0.050 0.000 0.880 264 N CB -0.325 38.190 38.487 0.047 0.000 0.965 264 N HN 0.610 nan 8.380 nan 0.000 0.437 265 E N 0.553 120.788 120.200 0.057 0.000 2.187 265 E HA -0.156 4.194 4.350 -0.000 0.000 0.199 265 E C 1.714 178.341 176.600 0.045 0.000 1.004 265 E CA 0.757 57.191 56.400 0.057 0.000 0.813 265 E CB -0.082 29.659 29.700 0.069 0.000 0.736 265 E HN 0.388 nan 8.360 nan 0.000 0.468 266 L N -0.431 120.816 121.223 0.040 0.000 2.291 266 L HA 0.019 4.359 4.340 -0.000 0.000 0.214 266 L C 1.696 178.578 176.870 0.020 0.000 1.120 266 L CA 0.329 55.184 54.840 0.024 0.000 0.799 266 L CB -0.925 41.144 42.059 0.016 0.000 0.925 266 L HN 0.260 nan 8.230 nan 0.000 0.446 267 G N 1.124 109.939 108.800 0.025 0.000 2.634 267 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.309 267 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.309 267 G C 0.670 175.580 174.900 0.016 0.000 1.265 267 G CA 0.681 45.794 45.100 0.021 0.000 0.998 267 G HN 0.378 nan 8.290 nan 0.000 0.551 268 K N 1.112 121.518 120.400 0.011 0.000 2.414 268 K HA 0.190 4.510 4.320 -0.000 0.000 0.204 268 K C -0.410 176.191 176.600 0.001 0.000 1.026 268 K CA -0.219 56.072 56.287 0.007 0.000 1.108 268 K CB 0.496 33.000 32.500 0.007 0.000 0.855 268 K HN 0.430 nan 8.250 nan 0.000 0.517 269 D N 2.856 123.256 120.400 -0.000 0.000 2.449 269 D HA -0.046 4.594 4.640 -0.000 0.000 0.236 269 D C 0.288 176.581 176.300 -0.012 0.000 1.149 269 D CA 0.508 54.504 54.000 -0.006 0.000 0.878 269 D CB 0.529 41.326 40.800 -0.005 0.000 1.198 269 D HN 0.230 nan 8.370 nan 0.000 0.446 270 N N 0.571 119.262 118.700 -0.016 0.000 2.491 270 N HA 0.160 4.899 4.740 -0.000 0.000 0.279 270 N C 1.071 176.567 175.510 -0.023 0.000 1.236 270 N CA -0.638 52.400 53.050 -0.020 0.000 0.982 270 N CB 0.640 39.117 38.487 -0.017 0.000 1.194 270 N HN 0.124 nan 8.380 nan 0.000 0.582 271 I N -0.235 120.321 120.570 -0.024 0.000 2.151 271 I HA -0.243 3.927 4.170 -0.000 0.000 0.243 271 I C 1.670 177.781 176.117 -0.010 0.000 1.080 271 I CA 1.732 63.028 61.300 -0.007 0.000 1.339 271 I CB -1.096 36.914 38.000 0.016 0.000 1.039 271 I HN 0.588 nan 8.210 nan 0.000 0.409 272 E N 0.627 120.805 120.200 -0.037 0.000 2.077 272 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 272 E C 2.251 178.816 176.600 -0.059 0.000 0.989 272 E CA 1.183 57.543 56.400 -0.068 0.000 0.800 272 E CB -0.263 29.398 29.700 -0.066 0.000 0.746 272 E HN 0.544 nan 8.360 nan 0.000 0.452 273 Q N -0.294 119.482 119.800 -0.040 0.000 2.123 273 Q HA -0.011 4.329 4.340 -0.000 0.000 0.199 273 Q C 2.220 178.204 176.000 -0.026 0.000 0.966 273 Q CA 0.833 56.615 55.803 -0.036 0.000 0.845 273 Q CB -0.040 28.683 28.738 -0.025 0.000 0.907 273 Q HN 0.259 nan 8.270 nan 0.000 0.439 274 L N 0.133 121.349 121.223 -0.011 0.000 2.093 274 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 274 L C 2.478 179.370 176.870 0.036 0.000 1.085 274 L CA 0.765 55.611 54.840 0.010 0.000 0.755 274 L CB -0.527 41.536 42.059 0.008 0.000 0.904 274 L HN 0.218 nan 8.230 nan 0.000 0.435 275 A N -0.291 122.556 122.820 0.045 0.000 1.908 275 A HA -0.304 4.016 4.320 -0.000 0.000 0.218 275 A C 2.213 179.734 177.584 -0.106 0.000 1.181 275 A CA 2.002 54.102 52.037 0.103 0.000 0.627 275 A CB -0.545 18.487 19.000 0.054 0.000 0.818 275 A HN 0.388 nan 8.150 nan 0.000 0.445 276 Q N 0.071 119.791 119.800 -0.133 0.000 2.084 276 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 276 Q C 1.937 177.851 176.000 -0.144 0.000 0.978 276 Q CA 2.212 57.905 55.803 -0.184 0.000 0.844 276 Q CB -0.271 28.393 28.738 -0.124 0.000 0.898 276 Q HN 0.696 nan 8.270 nan 0.000 0.426 277 K N -1.162 119.198 120.400 -0.068 0.000 2.057 277 K HA -0.056 4.264 4.320 -0.000 0.000 0.207 277 K C 2.022 178.621 176.600 -0.002 0.000 1.049 277 K CA 1.118 57.390 56.287 -0.026 0.000 0.931 277 K CB -0.442 32.059 32.500 0.002 0.000 0.714 277 K HN 0.383 nan 8.250 nan 0.000 0.440 278 G N 1.862 110.684 108.800 0.037 0.000 2.402 278 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.216 278 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.216 278 G C 1.439 176.428 174.900 0.149 0.000 1.162 278 G CA 0.723 45.922 45.100 0.165 0.000 0.777 278 G HN 0.234 nan 8.290 nan 0.000 0.539 279 K N 0.291 120.531 120.400 -0.267 0.000 2.057 279 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 279 K C 1.927 178.473 176.600 -0.090 0.000 1.049 279 K CA 1.612 57.609 56.287 -0.484 0.000 0.931 279 K CB -0.132 31.741 32.500 -1.045 0.000 0.714 279 K HN 0.109 nan 8.250 nan 0.000 0.440 280 D N 0.430 120.784 120.400 -0.078 0.000 2.117 280 D HA -0.126 4.514 4.640 -0.000 0.000 0.197 280 D C 1.788 178.119 176.300 0.052 0.000 0.987 280 D CA 1.410 55.409 54.000 -0.003 0.000 0.829 280 D CB -0.250 40.537 40.800 -0.022 0.000 0.961 280 D HN 0.367 nan 8.370 nan 0.000 0.460 281 A N -0.171 122.671 122.820 0.036 0.000 1.933 281 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 281 A C 2.121 179.671 177.584 -0.056 0.000 1.175 281 A CA 1.043 53.066 52.037 -0.022 0.000 0.628 281 A CB -1.072 17.880 19.000 -0.081 0.000 0.814 281 A HN 0.291 nan 8.150 nan 0.000 0.444 282 W N 0.207 121.547 121.300 0.067 0.000 2.409 282 W HA -0.054 4.606 4.660 -0.000 0.000 0.299 282 W C 2.113 178.709 176.519 0.129 0.000 1.203 282 W CA 0.886 58.285 57.345 0.090 0.000 1.298 282 W CB -0.167 29.369 29.460 0.127 0.000 1.127 282 W HN 0.288 nan 8.180 nan 0.000 0.528 283 N N 0.362 119.274 118.700 0.353 0.000 2.223 283 N HA -0.208 4.532 4.740 -0.000 0.000 0.185 283 N C 1.563 177.251 175.510 0.296 0.000 1.016 283 N CA 1.596 54.884 53.050 0.397 0.000 0.863 283 N CB -0.669 38.024 38.487 0.344 0.000 0.983 283 N HN 0.281 nan 8.380 nan 0.000 0.429 284 Q N 1.082 120.996 119.800 0.189 0.000 2.061 284 Q HA -0.113 4.227 4.340 -0.000 0.000 0.204 284 Q C 1.937 178.020 176.000 0.140 0.000 0.984 284 Q CA 1.992 57.876 55.803 0.135 0.000 0.846 284 Q CB -0.079 28.716 28.738 0.095 0.000 0.902 284 Q HN 0.295 nan 8.270 nan 0.000 0.421 285 V N -2.175 117.827 119.914 0.147 0.000 2.446 285 V HA -0.027 4.093 4.120 -0.000 0.000 0.244 285 V C 2.223 178.465 176.094 0.247 0.000 1.039 285 V CA 1.223 63.658 62.300 0.224 0.000 1.045 285 V CB -0.824 31.018 31.823 0.033 0.000 0.681 285 V HN 0.342 nan 8.190 nan 0.000 0.459 286 L N 1.719 123.077 121.223 0.225 0.000 2.083 286 L HA 0.042 4.382 4.340 -0.000 0.000 0.209 286 L C 2.673 179.446 176.870 -0.162 0.000 1.083 286 L CA 1.701 56.666 54.840 0.209 0.000 0.752 286 L CB -1.127 41.136 42.059 0.341 0.000 0.899 286 L HN 0.516 nan 8.230 nan 0.000 0.433 287 G N -0.717 107.811 108.800 -0.454 0.000 2.776 287 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.209 287 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.209 287 G C 1.503 176.147 174.900 -0.427 0.000 1.145 287 G CA 0.004 44.417 45.100 -1.144 0.000 0.791 287 G HN 0.111 nan 8.290 nan 0.000 0.530 288 K N 0.065 120.384 120.400 -0.135 0.000 2.439 288 K HA 0.131 4.451 4.320 -0.000 0.000 0.197 288 K C 0.530 177.044 176.600 -0.143 0.000 1.041 288 K CA 0.351 56.609 56.287 -0.049 0.000 0.970 288 K CB 0.242 32.713 32.500 -0.049 0.000 0.773 288 K HN 0.375 nan 8.250 nan 0.000 0.479 289 I N 1.660 122.142 120.570 -0.147 0.000 2.439 289 I HA 0.173 4.343 4.170 -0.000 0.000 0.283 289 I C -0.667 175.359 176.117 -0.151 0.000 1.023 289 I CA -0.444 60.776 61.300 -0.134 0.000 1.100 289 I CB 1.731 39.753 38.000 0.037 0.000 1.238 289 I HN -0.167 nan 8.210 nan 0.000 0.445 290 E N 6.098 126.186 120.200 -0.186 0.000 2.133 290 E HA 0.465 4.815 4.350 -0.000 0.000 0.274 290 E C -0.716 175.779 176.600 -0.175 0.000 0.930 290 E CA -0.690 55.668 56.400 -0.070 0.000 0.770 290 E CB 2.616 32.354 29.700 0.063 0.000 1.104 290 E HN 0.460 nan 8.360 nan 0.000 0.403 291 V N 0.588 120.343 119.914 -0.266 0.000 2.667 291 V HA 0.679 4.799 4.120 -0.000 0.000 0.308 291 V C -0.382 175.501 176.094 -0.351 0.000 1.048 291 V CA -0.654 61.292 62.300 -0.590 0.000 0.928 291 V CB 1.549 32.428 31.823 -1.573 0.000 1.004 291 V HN 0.797 nan 8.190 nan 0.000 0.444 292 E N 1.645 121.723 120.200 -0.204 0.000 2.449 292 E HA 0.691 5.041 4.350 -0.000 0.000 0.278 292 E C 0.289 177.005 176.600 0.193 0.000 0.992 292 E CA -0.871 55.557 56.400 0.048 0.000 0.807 292 E CB 1.545 31.260 29.700 0.026 0.000 1.350 292 E HN 1.902 nan 8.360 nan 0.000 0.462 293 G N -0.398 108.558 108.800 0.261 0.000 2.182 293 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.248 293 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.248 293 G C 0.179 175.205 174.900 0.211 0.000 1.042 293 G CA 0.098 45.317 45.100 0.199 0.000 0.775 293 G HN 0.858 nan 8.290 nan 0.000 0.501 294 G N -0.577 108.351 108.800 0.213 0.000 3.013 294 G HA2 0.755 4.715 3.960 -0.000 0.000 0.278 294 G HA3 0.755 4.715 3.960 -0.000 0.000 0.278 294 G C -0.159 174.497 174.900 -0.406 0.000 1.353 294 G CA -0.077 44.977 45.100 -0.077 0.000 1.043 294 G HN 0.968 nan 8.290 nan 0.000 0.523 295 N N -1.383 117.075 118.700 -0.403 0.000 2.476 295 N HA 0.307 5.047 4.740 -0.000 0.000 0.276 295 N C 1.045 176.301 175.510 -0.424 0.000 1.204 295 N CA -0.846 52.020 53.050 -0.306 0.000 0.974 295 N CB 1.323 39.727 38.487 -0.139 0.000 1.204 295 N HN 0.286 nan 8.380 nan 0.000 0.543 296 L N -0.036 121.113 121.223 -0.123 0.000 2.079 296 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 296 L C 1.007 177.904 176.870 0.046 0.000 1.081 296 L CA 1.893 56.764 54.840 0.052 0.000 0.752 296 L CB -0.946 41.205 42.059 0.154 0.000 0.896 296 L HN 0.604 nan 8.230 nan 0.000 0.433 297 D N -0.805 119.597 120.400 0.002 0.000 2.104 297 D HA -0.231 4.409 4.640 -0.000 0.000 0.194 297 D C 2.158 178.484 176.300 0.044 0.000 0.994 297 D CA 1.528 55.542 54.000 0.023 0.000 0.830 297 D CB -0.144 40.655 40.800 -0.002 0.000 0.959 297 D HN 0.535 nan 8.370 nan 0.000 0.452 298 Q N -0.609 119.186 119.800 -0.008 0.000 2.050 298 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 298 Q C 2.238 178.422 176.000 0.308 0.000 0.980 298 Q CA 0.991 56.853 55.803 0.098 0.000 0.840 298 Q CB -0.233 28.462 28.738 -0.073 0.000 0.898 298 Q HN 0.371 nan 8.270 nan 0.000 0.424 299 Y N 0.869 121.284 120.300 0.191 0.000 2.114 299 Y HA -0.226 4.324 4.550 -0.000 0.000 0.282 299 Y C 2.323 178.326 175.900 0.172 0.000 1.165 299 Y CA 1.176 59.279 58.100 0.005 0.000 1.148 299 Y CB -0.532 37.568 38.460 -0.600 0.000 0.972 299 Y HN 0.046 nan 8.280 nan 0.000 0.504 300 R N -0.824 119.863 120.500 0.311 0.000 2.073 300 R HA -0.124 4.216 4.340 -0.000 0.000 0.234 300 R C 2.212 178.652 176.300 0.235 0.000 1.134 300 R CA 1.957 58.245 56.100 0.313 0.000 0.952 300 R CB -0.754 29.680 30.300 0.223 0.000 0.850 300 R HN 0.262 nan 8.270 nan 0.000 0.433 301 T N 0.796 115.442 114.554 0.152 0.000 2.788 301 T HA -0.150 4.200 4.350 -0.000 0.000 0.268 301 T C 1.367 176.085 174.700 0.030 0.000 1.044 301 T CA 1.244 63.329 62.100 -0.026 0.000 1.139 301 T CB -0.277 68.484 68.868 -0.178 0.000 0.867 301 T HN 0.167 nan 8.240 nan 0.000 0.454 302 F N 0.795 120.844 119.950 0.165 0.000 2.060 302 F HA -0.078 4.449 4.527 -0.000 0.000 0.295 302 F C 1.996 177.802 175.800 0.011 0.000 1.120 302 F CA 1.173 59.287 58.000 0.189 0.000 1.205 302 F CB -0.380 38.697 39.000 0.128 0.000 0.986 302 F HN 0.098 nan 8.300 nan 0.000 0.470 303 Y N 0.098 120.653 120.300 0.425 0.000 2.352 303 Y HA -0.149 4.401 4.550 -0.000 0.000 0.292 303 Y C 2.741 178.754 175.900 0.189 0.000 1.136 303 Y CA 1.375 59.659 58.100 0.306 0.000 1.227 303 Y CB -1.063 37.659 38.460 0.438 0.000 0.991 303 Y HN 0.033 nan 8.280 nan 0.000 0.545 304 S N -1.150 114.716 115.700 0.277 0.000 2.368 304 S HA -0.197 4.273 4.470 -0.000 0.000 0.224 304 S C 2.247 176.993 174.600 0.244 0.000 1.029 304 S CA 1.324 59.660 58.200 0.227 0.000 0.988 304 S CB -0.776 62.509 63.200 0.143 0.000 0.838 304 S HN 0.531 nan 8.310 nan 0.000 0.462 305 C N 1.012 120.388 119.300 0.126 0.000 2.429 305 C HA 0.003 4.462 4.460 -0.000 0.000 0.277 305 C C 2.516 177.544 174.990 0.063 0.000 1.262 305 C CA 0.494 59.588 59.018 0.126 0.000 1.733 305 C CB -1.277 26.499 27.740 0.060 0.000 2.010 305 C HN 0.502 nan 8.230 nan 0.000 0.483 306 L N 0.382 121.580 121.223 -0.043 0.000 2.017 306 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 306 L C 2.353 179.305 176.870 0.136 0.000 1.073 306 L CA 2.038 56.866 54.840 -0.020 0.000 0.745 306 L CB -1.348 40.658 42.059 -0.087 0.000 0.894 306 L HN 0.559 nan 8.230 nan 0.000 0.432 307 Y N 0.233 120.573 120.300 0.066 0.000 2.114 307 Y HA -0.283 4.267 4.550 -0.000 0.000 0.282 307 Y C 2.437 178.344 175.900 0.012 0.000 1.165 307 Y CA 1.859 59.956 58.100 -0.006 0.000 1.148 307 Y CB -0.340 37.956 38.460 -0.273 0.000 0.972 307 Y HN 0.091 nan 8.280 nan 0.000 0.504 308 R N 0.245 120.611 120.500 -0.222 0.000 2.189 308 R HA -0.055 4.285 4.340 -0.000 0.000 0.223 308 R C 2.050 178.311 176.300 -0.065 0.000 1.092 308 R CA 1.155 57.105 56.100 -0.250 0.000 0.989 308 R CB -0.768 29.537 30.300 0.008 0.000 0.876 308 R HN 0.378 nan 8.270 nan 0.000 0.457 309 S N 0.563 116.259 115.700 -0.008 0.000 2.593 309 S HA 0.159 4.629 4.470 -0.000 0.000 0.217 309 S C 1.244 175.833 174.600 -0.019 0.000 0.966 309 S CA 0.270 58.495 58.200 0.041 0.000 0.914 309 S CB 0.214 63.453 63.200 0.064 0.000 0.776 309 S HN 0.197 nan 8.310 nan 0.000 0.523 310 L N 0.779 121.889 121.223 -0.188 0.000 3.218 310 L HA 0.419 4.759 4.340 -0.000 0.000 0.279 310 L C 0.606 176.894 176.870 -0.969 0.000 1.287 310 L CA 0.129 54.587 54.840 -0.636 0.000 1.024 310 L CB 0.118 41.731 42.059 -0.743 0.000 1.409 310 L HN 0.227 nan 8.230 nan 0.000 0.580 311 L N -1.493 119.476 121.223 -0.422 0.000 2.600 311 L HA 0.335 4.675 4.340 -0.000 0.000 0.213 311 L C -0.039 176.756 176.870 -0.125 0.000 1.045 311 L CA 0.293 54.925 54.840 -0.347 0.000 0.863 311 L CB 0.503 42.275 42.059 -0.478 0.000 1.189 311 L HN 0.040 nan 8.230 nan 0.000 0.484 312 F N 0.998 121.120 119.950 0.287 0.000 2.492 312 F HA 0.468 4.995 4.527 -0.000 0.000 0.327 312 F C -2.099 173.896 175.800 0.325 0.000 1.079 312 F CA -2.595 55.612 58.000 0.345 0.000 0.967 312 F CB 0.809 39.956 39.000 0.246 0.000 1.169 312 F HN -0.247 nan 8.300 nan 0.000 0.472 313 P HA 0.132 nan 4.420 nan 0.000 0.271 313 P C -0.937 176.775 177.300 0.686 0.000 1.218 313 P CA -0.516 62.955 63.100 0.618 0.000 0.780 313 P CB 0.810 32.850 31.700 0.566 0.000 0.901 314 R N 1.628 122.447 120.500 0.531 0.000 2.582 314 R HA 0.293 4.633 4.340 -0.000 0.000 0.271 314 R C -0.101 176.395 176.300 0.327 0.000 1.078 314 R CA -0.662 55.674 56.100 0.394 0.000 1.127 314 R CB 0.403 30.782 30.300 0.131 0.000 1.038 314 R HN 0.295 nan 8.270 nan 0.000 0.500 315 K N 1.597 122.030 120.400 0.056 0.000 2.489 315 K HA -0.067 4.253 4.320 -0.000 0.000 0.278 315 K C -0.452 176.089 176.600 -0.099 0.000 1.000 315 K CA 0.438 56.431 56.287 -0.490 0.000 1.012 315 K CB 0.282 32.468 32.500 -0.522 0.000 0.903 315 K HN 0.543 nan 8.250 nan 0.000 0.485 316 F N 3.468 123.273 119.950 -0.242 0.000 2.791 316 F HA 0.157 4.684 4.527 -0.000 0.000 0.316 316 F C -0.843 175.042 175.800 0.141 0.000 1.134 316 F CA -0.715 57.285 58.000 -0.000 0.000 1.222 316 F CB 0.466 39.474 39.000 0.013 0.000 1.034 316 F HN 0.491 nan 8.300 nan 0.000 0.516 317 Y N -0.854 119.468 120.300 0.037 0.000 2.587 317 Y HA 0.830 5.380 4.550 -0.000 0.000 0.337 317 Y C -0.653 175.294 175.900 0.077 0.000 1.065 317 Y CA -1.353 56.807 58.100 0.100 0.000 1.126 317 Y CB 0.837 39.374 38.460 0.128 0.000 1.279 317 Y HN 0.044 nan 8.280 nan 0.000 0.489 318 E N 1.244 121.595 120.200 0.252 0.000 2.410 318 E HA 0.540 4.890 4.350 -0.000 0.000 0.269 318 E C -1.871 174.859 176.600 0.217 0.000 0.937 318 E CA -1.239 55.250 56.400 0.147 0.000 0.793 318 E CB 2.376 32.134 29.700 0.096 0.000 1.314 318 E HN 0.437 nan 8.360 nan 0.000 0.447 319 L N 2.335 123.648 121.223 0.150 0.000 2.296 319 L HA 0.242 4.582 4.340 -0.000 0.000 0.286 319 L C -0.108 176.815 176.870 0.087 0.000 1.023 319 L CA -0.426 54.496 54.840 0.137 0.000 0.812 319 L CB 0.743 42.883 42.059 0.135 0.000 1.223 319 L HN 0.534 nan 8.230 nan 0.000 0.421 320 D N 2.253 122.694 120.400 0.068 0.000 2.414 320 D HA 0.211 4.851 4.640 -0.000 0.000 0.259 320 D C 1.113 177.439 176.300 0.042 0.000 1.269 320 D CA 0.060 54.087 54.000 0.045 0.000 1.028 320 D CB 0.575 41.393 40.800 0.029 0.000 1.093 320 D HN 0.463 nan 8.370 nan 0.000 0.545 321 A N -0.442 122.398 122.820 0.032 0.000 2.067 321 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 321 A C 1.462 179.065 177.584 0.032 0.000 1.158 321 A CA 0.879 52.934 52.037 0.031 0.000 0.661 321 A CB -0.665 18.349 19.000 0.024 0.000 0.801 321 A HN 0.556 nan 8.150 nan 0.000 0.452 322 N N -0.530 118.188 118.700 0.030 0.000 2.322 322 N HA 0.148 4.888 4.740 -0.000 0.000 0.194 322 N C 1.001 176.534 175.510 0.039 0.000 1.126 322 N CA 0.847 53.915 53.050 0.030 0.000 0.845 322 N CB 0.394 38.895 38.487 0.023 0.000 0.976 322 N HN 0.581 nan 8.380 nan 0.000 0.475 323 G N 0.998 109.828 108.800 0.049 0.000 2.160 323 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.251 323 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.251 323 G C -0.144 174.796 174.900 0.066 0.000 1.008 323 G CA 0.045 45.185 45.100 0.066 0.000 0.724 323 G HN 0.219 nan 8.290 nan 0.000 0.514 324 Q N 0.106 119.931 119.800 0.042 0.000 2.235 324 Q HA 0.477 4.817 4.340 -0.000 0.000 0.256 324 Q C -2.343 173.651 176.000 -0.010 0.000 0.951 324 Q CA -2.138 53.667 55.803 0.004 0.000 0.890 324 Q CB 2.124 30.855 28.738 -0.012 0.000 1.279 324 Q HN 0.315 nan 8.270 nan 0.000 0.444 325 P HA 0.243 nan 4.420 nan 0.000 0.276 325 P C -0.532 176.733 177.300 -0.058 0.000 1.235 325 P CA -0.031 62.990 63.100 -0.132 0.000 0.772 325 P CB 0.522 31.786 31.700 -0.727 0.000 0.871 326 I N 0.725 121.348 120.570 0.088 0.000 3.042 326 I HA 0.684 4.854 4.170 -0.000 0.000 0.310 326 I C -0.542 175.705 176.117 0.217 0.000 1.117 326 I CA -1.075 60.268 61.300 0.072 0.000 1.003 326 I CB 2.681 40.696 38.000 0.025 0.000 1.228 326 I HN 0.411 nan 8.210 nan 0.000 0.443 327 H N 1.567 120.726 119.070 0.148 0.000 2.974 327 H HA 0.313 4.869 4.556 -0.000 0.000 0.366 327 H C -2.181 173.287 175.328 0.233 0.000 1.155 327 H CA -0.791 55.385 56.048 0.213 0.000 1.186 327 H CB 1.223 31.153 29.762 0.279 0.000 1.799 327 H HN 0.822 nan 8.280 nan 0.000 0.541 328 Y N 2.428 122.876 120.300 0.246 0.000 2.442 328 Y HA 0.181 4.731 4.550 -0.000 0.000 0.330 328 Y C 0.246 176.418 175.900 0.454 0.000 1.129 328 Y CA 0.189 58.444 58.100 0.259 0.000 1.365 328 Y CB 0.947 39.561 38.460 0.257 0.000 1.233 328 Y HN 0.662 nan 8.280 nan 0.000 0.529 329 S N 8.343 123.878 115.700 -0.275 0.000 2.439 329 S HA 0.283 4.753 4.470 -0.000 0.000 0.282 329 S C -1.728 172.532 174.600 -0.566 0.000 1.170 329 S CA -1.577 56.539 58.200 -0.141 0.000 1.054 329 S CB 0.586 63.780 63.200 -0.010 0.000 0.956 329 S HN 0.671 nan 8.310 nan 0.000 0.490 330 P HA 0.042 nan 4.420 nan 0.000 0.242 330 P C 0.018 176.921 177.300 -0.662 0.000 1.197 330 P CA 0.559 63.323 63.100 -0.561 0.000 0.765 330 P CB -0.081 31.086 31.700 -0.887 0.000 0.936 331 Y N 1.222 121.390 120.300 -0.221 0.000 2.464 331 Y HA 0.066 4.616 4.550 0.000 0.000 0.288 331 Y C 1.997 177.849 175.900 -0.080 0.000 1.133 331 Y CA 1.129 59.139 58.100 -0.150 0.000 1.223 331 Y CB -0.538 37.846 38.460 -0.127 0.000 1.187 331 Y HN 0.088 nan 8.280 nan 0.000 0.539 332 N N -1.513 117.210 118.700 0.037 0.000 2.143 332 N HA 0.205 4.945 4.740 -0.000 0.000 0.222 332 N C 1.227 176.715 175.510 -0.037 0.000 1.264 332 N CA 0.613 53.673 53.050 0.017 0.000 0.897 332 N CB 0.749 39.257 38.487 0.036 0.000 1.092 332 N HN 0.241 nan 8.380 nan 0.000 0.516 333 G N -0.116 108.585 108.800 -0.166 0.000 2.162 333 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.260 333 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.260 333 G C -0.355 174.515 174.900 -0.051 0.000 0.976 333 G CA 0.547 45.557 45.100 -0.149 0.000 0.655 333 G HN 0.535 nan 8.290 nan 0.000 0.533 334 Q N -0.794 118.958 119.800 -0.079 0.000 2.193 334 Q HA 0.635 4.975 4.340 -0.000 0.000 0.246 334 Q C -0.028 175.964 176.000 -0.013 0.000 0.959 334 Q CA -0.831 54.969 55.803 -0.005 0.000 0.904 334 Q CB 2.351 31.083 28.738 -0.010 0.000 1.238 334 Q HN 0.155 nan 8.270 nan 0.000 0.469 335 V N 3.066 122.999 119.914 0.032 0.000 2.348 335 V HA 0.349 4.469 4.120 -0.000 0.000 0.270 335 V C -0.334 175.700 176.094 -0.100 0.000 1.037 335 V CA -0.237 62.068 62.300 0.008 0.000 0.872 335 V CB 0.104 31.965 31.823 0.065 0.000 1.002 335 V HN 0.513 nan 8.190 nan 0.000 0.464 336 L N 7.029 128.085 121.223 -0.279 0.000 2.333 336 L HA 0.638 4.978 4.340 -0.000 0.000 0.263 336 L C -2.382 174.263 176.870 -0.375 0.000 1.014 336 L CA -2.104 52.556 54.840 -0.300 0.000 0.820 336 L CB 3.097 45.000 42.059 -0.260 0.000 1.352 336 L HN 0.362 nan 8.230 nan 0.000 0.421 337 P HA 0.296 nan 4.420 nan 0.000 0.272 337 P C -0.022 177.282 177.300 0.006 0.000 1.230 337 P CA 0.356 63.405 63.100 -0.085 0.000 0.788 337 P CB 1.063 32.736 31.700 -0.045 0.000 0.949 338 G N 0.241 109.030 108.800 -0.018 0.000 2.592 338 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.684 338 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.684 338 G C -1.332 173.539 174.900 -0.049 0.000 1.291 338 G CA -0.916 44.139 45.100 -0.075 0.000 0.891 338 G HN 0.327 nan 8.290 nan 0.000 0.544 339 Y N -0.834 119.495 120.300 0.048 0.000 2.357 339 Y HA 0.676 5.226 4.550 -0.000 0.000 0.340 339 Y C 0.981 176.891 175.900 0.017 0.000 1.260 339 Y CA 0.520 58.597 58.100 -0.039 0.000 1.425 339 Y CB 1.382 39.864 38.460 0.038 0.000 1.326 339 Y HN 0.838 nan 8.280 nan 0.000 0.580 340 M N 2.666 122.459 119.600 0.322 0.000 2.373 340 M HA 0.509 4.989 4.480 -0.000 0.000 0.290 340 M C -2.426 174.121 176.300 0.412 0.000 1.143 340 M CA -0.841 54.597 55.300 0.229 0.000 0.949 340 M CB 1.070 33.558 32.600 -0.187 0.000 1.756 340 M HN 0.389 nan 8.290 nan 0.000 0.494 341 F N 0.832 120.963 119.950 0.303 0.000 2.620 341 F HA 0.924 5.451 4.527 0.000 0.000 0.320 341 F C 0.259 176.176 175.800 0.196 0.000 1.069 341 F CA -0.372 57.819 58.000 0.318 0.000 0.953 341 F CB 2.517 41.702 39.000 0.307 0.000 1.322 341 F HN 0.651 nan 8.300 nan 0.000 0.479 342 T N -1.087 113.683 114.554 0.360 0.000 2.665 342 T HA 0.374 4.724 4.350 -0.000 0.000 0.303 342 T C -2.125 172.743 174.700 0.281 0.000 1.334 342 T CA -0.503 61.695 62.100 0.164 0.000 1.011 342 T CB 0.954 69.692 68.868 -0.217 0.000 1.573 342 T HN 0.627 nan 8.240 nan 0.000 0.492 343 D N 0.836 121.374 120.400 0.230 0.000 2.800 343 D HA -0.086 4.554 4.640 -0.000 0.000 0.248 343 D C -0.587 175.866 176.300 0.255 0.000 1.091 343 D CA 1.331 55.551 54.000 0.366 0.000 0.746 343 D CB -1.439 39.685 40.800 0.541 0.000 1.062 343 D HN 0.615 nan 8.370 nan 0.000 0.431 344 T N -0.981 113.536 114.554 -0.061 0.000 2.982 344 T HA 0.594 4.944 4.350 -0.000 0.000 0.321 344 T C -0.477 173.474 174.700 -1.248 0.000 1.229 344 T CA 0.005 61.849 62.100 -0.428 0.000 1.044 344 T CB 1.699 70.590 68.868 0.037 0.000 1.184 344 T HN 0.207 nan 8.240 nan 0.000 0.477 345 G N 2.622 110.368 108.800 -1.758 0.000 2.384 345 G HA2 0.536 4.496 3.960 -0.000 0.000 0.316 345 G HA3 0.536 4.496 3.960 -0.000 0.000 0.316 345 G C 0.497 175.122 174.900 -0.458 0.000 1.160 345 G CA -0.546 43.402 45.100 -1.920 0.000 0.936 345 G HN 0.610 nan 8.290 nan 0.000 0.455 346 F N 1.138 120.990 119.950 -0.164 0.000 2.216 346 F HA 0.025 4.552 4.527 0.000 0.000 0.300 346 F C 2.062 178.054 175.800 0.319 0.000 1.085 346 F CA -0.045 58.011 58.000 0.093 0.000 1.326 346 F CB -0.470 38.564 39.000 0.056 0.000 1.027 346 F HN 0.750 nan 8.300 nan 0.000 0.497 347 W N 1.775 123.278 121.300 0.338 0.000 2.308 347 W HA -0.264 4.396 4.660 0.000 0.000 0.301 347 W C 1.957 178.680 176.519 0.341 0.000 1.220 347 W CA 2.181 59.773 57.345 0.412 0.000 1.240 347 W CB -0.256 29.412 29.460 0.347 0.000 1.142 347 W HN -0.067 nan 8.180 nan 0.000 0.521 348 D N -1.347 119.261 120.400 0.346 0.000 2.106 348 D HA -0.126 4.514 4.640 -0.000 0.000 0.203 348 D C 2.166 178.467 176.300 0.002 0.000 0.977 348 D CA 2.682 56.747 54.000 0.109 0.000 0.844 348 D CB -0.927 40.002 40.800 0.215 0.000 1.002 348 D HN 0.273 nan 8.370 nan 0.000 0.461 349 T N -1.142 113.523 114.554 0.185 0.000 3.086 349 T HA 0.027 4.377 4.350 -0.000 0.000 0.250 349 T C 1.871 176.774 174.700 0.339 0.000 1.074 349 T CA -0.308 61.955 62.100 0.271 0.000 0.988 349 T CB -0.673 68.457 68.868 0.437 0.000 0.988 349 T HN 0.200 nan 8.240 nan 0.000 0.530 350 F N 2.341 122.387 119.950 0.159 0.000 2.216 350 F HA 0.142 4.669 4.527 -0.000 0.000 0.300 350 F C 2.227 178.012 175.800 -0.026 0.000 1.085 350 F CA 0.282 58.286 58.000 0.007 0.000 1.326 350 F CB -0.421 38.527 39.000 -0.087 0.000 1.027 350 F HN -0.040 nan 8.300 nan 0.000 0.497 351 R N 0.324 120.307 120.500 -0.862 0.000 2.070 351 R HA -0.130 4.210 4.340 -0.000 0.000 0.233 351 R C 1.970 178.081 176.300 -0.315 0.000 1.137 351 R CA 2.264 57.868 56.100 -0.828 0.000 0.945 351 R CB -0.772 29.090 30.300 -0.731 0.000 0.845 351 R HN 0.679 nan 8.270 nan 0.000 0.430 352 C N -3.193 116.055 119.300 -0.086 0.000 4.403 352 C HA 0.339 4.799 4.460 -0.000 0.000 0.408 352 C C 1.883 177.031 174.990 0.263 0.000 1.714 352 C CA -0.884 58.139 59.018 0.008 0.000 2.002 352 C CB -0.658 27.042 27.740 -0.067 0.000 3.129 352 C HN 0.338 nan 8.230 nan 0.000 0.662 353 L N 1.252 122.607 121.223 0.220 0.000 1.976 353 L HA 0.056 4.396 4.340 -0.000 0.000 0.209 353 L C 2.280 179.243 176.870 0.154 0.000 1.071 353 L CA 2.369 57.323 54.840 0.190 0.000 0.746 353 L CB -1.135 41.003 42.059 0.131 0.000 0.890 353 L HN 0.364 nan 8.230 nan 0.000 0.432 354 F N 0.489 120.537 119.950 0.163 0.000 2.134 354 F HA -0.099 4.428 4.527 -0.000 0.000 0.299 354 F C -0.228 175.669 175.800 0.161 0.000 1.097 354 F CA 1.509 59.589 58.000 0.133 0.000 1.264 354 F CB -1.887 37.141 39.000 0.047 0.000 1.001 354 F HN 0.204 nan 8.300 nan 0.000 0.479 355 P HA -0.210 nan 4.420 nan 0.000 0.216 355 P C 1.920 179.529 177.300 0.516 0.000 1.153 355 P CA 1.181 64.485 63.100 0.339 0.000 0.858 355 P CB -0.065 31.756 31.700 0.202 0.000 0.789 356 L N -0.982 120.567 121.223 0.543 0.000 2.079 356 L HA -0.158 4.181 4.340 -0.000 0.000 0.210 356 L C 2.136 179.199 176.870 0.321 0.000 1.081 356 L CA 1.785 56.808 54.840 0.306 0.000 0.752 356 L CB -1.309 40.809 42.059 0.099 0.000 0.896 356 L HN -0.097 nan 8.230 nan 0.000 0.433 357 L N -0.659 120.756 121.223 0.320 0.000 2.056 357 L HA -0.188 4.152 4.340 -0.000 0.000 0.207 357 L C 2.240 179.291 176.870 0.301 0.000 1.078 357 L CA 1.089 56.130 54.840 0.336 0.000 0.749 357 L CB -0.803 41.354 42.059 0.163 0.000 0.901 357 L HN 0.359 nan 8.230 nan 0.000 0.433 358 N N 0.136 119.009 118.700 0.287 0.000 2.244 358 N HA -0.159 4.581 4.740 -0.000 0.000 0.183 358 N C 1.753 177.508 175.510 0.408 0.000 1.016 358 N CA 1.040 54.250 53.050 0.267 0.000 0.866 358 N CB -0.175 38.409 38.487 0.162 0.000 0.980 358 N HN 0.195 nan 8.380 nan 0.000 0.430 359 L N -0.002 121.494 121.223 0.455 0.000 2.049 359 L HA 0.100 4.440 4.340 -0.000 0.000 0.203 359 L C 1.722 178.849 176.870 0.428 0.000 1.074 359 L CA 1.507 56.653 54.840 0.509 0.000 0.749 359 L CB -0.143 42.173 42.059 0.429 0.000 0.907 359 L HN -0.010 nan 8.230 nan 0.000 0.439 360 M N -2.148 117.547 119.600 0.158 0.000 2.491 360 M HA 0.170 4.650 4.480 -0.000 0.000 0.259 360 M C 0.034 175.987 176.300 -0.577 0.000 1.163 360 M CA 0.613 55.761 55.300 -0.253 0.000 1.109 360 M CB -0.078 32.157 32.600 -0.608 0.000 1.353 360 M HN 0.172 nan 8.290 nan 0.000 0.500 361 Y N -0.445 119.972 120.300 0.195 0.000 2.658 361 Y HA 0.308 4.858 4.550 0.000 0.000 0.273 361 Y C -1.641 174.296 175.900 0.063 0.000 0.992 361 Y CA -1.947 56.229 58.100 0.125 0.000 1.105 361 Y CB -0.422 38.127 38.460 0.148 0.000 1.188 361 Y HN 0.067 nan 8.280 nan 0.000 0.616 362 P HA -0.211 nan 4.420 nan 0.000 0.216 362 P C 1.730 179.060 177.300 0.051 0.000 1.150 362 P CA 2.110 65.292 63.100 0.137 0.000 0.837 362 P CB 0.170 31.981 31.700 0.185 0.000 0.786 363 S N -1.047 114.678 115.700 0.042 0.000 2.442 363 S HA -0.087 4.383 4.470 -0.000 0.000 0.236 363 S C 1.965 176.512 174.600 -0.088 0.000 1.007 363 S CA 1.210 59.404 58.200 -0.010 0.000 0.965 363 S CB -1.628 61.583 63.200 0.019 0.000 0.773 363 S HN -0.008 nan 8.310 nan 0.000 0.504 364 V N 2.464 122.302 119.914 -0.127 0.000 2.346 364 V HA -0.053 4.067 4.120 -0.000 0.000 0.244 364 V C 2.733 178.606 176.094 -0.368 0.000 1.037 364 V CA 1.811 63.904 62.300 -0.345 0.000 1.029 364 V CB -1.175 30.233 31.823 -0.691 0.000 0.663 364 V HN 0.492 nan 8.190 nan 0.000 0.454 365 N N 0.687 119.261 118.700 -0.211 0.000 2.289 365 N HA -0.199 4.541 4.740 -0.000 0.000 0.184 365 N C 1.703 177.116 175.510 -0.163 0.000 1.016 365 N CA 1.381 54.345 53.050 -0.143 0.000 0.872 365 N CB -0.237 38.267 38.487 0.029 0.000 0.973 365 N HN 0.426 nan 8.380 nan 0.000 0.433 366 K N 1.330 121.642 120.400 -0.147 0.000 2.032 366 K HA -0.103 4.217 4.320 -0.000 0.000 0.209 366 K C 1.611 178.072 176.600 -0.232 0.000 1.048 366 K CA 1.600 57.801 56.287 -0.143 0.000 0.927 366 K CB -0.334 32.103 32.500 -0.105 0.000 0.712 366 K HN 0.302 nan 8.250 nan 0.000 0.441 367 E N -0.161 119.820 120.200 -0.366 0.000 2.085 367 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 367 E C 2.122 178.512 176.600 -0.350 0.000 0.994 367 E CA 1.768 57.839 56.400 -0.549 0.000 0.801 367 E CB -0.191 29.247 29.700 -0.436 0.000 0.743 367 E HN 0.399 nan 8.360 nan 0.000 0.453 368 M N 0.444 119.680 119.600 -0.607 0.000 2.132 368 M HA -0.172 4.308 4.480 -0.000 0.000 0.263 368 M C 2.288 178.502 176.300 -0.142 0.000 1.065 368 M CA 1.175 56.098 55.300 -0.629 0.000 1.122 368 M CB -0.029 32.233 32.600 -0.563 0.000 1.365 368 M HN -0.025 nan 8.290 nan 0.000 0.411 369 Q N 0.358 120.088 119.800 -0.118 0.000 2.079 369 Q HA -0.136 4.204 4.340 -0.000 0.000 0.200 369 Q C 1.931 177.948 176.000 0.028 0.000 0.974 369 Q CA 1.221 56.988 55.803 -0.060 0.000 0.840 369 Q CB -0.484 28.207 28.738 -0.079 0.000 0.898 369 Q HN 0.505 nan 8.270 nan 0.000 0.430 370 E N 0.114 120.342 120.200 0.046 0.000 2.085 370 E HA -0.124 4.226 4.350 -0.000 0.000 0.194 370 E C 2.048 178.778 176.600 0.216 0.000 0.994 370 E CA 1.245 57.733 56.400 0.147 0.000 0.801 370 E CB -0.454 29.371 29.700 0.209 0.000 0.743 370 E HN 0.488 nan 8.360 nan 0.000 0.453 371 G N 1.292 110.244 108.800 0.254 0.000 2.422 371 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.218 371 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.218 371 G C 1.742 176.789 174.900 0.245 0.000 1.146 371 G CA 0.542 45.825 45.100 0.305 0.000 0.769 371 G HN 0.178 nan 8.290 nan 0.000 0.547 372 L N 0.366 121.725 121.223 0.226 0.000 2.093 372 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 372 L C 2.741 179.852 176.870 0.402 0.000 1.085 372 L CA 0.247 55.258 54.840 0.286 0.000 0.755 372 L CB -0.386 41.772 42.059 0.166 0.000 0.904 372 L HN 0.102 nan 8.230 nan 0.000 0.435 373 I N 0.335 121.097 120.570 0.321 0.000 2.226 373 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 373 I C 2.205 178.451 176.117 0.214 0.000 1.100 373 I CA 1.420 62.904 61.300 0.306 0.000 1.374 373 I CB -1.286 36.841 38.000 0.212 0.000 1.057 373 I HN 0.361 nan 8.210 nan 0.000 0.413 374 N N 0.405 119.214 118.700 0.181 0.000 2.244 374 N HA -0.109 4.631 4.740 -0.000 0.000 0.183 374 N C 1.805 177.344 175.510 0.048 0.000 1.016 374 N CA 1.371 54.502 53.050 0.135 0.000 0.866 374 N CB -0.357 38.231 38.487 0.168 0.000 0.980 374 N HN 0.347 nan 8.380 nan 0.000 0.430 375 T N 0.271 114.829 114.554 0.007 0.000 2.708 375 T HA -0.161 4.189 4.350 -0.000 0.000 0.266 375 T C 1.719 176.261 174.700 -0.264 0.000 1.037 375 T CA 0.954 62.866 62.100 -0.314 0.000 1.146 375 T CB -0.411 68.284 68.868 -0.288 0.000 0.865 375 T HN 0.303 nan 8.240 nan 0.000 0.435 376 Y N 1.687 121.831 120.300 -0.261 0.000 2.181 376 Y HA -0.017 4.533 4.550 -0.000 0.000 0.288 376 Y C 1.981 177.695 175.900 -0.310 0.000 1.146 376 Y CA 1.020 58.855 58.100 -0.441 0.000 1.164 376 Y CB -0.529 37.392 38.460 -0.899 0.000 0.982 376 Y HN 0.118 nan 8.280 nan 0.000 0.515 377 L N -0.126 120.936 121.223 -0.268 0.000 2.083 377 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 377 L C 2.018 178.747 176.870 -0.235 0.000 1.083 377 L CA 1.840 56.515 54.840 -0.275 0.000 0.752 377 L CB -0.410 41.608 42.059 -0.067 0.000 0.899 377 L HN 0.274 nan 8.230 nan 0.000 0.433 378 E N -1.117 118.994 120.200 -0.148 0.000 2.400 378 E HA -0.068 4.281 4.350 -0.000 0.000 0.195 378 E C 1.900 178.470 176.600 -0.049 0.000 1.012 378 E CA 0.939 57.304 56.400 -0.059 0.000 0.875 378 E CB 0.313 30.045 29.700 0.054 0.000 0.859 378 E HN 0.432 nan 8.360 nan 0.000 0.498 379 S N -1.982 113.647 115.700 -0.118 0.000 2.631 379 S HA 0.309 4.779 4.470 -0.000 0.000 0.246 379 S C 1.598 176.219 174.600 0.035 0.000 1.068 379 S CA 0.419 58.649 58.200 0.049 0.000 0.995 379 S CB 1.037 64.309 63.200 0.119 0.000 0.944 379 S HN 0.274 nan 8.310 nan 0.000 0.529 380 G N 0.475 109.096 108.800 -0.298 0.000 2.234 380 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.235 380 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.235 380 G C -0.128 174.346 174.900 -0.711 0.000 0.997 380 G CA 0.220 44.965 45.100 -0.593 0.000 0.623 380 G HN 0.520 nan 8.290 nan 0.000 0.514 381 F N -0.341 119.515 119.950 -0.156 0.000 2.593 381 F HA 0.803 5.330 4.527 0.000 0.000 0.320 381 F C 0.191 176.047 175.800 0.093 0.000 1.060 381 F CA -1.488 56.549 58.000 0.061 0.000 0.940 381 F CB 1.086 40.117 39.000 0.052 0.000 1.268 381 F HN -0.067 nan 8.300 nan 0.000 0.475 382 F N 2.998 123.204 119.950 0.427 0.000 2.410 382 F HA 0.350 4.877 4.527 -0.000 0.000 0.334 382 F C -1.818 174.194 175.800 0.354 0.000 1.134 382 F CA -2.124 56.051 58.000 0.292 0.000 1.227 382 F CB -0.068 39.028 39.000 0.160 0.000 1.194 382 F HN 0.111 nan 8.300 nan 0.000 0.571 383 P HA 0.185 nan 4.420 nan 0.000 0.276 383 P C -0.436 177.039 177.300 0.291 0.000 1.252 383 P CA -0.159 63.198 63.100 0.429 0.000 0.802 383 P CB 1.706 33.543 31.700 0.227 0.000 1.035 384 E N -0.052 120.252 120.200 0.172 0.000 2.476 384 E HA 0.089 4.439 4.350 -0.000 0.000 0.193 384 E C -0.223 176.298 176.600 -0.132 0.000 0.966 384 E CA 0.727 57.196 56.400 0.114 0.000 1.114 384 E CB -0.111 29.739 29.700 0.250 0.000 1.151 384 E HN 0.475 nan 8.360 nan 0.000 0.487 385 W N 1.065 122.360 121.300 -0.009 0.000 2.376 385 W HA 0.573 5.233 4.660 0.000 0.000 0.312 385 W C -0.756 175.740 176.519 -0.038 0.000 1.060 385 W CA -0.348 56.974 57.345 -0.039 0.000 1.221 385 W CB 1.530 30.995 29.460 0.009 0.000 1.281 385 W HN 0.001 nan 8.180 nan 0.000 0.456 386 A N 3.192 126.179 122.820 0.278 0.000 2.343 386 A HA 0.695 5.015 4.320 -0.000 0.000 0.308 386 A C -0.727 176.964 177.584 0.179 0.000 1.092 386 A CA -0.527 51.592 52.037 0.137 0.000 0.751 386 A CB 1.757 20.772 19.000 0.025 0.000 1.203 386 A HN 0.325 nan 8.150 nan 0.000 0.452 387 S N 3.931 119.620 115.700 -0.018 0.000 2.612 387 S HA 0.416 4.886 4.470 -0.000 0.000 0.167 387 S C -2.407 171.905 174.600 -0.480 0.000 0.961 387 S CA -0.497 57.648 58.200 -0.092 0.000 1.085 387 S CB 0.987 64.266 63.200 0.132 0.000 1.477 387 S HN 0.495 nan 8.310 nan 0.000 0.413 388 P HA 0.201 nan 4.420 nan 0.000 0.221 388 P C 1.058 177.832 177.300 -0.877 0.000 1.155 388 P CA 0.542 63.075 63.100 -0.945 0.000 0.812 388 P CB -0.017 30.840 31.700 -1.405 0.000 0.801 389 G N -0.301 107.984 108.800 -0.858 0.000 2.510 389 G HA2 0.162 4.122 3.960 -0.000 0.000 0.280 389 G HA3 0.162 4.122 3.960 -0.000 0.000 0.280 389 G C -0.426 174.212 174.900 -0.436 0.000 1.386 389 G CA -0.409 44.102 45.100 -0.981 0.000 1.047 389 G HN 0.122 nan 8.290 nan 0.000 0.527 390 H N 0.805 119.834 119.070 -0.068 0.000 3.004 390 H HA 0.181 4.737 4.556 -0.000 0.000 0.316 390 H C 0.291 175.555 175.328 -0.107 0.000 1.014 390 H CA 0.487 56.519 56.048 -0.027 0.000 1.454 390 H CB 0.502 30.183 29.762 -0.136 0.000 1.472 390 H HN 0.127 nan 8.280 nan 0.000 0.571 391 R N 1.471 122.020 120.500 0.082 0.000 2.740 391 R HA 0.301 4.641 4.340 -0.000 0.000 0.282 391 R C 0.345 176.650 176.300 0.008 0.000 0.969 391 R CA -0.988 55.110 56.100 -0.004 0.000 0.918 391 R CB 1.987 32.257 30.300 -0.050 0.000 1.175 391 R HN 0.774 nan 8.270 nan 0.000 0.464 392 G N 0.727 109.500 108.800 -0.045 0.000 2.444 392 G HA2 0.350 4.310 3.960 -0.000 0.000 0.303 392 G HA3 0.350 4.310 3.960 -0.000 0.000 0.303 392 G C -0.494 174.365 174.900 -0.069 0.000 1.032 392 G CA -0.062 45.016 45.100 -0.036 0.000 1.137 392 G HN 0.483 nan 8.290 nan 0.000 0.430 393 C N 5.313 124.593 119.300 -0.033 0.000 3.046 393 C HA 0.624 5.084 4.460 -0.000 0.000 0.388 393 C C -0.094 174.932 174.990 0.060 0.000 1.041 393 C CA -0.564 58.392 59.018 -0.104 0.000 1.241 393 C CB 0.330 27.799 27.740 -0.452 0.000 1.638 393 C HN 1.005 nan 8.230 nan 0.000 0.539 394 M N 3.071 122.632 119.600 -0.065 0.000 7.319 394 M HA -0.134 4.346 4.480 -0.000 0.000 0.145 394 M C -0.036 176.211 176.300 -0.089 0.000 0.480 394 M CA 1.850 57.026 55.300 -0.207 0.000 1.311 394 M CB -2.237 30.213 32.600 -0.251 0.000 0.421 394 M HN 1.862 nan 8.290 nan 0.000 0.551 395 V N -3.236 116.631 119.914 -0.079 0.000 3.203 395 V HA 1.014 5.134 4.120 -0.000 0.000 0.305 395 V C 0.120 176.413 176.094 0.333 0.000 1.361 395 V CA 0.668 63.031 62.300 0.104 0.000 1.066 395 V CB 1.192 33.041 31.823 0.042 0.000 1.085 395 V HN 2.753 nan 8.190 nan 0.000 0.456 396 G N 0.706 109.683 108.800 0.295 0.000 2.707 396 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.686 396 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.686 396 G C -0.340 174.819 174.900 0.432 0.000 1.315 396 G CA 0.138 45.461 45.100 0.371 0.000 0.832 396 G HN 1.787 nan 8.290 nan 0.000 0.573 397 N N -0.098 118.837 118.700 0.391 0.000 2.535 397 N HA 0.127 4.867 4.740 -0.000 0.000 0.294 397 N C 1.037 176.583 175.510 0.059 0.000 1.408 397 N CA 0.070 53.243 53.050 0.205 0.000 0.927 397 N CB -0.135 38.391 38.487 0.066 0.000 1.276 397 N HN 0.498 nan 8.380 nan 0.000 0.505 398 N N -0.512 118.226 118.700 0.063 0.000 2.515 398 N HA -0.111 4.629 4.740 -0.000 0.000 0.185 398 N C 1.862 177.230 175.510 -0.236 0.000 1.109 398 N CA 0.476 53.419 53.050 -0.179 0.000 0.903 398 N CB 0.289 38.604 38.487 -0.287 0.000 0.969 398 N HN 0.315 nan 8.380 nan 0.000 0.450 399 S N 0.528 116.170 115.700 -0.096 0.000 2.402 399 S HA -0.214 4.256 4.470 -0.000 0.000 0.233 399 S C 2.156 176.454 174.600 -0.504 0.000 1.030 399 S CA 0.936 58.905 58.200 -0.385 0.000 1.003 399 S CB -0.502 62.688 63.200 -0.017 0.000 0.813 399 S HN 0.364 nan 8.310 nan 0.000 0.477 400 A N 1.779 124.377 122.820 -0.370 0.000 1.892 400 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 400 A C 2.505 179.818 177.584 -0.452 0.000 1.188 400 A CA 2.251 54.038 52.037 -0.416 0.000 0.631 400 A CB -1.552 17.234 19.000 -0.357 0.000 0.822 400 A HN 0.645 nan 8.150 nan 0.000 0.447 401 S N -0.407 115.022 115.700 -0.452 0.000 2.348 401 S HA -0.149 4.321 4.470 -0.000 0.000 0.221 401 S C 1.970 176.382 174.600 -0.314 0.000 1.033 401 S CA 1.504 59.492 58.200 -0.354 0.000 1.010 401 S CB -0.513 62.532 63.200 -0.258 0.000 0.891 401 S HN 0.397 nan 8.310 nan 0.000 0.442 402 I N 1.655 121.947 120.570 -0.463 0.000 2.118 402 I HA -0.207 3.963 4.170 -0.000 0.000 0.241 402 I C 2.457 178.270 176.117 -0.508 0.000 1.070 402 I CA 1.514 62.445 61.300 -0.614 0.000 1.327 402 I CB -1.626 35.652 38.000 -1.204 0.000 1.034 402 I HN 0.360 nan 8.210 nan 0.000 0.405 403 L N -0.052 120.839 121.223 -0.554 0.000 2.027 403 L HA -0.166 4.174 4.340 -0.000 0.000 0.206 403 L C 2.672 179.354 176.870 -0.313 0.000 1.074 403 L CA 0.899 55.457 54.840 -0.469 0.000 0.745 403 L CB -0.601 41.086 42.059 -0.620 0.000 0.898 403 L HN 0.015 nan 8.230 nan 0.000 0.433 404 V N -0.286 119.431 119.914 -0.328 0.000 2.358 404 V HA -0.292 3.828 4.120 -0.000 0.000 0.246 404 V C 2.161 178.151 176.094 -0.174 0.000 1.047 404 V CA 2.014 64.153 62.300 -0.267 0.000 1.035 404 V CB -0.468 31.144 31.823 -0.352 0.000 0.658 404 V HN 0.474 nan 8.190 nan 0.000 0.452 405 D N 0.366 120.661 120.400 -0.174 0.000 2.123 405 D HA -0.166 4.474 4.640 -0.000 0.000 0.196 405 D C 2.121 178.351 176.300 -0.116 0.000 0.992 405 D CA 1.624 55.549 54.000 -0.124 0.000 0.833 405 D CB -0.137 40.614 40.800 -0.082 0.000 0.954 405 D HN 0.366 nan 8.370 nan 0.000 0.455 406 A N -0.696 122.059 122.820 -0.108 0.000 1.877 406 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 406 A C 2.281 179.820 177.584 -0.074 0.000 1.186 406 A CA 1.628 53.617 52.037 -0.079 0.000 0.620 406 A CB -1.395 17.554 19.000 -0.085 0.000 0.822 406 A HN 0.500 nan 8.150 nan 0.000 0.443 407 Y N -0.126 120.071 120.300 -0.171 0.000 2.128 407 Y HA -0.222 4.328 4.550 -0.000 0.000 0.284 407 Y C 2.253 178.057 175.900 -0.160 0.000 1.154 407 Y CA 2.194 60.200 58.100 -0.156 0.000 1.149 407 Y CB -0.165 38.191 38.460 -0.174 0.000 0.976 407 Y HN 0.222 nan 8.280 nan 0.000 0.505 408 M N 0.160 119.769 119.600 0.015 0.000 2.460 408 M HA -0.121 4.359 4.480 -0.000 0.000 0.263 408 M C 0.972 177.153 176.300 -0.199 0.000 1.071 408 M CA 1.441 56.693 55.300 -0.081 0.000 1.096 408 M CB -0.772 31.759 32.600 -0.115 0.000 1.408 408 M HN 0.190 nan 8.290 nan 0.000 0.463 409 K N -0.310 119.943 120.400 -0.246 0.000 2.576 409 K HA 0.373 4.693 4.320 -0.000 0.000 0.209 409 K C 0.788 177.278 176.600 -0.183 0.000 1.049 409 K CA 0.201 56.278 56.287 -0.351 0.000 1.140 409 K CB 0.106 32.252 32.500 -0.589 0.000 0.871 409 K HN 0.413 nan 8.250 nan 0.000 0.479 410 G N 0.688 109.369 108.800 -0.197 0.000 2.148 410 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.254 410 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.254 410 G C 0.065 174.886 174.900 -0.133 0.000 0.981 410 G CA -0.026 44.975 45.100 -0.164 0.000 0.670 410 G HN 0.187 nan 8.290 nan 0.000 0.528 411 V N 1.339 121.172 119.914 -0.136 0.000 2.270 411 V HA 0.382 4.502 4.120 -0.000 0.000 0.263 411 V C 0.430 176.450 176.094 -0.124 0.000 1.066 411 V CA -0.162 62.084 62.300 -0.090 0.000 0.857 411 V CB 0.866 32.665 31.823 -0.039 0.000 1.099 411 V HN 0.313 nan 8.190 nan 0.000 0.476 412 K N 3.651 123.968 120.400 -0.139 0.000 2.339 412 K HA 0.551 4.871 4.320 -0.000 0.000 0.264 412 K C -0.149 176.441 176.600 -0.016 0.000 0.986 412 K CA -0.663 55.547 56.287 -0.128 0.000 0.866 412 K CB 2.375 34.711 32.500 -0.273 0.000 1.103 412 K HN 0.539 nan 8.250 nan 0.000 0.441 413 V N -0.238 119.705 119.914 0.048 0.000 3.096 413 V HA -0.007 4.113 4.120 -0.000 0.000 0.306 413 V C 0.795 176.928 176.094 0.064 0.000 1.088 413 V CA -0.027 62.307 62.300 0.056 0.000 1.129 413 V CB 0.714 32.579 31.823 0.070 0.000 1.014 413 V HN 0.666 nan 8.190 nan 0.000 0.486 414 D N 0.846 121.284 120.400 0.064 0.000 2.104 414 D HA -0.103 4.537 4.640 -0.000 0.000 0.194 414 D C 0.912 177.248 176.300 0.060 0.000 0.994 414 D CA 2.121 56.156 54.000 0.059 0.000 0.830 414 D CB -0.134 40.704 40.800 0.063 0.000 0.959 414 D HN 0.889 nan 8.370 nan 0.000 0.452 415 D N -0.173 120.269 120.400 0.069 0.000 2.564 415 D HA 0.141 4.781 4.640 -0.000 0.000 0.226 415 D C 1.164 177.499 176.300 0.058 0.000 1.149 415 D CA -0.200 53.837 54.000 0.062 0.000 0.994 415 D CB -0.214 40.627 40.800 0.070 0.000 1.029 415 D HN 0.067 nan 8.370 nan 0.000 0.517 416 I N 1.538 122.139 120.570 0.052 0.000 2.394 416 I HA -0.198 3.972 4.170 -0.000 0.000 0.251 416 I C 2.456 178.577 176.117 0.006 0.000 1.136 416 I CA 0.739 62.056 61.300 0.029 0.000 1.425 416 I CB 0.017 38.040 38.000 0.038 0.000 1.079 416 I HN 0.252 nan 8.210 nan 0.000 0.425 417 K N 0.804 121.213 120.400 0.014 0.000 2.009 417 K HA -0.199 4.121 4.320 -0.000 0.000 0.210 417 K C 2.078 178.697 176.600 0.033 0.000 1.049 417 K CA 2.127 58.425 56.287 0.018 0.000 0.929 417 K CB -0.209 32.300 32.500 0.015 0.000 0.714 417 K HN 0.194 nan 8.250 nan 0.000 0.440 418 T N 2.306 116.880 114.554 0.033 0.000 2.788 418 T HA -0.162 4.188 4.350 -0.000 0.000 0.268 418 T C 1.716 176.384 174.700 -0.054 0.000 1.044 418 T CA 1.288 63.400 62.100 0.021 0.000 1.139 418 T CB -0.256 68.659 68.868 0.080 0.000 0.867 418 T HN 0.233 nan 8.240 nan 0.000 0.454 419 L N 0.382 121.615 121.223 0.017 0.000 1.990 419 L HA -0.136 4.204 4.340 -0.000 0.000 0.213 419 L C 2.123 178.976 176.870 -0.028 0.000 1.072 419 L CA 1.895 56.757 54.840 0.037 0.000 0.755 419 L CB -0.974 41.081 42.059 -0.008 0.000 0.889 419 L HN 0.283 nan 8.230 nan 0.000 0.432 420 Y N 0.505 120.707 120.300 -0.163 0.000 2.200 420 Y HA -0.187 4.363 4.550 0.000 0.000 0.290 420 Y C 2.472 178.269 175.900 -0.172 0.000 1.137 420 Y CA 2.087 60.070 58.100 -0.196 0.000 1.163 420 Y CB -0.197 38.144 38.460 -0.199 0.000 0.988 420 Y HN 0.405 nan 8.280 nan 0.000 0.518 421 E N -0.672 119.459 120.200 -0.115 0.000 2.085 421 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 421 E C 2.403 178.799 176.600 -0.341 0.000 0.994 421 E CA 1.040 57.338 56.400 -0.170 0.000 0.801 421 E CB -0.586 29.082 29.700 -0.053 0.000 0.743 421 E HN 0.636 nan 8.360 nan 0.000 0.453 422 G N 1.323 109.727 108.800 -0.659 0.000 2.440 422 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 422 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 422 G C 1.596 176.309 174.900 -0.312 0.000 1.154 422 G CA 0.612 45.000 45.100 -1.186 0.000 0.767 422 G HN 0.073 nan 8.290 nan 0.000 0.552 423 L N 0.383 121.518 121.223 -0.146 0.000 2.017 423 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 423 L C 2.815 179.509 176.870 -0.293 0.000 1.073 423 L CA 0.578 55.287 54.840 -0.218 0.000 0.745 423 L CB -0.373 41.436 42.059 -0.416 0.000 0.894 423 L HN 0.099 nan 8.230 nan 0.000 0.432 424 I N -0.493 119.829 120.570 -0.414 0.000 2.208 424 I HA -0.327 3.843 4.170 -0.000 0.000 0.245 424 I C 2.540 178.564 176.117 -0.155 0.000 1.097 424 I CA 1.762 62.901 61.300 -0.268 0.000 1.363 424 I CB -1.439 36.397 38.000 -0.274 0.000 1.051 424 I HN 0.385 nan 8.210 nan 0.000 0.413 425 H N 1.151 120.081 119.070 -0.233 0.000 2.319 425 H HA -0.158 4.398 4.556 -0.000 0.000 0.297 425 H C 2.266 177.462 175.328 -0.220 0.000 1.097 425 H CA 2.220 58.131 56.048 -0.230 0.000 1.285 425 H CB -0.461 29.166 29.762 -0.225 0.000 1.368 425 H HN 0.300 nan 8.280 nan 0.000 0.495 426 G N -1.301 107.443 108.800 -0.094 0.000 2.470 426 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.220 426 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.220 426 G C 1.746 176.554 174.900 -0.153 0.000 1.121 426 G CA 1.246 46.331 45.100 -0.024 0.000 0.766 426 G HN 0.632 nan 8.290 nan 0.000 0.553 427 T N -0.906 113.537 114.554 -0.185 0.000 3.055 427 T HA 0.051 4.401 4.350 -0.000 0.000 0.265 427 T C 1.487 176.018 174.700 -0.282 0.000 1.111 427 T CA 1.316 63.317 62.100 -0.166 0.000 1.118 427 T CB -0.037 68.842 68.868 0.018 0.000 0.909 427 T HN 0.578 nan 8.240 nan 0.000 0.501 428 E N 0.344 120.249 120.200 -0.492 0.000 2.876 428 E HA 0.299 4.649 4.350 -0.000 0.000 0.208 428 E C -0.581 175.209 176.600 -1.350 0.000 0.981 428 E CA -0.754 55.103 56.400 -0.905 0.000 1.174 428 E CB 0.273 29.724 29.700 -0.415 0.000 1.047 428 E HN 0.285 nan 8.360 nan 0.000 0.477 429 N N 0.790 118.905 118.700 -0.975 0.000 2.277 429 N HA 0.321 5.061 4.740 -0.000 0.000 0.286 429 N C -1.891 173.581 175.510 -0.064 0.000 1.140 429 N CA -0.545 52.179 53.050 -0.542 0.000 0.799 429 N CB 2.983 41.114 38.487 -0.593 0.000 1.596 429 N HN 0.005 nan 8.380 nan 0.000 0.473 430 V N 1.361 121.355 119.914 0.133 0.000 2.656 430 V HA 0.259 4.379 4.120 -0.000 0.000 0.307 430 V C -0.285 175.796 176.094 -0.022 0.000 1.051 430 V CA -0.583 61.783 62.300 0.111 0.000 0.893 430 V CB 1.578 33.499 31.823 0.163 0.000 0.999 430 V HN 0.714 nan 8.190 nan 0.000 0.426 431 H N 8.516 127.266 119.070 -0.534 0.000 3.070 431 H HA 0.168 4.724 4.556 -0.000 0.000 0.313 431 H C -1.686 173.525 175.328 -0.195 0.000 0.997 431 H CA -0.581 55.092 56.048 -0.625 0.000 1.438 431 H CB 1.947 31.198 29.762 -0.851 0.000 1.455 431 H HN 0.532 nan 8.280 nan 0.000 0.575 432 P HA -0.098 nan 4.420 nan 0.000 0.220 432 P C 0.475 177.814 177.300 0.064 0.000 1.148 432 P CA 1.146 64.212 63.100 -0.056 0.000 0.803 432 P CB 0.551 32.194 31.700 -0.095 0.000 0.782 433 E N -1.275 119.074 120.200 0.248 0.000 2.413 433 E HA 0.097 4.447 4.350 -0.000 0.000 0.203 433 E C 0.070 176.742 176.600 0.120 0.000 0.957 433 E CA 0.238 56.754 56.400 0.193 0.000 0.950 433 E CB 0.437 30.251 29.700 0.190 0.000 0.957 433 E HN -0.016 nan 8.360 nan 0.000 0.497 434 V N 2.127 122.112 119.914 0.118 0.000 2.305 434 V HA 0.104 4.224 4.120 -0.000 0.000 0.275 434 V C 0.856 176.914 176.094 -0.061 0.000 1.020 434 V CA -0.100 62.146 62.300 -0.090 0.000 0.811 434 V CB 1.280 32.898 31.823 -0.342 0.000 1.031 434 V HN 0.218 nan 8.190 nan 0.000 0.439 435 S N 2.095 117.789 115.700 -0.010 0.000 2.515 435 S HA -0.102 4.368 4.470 -0.000 0.000 0.231 435 S C 1.692 176.310 174.600 0.030 0.000 0.987 435 S CA 0.945 59.155 58.200 0.017 0.000 0.936 435 S CB -0.122 63.099 63.200 0.034 0.000 0.766 435 S HN 0.887 nan 8.310 nan 0.000 0.528 436 S N 0.056 115.768 115.700 0.021 0.000 2.575 436 S HA 0.183 4.653 4.470 -0.000 0.000 0.215 436 S C 0.363 175.003 174.600 0.067 0.000 0.966 436 S CA -0.405 57.838 58.200 0.072 0.000 0.911 436 S CB -0.340 62.917 63.200 0.096 0.000 0.780 436 S HN 0.363 nan 8.310 nan 0.000 0.514 437 T N 2.560 117.084 114.554 -0.051 0.000 2.771 437 T HA 0.663 5.013 4.350 -0.000 0.000 0.281 437 T C 0.586 175.169 174.700 -0.196 0.000 0.982 437 T CA 0.268 62.274 62.100 -0.156 0.000 0.978 437 T CB 0.863 69.447 68.868 -0.474 0.000 0.930 437 T HN 0.830 nan 8.240 nan 0.000 0.447 438 G N 3.127 111.946 108.800 0.031 0.000 2.741 438 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.222 438 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.222 438 G C -0.754 174.205 174.900 0.098 0.000 1.364 438 G CA -0.881 44.320 45.100 0.167 0.000 0.866 438 G HN 0.784 nan 8.290 nan 0.000 0.555 439 R N -0.204 120.323 120.500 0.045 0.000 2.346 439 R HA 0.380 4.720 4.340 -0.000 0.000 0.309 439 R C 0.196 176.626 176.300 0.217 0.000 1.119 439 R CA -0.793 55.321 56.100 0.022 0.000 1.112 439 R CB 0.996 31.068 30.300 -0.381 0.000 1.132 439 R HN 0.544 nan 8.270 nan 0.000 0.538 440 L N 2.089 123.465 121.223 0.255 0.000 2.559 440 L HA 0.129 4.469 4.340 -0.000 0.000 0.274 440 L C 1.123 178.166 176.870 0.288 0.000 1.205 440 L CA 1.609 56.594 54.840 0.242 0.000 0.907 440 L CB 0.512 42.671 42.059 0.167 0.000 1.153 440 L HN 0.914 nan 8.230 nan 0.000 0.490 441 G N 3.397 112.341 108.800 0.239 0.000 2.141 441 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.242 441 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.242 441 G C 0.500 175.550 174.900 0.250 0.000 0.982 441 G CA 0.680 45.936 45.100 0.260 0.000 0.662 441 G HN 1.151 nan 8.290 nan 0.000 0.527 442 Y N -0.427 119.957 120.300 0.141 0.000 2.207 442 Y HA 0.031 4.581 4.550 -0.000 0.000 0.287 442 Y C 2.190 178.155 175.900 0.108 0.000 1.156 442 Y CA 1.801 59.957 58.100 0.094 0.000 1.182 442 Y CB -0.353 38.094 38.460 -0.022 0.000 0.979 442 Y HN 0.413 nan 8.280 nan 0.000 0.521 443 E N 0.082 119.841 120.200 -0.735 0.000 2.031 443 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 443 E C 1.990 178.396 176.600 -0.324 0.000 0.994 443 E CA 1.823 57.851 56.400 -0.619 0.000 0.800 443 E CB -0.590 28.620 29.700 -0.817 0.000 0.752 443 E HN 0.602 nan 8.360 nan 0.000 0.447 444 Y N -0.161 120.040 120.300 -0.165 0.000 2.165 444 Y HA -0.278 4.272 4.550 -0.000 0.000 0.286 444 Y C 2.354 178.198 175.900 -0.093 0.000 1.155 444 Y CA 1.657 59.675 58.100 -0.137 0.000 1.164 444 Y CB -0.792 37.593 38.460 -0.124 0.000 0.978 444 Y HN 0.183 nan 8.280 nan 0.000 0.513 445 Y N 1.167 121.516 120.300 0.080 0.000 2.163 445 Y HA -0.234 4.316 4.550 -0.000 0.000 0.288 445 Y C 2.008 177.934 175.900 0.043 0.000 1.136 445 Y CA 1.698 59.856 58.100 0.097 0.000 1.147 445 Y CB -0.501 38.099 38.460 0.232 0.000 0.987 445 Y HN 0.046 nan 8.280 nan 0.000 0.509 446 N N 0.436 119.181 118.700 0.075 0.000 2.244 446 N HA -0.145 4.595 4.740 -0.000 0.000 0.183 446 N C 1.722 177.162 175.510 -0.117 0.000 1.016 446 N CA 1.414 54.439 53.050 -0.041 0.000 0.866 446 N CB -0.282 38.248 38.487 0.072 0.000 0.980 446 N HN 0.465 nan 8.380 nan 0.000 0.430 447 K N -0.088 120.244 120.400 -0.114 0.000 2.099 447 K HA 0.082 4.402 4.320 -0.000 0.000 0.203 447 K C 1.018 177.534 176.600 -0.141 0.000 1.047 447 K CA 0.465 56.677 56.287 -0.125 0.000 0.963 447 K CB 0.225 32.643 32.500 -0.137 0.000 0.759 447 K HN -0.078 nan 8.250 nan 0.000 0.451 448 L N -0.106 121.006 121.223 -0.185 0.000 2.416 448 L HA 0.255 4.595 4.340 -0.000 0.000 0.216 448 L C 1.316 178.074 176.870 -0.188 0.000 1.098 448 L CA 1.490 56.183 54.840 -0.245 0.000 0.840 448 L CB -0.247 41.505 42.059 -0.512 0.000 0.981 448 L HN 0.582 nan 8.230 nan 0.000 0.462 449 G N -0.205 108.461 108.800 -0.224 0.000 2.132 449 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.234 449 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.234 449 G C 0.041 174.979 174.900 0.064 0.000 0.989 449 G CA 0.460 45.458 45.100 -0.171 0.000 0.676 449 G HN 0.472 nan 8.290 nan 0.000 0.522 450 Y N -3.874 116.427 120.300 0.002 0.000 2.687 450 Y HA 0.553 5.103 4.550 -0.000 0.000 0.338 450 Y C -0.630 175.413 175.900 0.239 0.000 1.189 450 Y CA -1.544 56.673 58.100 0.196 0.000 1.097 450 Y CB 0.585 39.100 38.460 0.092 0.000 1.342 450 Y HN 0.468 nan 8.280 nan 0.000 0.461 451 V N 3.496 123.631 119.914 0.367 0.000 2.385 451 V HA 0.414 4.534 4.120 -0.000 0.000 0.269 451 V C -2.183 174.009 176.094 0.162 0.000 1.043 451 V CA -1.661 60.740 62.300 0.167 0.000 0.906 451 V CB 0.732 32.640 31.823 0.141 0.000 0.995 451 V HN 0.599 nan 8.190 nan 0.000 0.467 452 P HA 0.107 nan 4.420 nan 0.000 0.274 452 P C 0.094 177.403 177.300 0.016 0.000 1.246 452 P CA -0.177 62.980 63.100 0.096 0.000 0.795 452 P CB 0.611 32.245 31.700 -0.111 0.000 1.006 453 Y N 1.364 121.632 120.300 -0.054 0.000 2.519 453 Y HA -0.029 4.521 4.550 0.000 0.000 0.287 453 Y C 0.590 176.432 175.900 -0.096 0.000 1.128 453 Y CA 1.058 59.102 58.100 -0.094 0.000 1.282 453 Y CB 0.125 38.536 38.460 -0.081 0.000 1.027 453 Y HN 0.249 nan 8.280 nan 0.000 0.551 454 D N -0.108 120.269 120.400 -0.039 0.000 2.891 454 D HA 0.087 4.727 4.640 -0.000 0.000 0.332 454 D C -0.033 176.197 176.300 -0.116 0.000 1.369 454 D CA 0.237 54.200 54.000 -0.063 0.000 0.827 454 D CB -0.322 40.522 40.800 0.073 0.000 1.141 454 D HN 0.180 nan 8.370 nan 0.000 0.464 455 V N -3.008 116.788 119.914 -0.196 0.000 3.017 455 V HA 0.441 4.561 4.120 -0.000 0.000 0.354 455 V C 0.293 176.294 176.094 -0.154 0.000 1.389 455 V CA -0.900 61.271 62.300 -0.214 0.000 1.163 455 V CB -0.320 31.204 31.823 -0.498 0.000 1.178 455 V HN 0.066 nan 8.190 nan 0.000 0.547 456 K N 0.558 120.877 120.400 -0.135 0.000 3.160 456 K HA -0.150 4.170 4.320 -0.000 0.000 0.280 456 K C -0.221 176.329 176.600 -0.083 0.000 1.154 456 K CA 1.337 57.568 56.287 -0.094 0.000 0.822 456 K CB -1.799 30.673 32.500 -0.047 0.000 1.239 456 K HN 0.789 nan 8.250 nan 0.000 0.489 457 I N 1.524 122.020 120.570 -0.123 0.000 2.460 457 I HA 0.158 4.328 4.170 -0.000 0.000 0.277 457 I C 0.147 176.188 176.117 -0.126 0.000 1.057 457 I CA -0.987 60.260 61.300 -0.089 0.000 1.179 457 I CB 0.916 38.875 38.000 -0.067 0.000 1.329 457 I HN 0.067 nan 8.210 nan 0.000 0.478 458 N N 4.987 123.630 118.700 -0.097 0.000 2.416 458 N HA 0.021 4.761 4.740 -0.000 0.000 0.246 458 N C 0.441 175.871 175.510 -0.134 0.000 1.260 458 N CA 0.395 53.376 53.050 -0.115 0.000 0.897 458 N CB 0.343 38.837 38.487 0.012 0.000 1.110 458 N HN 0.494 nan 8.380 nan 0.000 0.439 459 E N -1.177 118.890 120.200 -0.222 0.000 2.637 459 E HA -0.298 4.052 4.350 -0.000 0.000 0.265 459 E C 0.314 176.780 176.600 -0.224 0.000 1.073 459 E CA 0.729 56.993 56.400 -0.227 0.000 0.778 459 E CB -1.777 27.847 29.700 -0.127 0.000 1.362 459 E HN 0.735 nan 8.360 nan 0.000 0.413 460 N N 0.209 118.774 118.700 -0.226 0.000 2.149 460 N HA -0.185 4.555 4.740 -0.000 0.000 0.188 460 N C 1.804 177.212 175.510 -0.170 0.000 1.019 460 N CA 1.494 54.446 53.050 -0.163 0.000 0.857 460 N CB -0.186 38.229 38.487 -0.120 0.000 0.997 460 N HN 0.289 nan 8.380 nan 0.000 0.426 461 A N 0.597 123.234 122.820 -0.305 0.000 1.897 461 A HA 0.272 4.592 4.320 -0.000 0.000 0.215 461 A C 2.445 179.911 177.584 -0.197 0.000 1.181 461 A CA 1.409 53.272 52.037 -0.290 0.000 0.620 461 A CB -1.137 17.477 19.000 -0.642 0.000 0.821 461 A HN 0.445 nan 8.150 nan 0.000 0.443 462 A N 0.201 122.824 122.820 -0.329 0.000 1.883 462 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 462 A C 2.235 179.736 177.584 -0.138 0.000 1.186 462 A CA 1.669 53.489 52.037 -0.363 0.000 0.624 462 A CB -0.509 18.184 19.000 -0.513 0.000 0.822 462 A HN 0.561 nan 8.150 nan 0.000 0.444 463 R N -0.925 119.431 120.500 -0.241 0.000 2.083 463 R HA -0.108 4.232 4.340 -0.000 0.000 0.237 463 R C 2.349 178.211 176.300 -0.730 0.000 1.137 463 R CA 1.938 57.705 56.100 -0.554 0.000 0.951 463 R CB -1.005 28.980 30.300 -0.525 0.000 0.851 463 R HN 0.551 nan 8.270 nan 0.000 0.434 464 T N 1.808 116.209 114.554 -0.255 0.000 2.635 464 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 464 T C 1.947 176.782 174.700 0.225 0.000 1.040 464 T CA 1.391 63.549 62.100 0.096 0.000 1.156 464 T CB -0.293 68.733 68.868 0.263 0.000 0.863 464 T HN 0.117 nan 8.240 nan 0.000 0.430 465 L N 0.503 121.856 121.223 0.217 0.000 2.017 465 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 465 L C 2.803 179.909 176.870 0.393 0.000 1.073 465 L CA 1.513 56.559 54.840 0.343 0.000 0.745 465 L CB -0.538 41.727 42.059 0.344 0.000 0.894 465 L HN 0.318 nan 8.230 nan 0.000 0.432 466 E N -0.982 119.409 120.200 0.319 0.000 2.106 466 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 466 E C 2.196 179.005 176.600 0.349 0.000 0.984 466 E CA 1.015 57.638 56.400 0.372 0.000 0.806 466 E CB -0.053 29.849 29.700 0.337 0.000 0.750 466 E HN 0.402 nan 8.360 nan 0.000 0.458 467 Y N 0.545 120.924 120.300 0.133 0.000 2.181 467 Y HA -0.163 4.387 4.550 -0.000 0.000 0.288 467 Y C 2.366 178.371 175.900 0.173 0.000 1.146 467 Y CA 0.683 58.777 58.100 -0.010 0.000 1.164 467 Y CB -1.164 37.014 38.460 -0.471 0.000 0.982 467 Y HN 0.040 nan 8.280 nan 0.000 0.515 468 A N -0.440 122.688 122.820 0.513 0.000 1.883 468 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 468 A C 2.187 179.950 177.584 0.297 0.000 1.186 468 A CA 1.817 54.170 52.037 0.526 0.000 0.624 468 A CB -1.452 17.935 19.000 0.645 0.000 0.822 468 A HN 0.521 nan 8.150 nan 0.000 0.444 469 Y N 1.442 121.841 120.300 0.166 0.000 2.145 469 Y HA -0.201 4.349 4.550 -0.000 0.000 0.286 469 Y C 1.773 177.653 175.900 -0.034 0.000 1.145 469 Y CA 1.902 59.932 58.100 -0.117 0.000 1.148 469 Y CB -0.353 38.248 38.460 0.235 0.000 0.981 469 Y HN 0.367 nan 8.280 nan 0.000 0.507 470 D N 0.228 120.491 120.400 -0.227 0.000 2.182 470 D HA -0.185 4.455 4.640 -0.000 0.000 0.201 470 D C 1.604 177.766 176.300 -0.229 0.000 0.986 470 D CA 1.610 55.407 54.000 -0.337 0.000 0.847 470 D CB -0.287 40.438 40.800 -0.124 0.000 0.942 470 D HN 0.495 nan 8.370 nan 0.000 0.467 471 D N -0.458 119.931 120.400 -0.018 0.000 2.149 471 D HA -0.107 4.533 4.640 -0.000 0.000 0.201 471 D C 1.853 178.176 176.300 0.039 0.000 0.972 471 D CA 0.304 54.376 54.000 0.120 0.000 0.835 471 D CB -0.387 40.631 40.800 0.364 0.000 0.966 471 D HN 0.345 nan 8.370 nan 0.000 0.476 472 W N 1.457 122.601 121.300 -0.261 0.000 2.338 472 W HA -0.267 4.393 4.660 -0.000 0.000 0.304 472 W C 2.205 178.571 176.519 -0.255 0.000 1.212 472 W CA 1.197 58.350 57.345 -0.320 0.000 1.264 472 W CB -0.417 28.701 29.460 -0.571 0.000 1.142 472 W HN -0.051 nan 8.180 nan 0.000 0.512 473 C N 0.341 119.427 119.300 -0.356 0.000 2.413 473 C HA -0.199 4.261 4.460 -0.000 0.000 0.276 473 C C 2.698 177.333 174.990 -0.591 0.000 1.248 473 C CA 1.281 59.950 59.018 -0.581 0.000 1.742 473 C CB -1.494 25.943 27.740 -0.505 0.000 2.017 473 C HN 0.380 nan 8.230 nan 0.000 0.481 474 I N -0.383 119.885 120.570 -0.504 0.000 2.252 474 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 474 I C 2.475 178.280 176.117 -0.519 0.000 1.102 474 I CA 1.687 62.631 61.300 -0.593 0.000 1.385 474 I CB -0.626 36.844 38.000 -0.884 0.000 1.064 474 I HN 0.408 nan 8.210 nan 0.000 0.414 475 Y N 2.093 122.106 120.300 -0.479 0.000 2.102 475 Y HA -0.330 4.220 4.550 -0.000 0.000 0.280 475 Y C 2.747 178.403 175.900 -0.407 0.000 1.178 475 Y CA 1.624 59.536 58.100 -0.313 0.000 1.146 475 Y CB -0.172 38.134 38.460 -0.256 0.000 0.968 475 Y HN -0.030 nan 8.280 nan 0.000 0.504 476 R N -0.041 119.900 120.500 -0.931 0.000 2.091 476 R HA -0.175 4.165 4.340 -0.000 0.000 0.238 476 R C 2.217 178.129 176.300 -0.646 0.000 1.136 476 R CA 1.589 57.123 56.100 -0.943 0.000 0.959 476 R CB -1.035 28.662 30.300 -1.005 0.000 0.856 476 R HN 0.434 nan 8.270 nan 0.000 0.437 477 L N 0.706 121.603 121.223 -0.543 0.000 2.072 477 L HA 0.009 4.349 4.340 -0.000 0.000 0.205 477 L C 2.287 178.915 176.870 -0.404 0.000 1.079 477 L CA 1.782 56.351 54.840 -0.450 0.000 0.752 477 L CB -0.754 41.053 42.059 -0.420 0.000 0.906 477 L HN 0.112 nan 8.230 nan 0.000 0.436 478 A N -0.487 122.132 122.820 -0.335 0.000 1.908 478 A HA -0.307 4.013 4.320 -0.000 0.000 0.218 478 A C 2.444 179.842 177.584 -0.310 0.000 1.181 478 A CA 2.183 54.043 52.037 -0.295 0.000 0.627 478 A CB -0.632 18.315 19.000 -0.088 0.000 0.818 478 A HN 0.480 nan 8.150 nan 0.000 0.445 479 K N -0.483 119.695 120.400 -0.371 0.000 2.026 479 K HA -0.227 4.093 4.320 -0.000 0.000 0.208 479 K C 2.088 178.535 176.600 -0.255 0.000 1.048 479 K CA 1.798 57.893 56.287 -0.321 0.000 0.929 479 K CB -0.159 32.045 32.500 -0.494 0.000 0.713 479 K HN 0.434 nan 8.250 nan 0.000 0.439 480 E N 0.335 120.363 120.200 -0.287 0.000 2.118 480 E HA -0.171 4.179 4.350 -0.000 0.000 0.195 480 E C 1.325 177.812 176.600 -0.187 0.000 0.992 480 E CA 1.153 57.432 56.400 -0.202 0.000 0.804 480 E CB -0.098 29.489 29.700 -0.188 0.000 0.741 480 E HN 0.204 nan 8.360 nan 0.000 0.458 481 L N 1.151 122.211 121.223 -0.272 0.000 2.599 481 L HA 0.172 4.512 4.340 -0.000 0.000 0.230 481 L C 0.168 176.899 176.870 -0.231 0.000 1.141 481 L CA 0.768 55.441 54.840 -0.279 0.000 0.877 481 L CB -0.657 41.139 42.059 -0.439 0.000 1.009 481 L HN 0.134 nan 8.230 nan 0.000 0.447 482 K N 0.364 120.649 120.400 -0.191 0.000 3.257 482 K HA -0.210 4.110 4.320 -0.000 0.000 0.270 482 K C 0.012 176.522 176.600 -0.150 0.000 0.984 482 K CA 0.213 56.417 56.287 -0.139 0.000 0.739 482 K CB -1.044 31.397 32.500 -0.098 0.000 1.351 482 K HN 0.221 nan 8.250 nan 0.000 0.463 483 R N 0.013 120.398 120.500 -0.193 0.000 2.774 483 R HA 0.188 4.528 4.340 -0.000 0.000 0.269 483 R C -2.084 174.176 176.300 -0.067 0.000 1.068 483 R CA -1.974 54.024 56.100 -0.170 0.000 1.180 483 R CB -0.476 29.691 30.300 -0.221 0.000 1.077 483 R HN 0.027 nan 8.270 nan 0.000 0.513 484 P HA 0.038 nan 4.420 nan 0.000 0.266 484 P C 0.285 177.602 177.300 0.028 0.000 1.195 484 P CA 0.156 63.256 63.100 0.000 0.000 0.768 484 P CB 0.458 32.164 31.700 0.010 0.000 0.838 485 K N 2.203 122.620 120.400 0.029 0.000 2.173 485 K HA -0.255 4.065 4.320 -0.000 0.000 0.207 485 K C 1.822 178.459 176.600 0.062 0.000 1.046 485 K CA 1.663 57.980 56.287 0.049 0.000 0.929 485 K CB -0.107 32.415 32.500 0.037 0.000 0.720 485 K HN 0.414 nan 8.250 nan 0.000 0.453 486 K N 1.316 121.744 120.400 0.046 0.000 2.026 486 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 486 K C 1.806 178.441 176.600 0.059 0.000 1.048 486 K CA 1.615 57.926 56.287 0.039 0.000 0.929 486 K CB 0.094 32.607 32.500 0.023 0.000 0.713 486 K HN 0.166 nan 8.250 nan 0.000 0.439 487 E N 0.407 120.666 120.200 0.099 0.000 2.047 487 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 487 E C 2.113 178.886 176.600 0.288 0.000 0.987 487 E CA 1.442 57.956 56.400 0.190 0.000 0.799 487 E CB -0.107 29.738 29.700 0.241 0.000 0.752 487 E HN 0.330 nan 8.360 nan 0.000 0.449 488 I N 0.940 121.651 120.570 0.235 0.000 2.127 488 I HA -0.307 3.863 4.170 -0.000 0.000 0.241 488 I C 2.486 178.798 176.117 0.325 0.000 1.075 488 I CA 0.991 62.474 61.300 0.305 0.000 1.334 488 I CB -0.300 37.825 38.000 0.208 0.000 1.040 488 I HN 0.000 nan 8.210 nan 0.000 0.405 489 S N 0.761 116.576 115.700 0.191 0.000 2.383 489 S HA -0.197 4.273 4.470 -0.000 0.000 0.229 489 S C 1.912 176.552 174.600 0.067 0.000 1.030 489 S CA 1.375 59.648 58.200 0.122 0.000 1.002 489 S CB -0.461 62.780 63.200 0.069 0.000 0.829 489 S HN 0.301 nan 8.310 nan 0.000 0.467 490 L N 0.703 121.931 121.223 0.008 0.000 2.017 490 L HA -0.018 4.322 4.340 -0.000 0.000 0.208 490 L C 1.807 178.552 176.870 -0.208 0.000 1.073 490 L CA 1.831 56.573 54.840 -0.163 0.000 0.745 490 L CB -0.665 41.200 42.059 -0.324 0.000 0.894 490 L HN 0.214 nan 8.230 nan 0.000 0.432 491 F N -0.497 119.505 119.950 0.085 0.000 2.259 491 F HA 0.002 4.529 4.527 -0.000 0.000 0.298 491 F C 2.475 178.301 175.800 0.044 0.000 1.088 491 F CA 0.945 58.996 58.000 0.085 0.000 1.358 491 F CB -1.167 37.895 39.000 0.103 0.000 1.040 491 F HN 0.155 nan 8.300 nan 0.000 0.505 492 A N -0.025 122.886 122.820 0.153 0.000 1.933 492 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 492 A C 2.323 180.009 177.584 0.169 0.000 1.175 492 A CA 1.807 53.822 52.037 -0.036 0.000 0.628 492 A CB -0.659 18.299 19.000 -0.070 0.000 0.814 492 A HN 0.326 nan 8.150 nan 0.000 0.444 493 K N -0.448 120.011 120.400 0.099 0.000 2.025 493 K HA -0.104 4.216 4.320 -0.000 0.000 0.207 493 K C 2.255 178.903 176.600 0.080 0.000 1.049 493 K CA 1.205 57.533 56.287 0.069 0.000 0.933 493 K CB -0.215 32.285 32.500 -0.001 0.000 0.714 493 K HN 0.404 nan 8.250 nan 0.000 0.438 494 R N 0.087 120.623 120.500 0.061 0.000 2.127 494 R HA -0.097 4.243 4.340 -0.000 0.000 0.238 494 R C 2.247 178.690 176.300 0.238 0.000 1.134 494 R CA 1.149 57.305 56.100 0.092 0.000 0.975 494 R CB -0.314 30.043 30.300 0.096 0.000 0.865 494 R HN 0.267 nan 8.270 nan 0.000 0.447 495 A N 0.405 123.389 122.820 0.274 0.000 2.076 495 A HA -0.125 4.195 4.320 -0.000 0.000 0.220 495 A C 1.758 179.685 177.584 0.571 0.000 1.160 495 A CA 1.173 53.443 52.037 0.388 0.000 0.653 495 A CB -0.120 19.009 19.000 0.216 0.000 0.801 495 A HN 0.132 nan 8.150 nan 0.000 0.455 496 M N -0.010 119.788 119.600 0.332 0.000 2.495 496 M HA 0.091 4.571 4.480 -0.000 0.000 0.237 496 M C 0.740 176.947 176.300 -0.154 0.000 1.131 496 M CA 0.192 55.519 55.300 0.045 0.000 1.032 496 M CB -1.000 31.607 32.600 0.011 0.000 1.513 496 M HN 0.294 nan 8.290 nan 0.000 0.488 497 N N 0.777 119.527 118.700 0.083 0.000 2.364 497 N HA -0.181 4.559 4.740 -0.000 0.000 0.183 497 N C 1.506 177.101 175.510 0.142 0.000 1.022 497 N CA 1.022 54.129 53.050 0.096 0.000 0.883 497 N CB -0.494 38.090 38.487 0.162 0.000 0.965 497 N HN 0.622 nan 8.380 nan 0.000 0.438 498 Y N 0.548 121.002 120.300 0.256 0.000 2.315 498 Y HA -0.057 4.493 4.550 -0.000 0.000 0.288 498 Y C 1.698 177.689 175.900 0.153 0.000 1.154 498 Y CA 1.025 59.254 58.100 0.215 0.000 1.229 498 Y CB -0.519 38.062 38.460 0.202 0.000 0.980 498 Y HN -0.104 nan 8.280 nan 0.000 0.540 499 K N 0.529 120.672 120.400 -0.429 0.000 2.209 499 K HA -0.128 4.192 4.320 -0.000 0.000 0.204 499 K C 1.339 177.941 176.600 0.004 0.000 1.048 499 K CA 1.151 57.304 56.287 -0.223 0.000 0.940 499 K CB -0.247 32.031 32.500 -0.371 0.000 0.729 499 K HN 0.397 nan 8.250 nan 0.000 0.451 500 N N 0.749 119.450 118.700 0.002 0.000 2.453 500 N HA -0.075 4.665 4.740 -0.000 0.000 0.183 500 N C 1.153 176.624 175.510 -0.064 0.000 1.041 500 N CA 0.914 53.948 53.050 -0.027 0.000 0.900 500 N CB 0.177 38.679 38.487 0.026 0.000 0.961 500 N HN 0.223 nan 8.380 nan 0.000 0.443 501 L N -0.925 120.356 121.223 0.097 0.000 2.766 501 L HA 0.276 4.616 4.340 -0.000 0.000 0.242 501 L C -0.029 176.973 176.870 0.219 0.000 1.136 501 L CA -0.381 54.554 54.840 0.159 0.000 0.933 501 L CB 0.136 42.256 42.059 0.101 0.000 1.241 501 L HN -0.075 nan 8.230 nan 0.000 0.522 502 F N 1.998 121.998 119.950 0.084 0.000 2.472 502 F HA 0.155 4.682 4.527 -0.000 0.000 0.364 502 F C 0.490 176.183 175.800 -0.178 0.000 1.090 502 F CA -0.640 57.327 58.000 -0.056 0.000 1.188 502 F CB 0.533 39.524 39.000 -0.015 0.000 1.105 502 F HN -0.089 nan 8.300 nan 0.000 0.536 503 D N 5.915 125.648 120.400 -1.111 0.000 2.443 503 D HA 0.161 4.801 4.640 -0.000 0.000 0.221 503 D C 0.736 176.464 176.300 -0.953 0.000 1.097 503 D CA -0.231 53.053 54.000 -1.193 0.000 0.865 503 D CB 0.978 40.876 40.800 -1.504 0.000 1.034 503 D HN 0.604 nan 8.370 nan 0.000 0.511 504 K N 2.117 122.266 120.400 -0.418 0.000 2.160 504 K HA -0.192 4.128 4.320 -0.000 0.000 0.206 504 K C 1.476 177.964 176.600 -0.186 0.000 1.047 504 K CA 1.053 57.268 56.287 -0.121 0.000 0.930 504 K CB 0.269 32.796 32.500 0.045 0.000 0.720 504 K HN 0.532 nan 8.250 nan 0.000 0.450 505 E N 0.254 120.298 120.200 -0.260 0.000 2.107 505 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 505 E C 1.663 178.143 176.600 -0.201 0.000 0.982 505 E CA 1.413 57.700 56.400 -0.189 0.000 0.809 505 E CB 0.226 29.820 29.700 -0.176 0.000 0.756 505 E HN 0.321 nan 8.360 nan 0.000 0.459 506 S N -0.646 114.859 115.700 -0.326 0.000 2.517 506 S HA 0.124 4.594 4.470 -0.000 0.000 0.214 506 S C 0.610 174.993 174.600 -0.361 0.000 0.991 506 S CA -0.018 58.020 58.200 -0.269 0.000 0.906 506 S CB 0.234 63.312 63.200 -0.204 0.000 0.789 506 S HN 0.203 nan 8.310 nan 0.000 0.513 507 K N 0.313 120.410 120.400 -0.504 0.000 3.230 507 K HA -0.123 4.197 4.320 -0.000 0.000 0.285 507 K C -0.803 175.362 176.600 -0.725 0.000 1.196 507 K CA 0.688 56.670 56.287 -0.508 0.000 0.838 507 K CB -2.132 30.299 32.500 -0.116 0.000 1.262 507 K HN 0.477 nan 8.250 nan 0.000 0.492 508 L N 0.220 120.884 121.223 -0.931 0.000 2.333 508 L HA 0.515 4.855 4.340 -0.000 0.000 0.263 508 L C 0.388 176.816 176.870 -0.737 0.000 1.014 508 L CA -1.410 52.973 54.840 -0.760 0.000 0.820 508 L CB 1.370 43.043 42.059 -0.643 0.000 1.352 508 L HN -0.099 nan 8.230 nan 0.000 0.421 509 M N 1.828 121.184 119.600 -0.408 0.000 2.238 509 M HA 0.318 4.798 4.480 -0.000 0.000 0.347 509 M C -0.313 175.915 176.300 -0.119 0.000 1.173 509 M CA 0.486 55.687 55.300 -0.166 0.000 1.147 509 M CB 0.505 33.153 32.600 0.080 0.000 1.547 509 M HN 0.505 nan 8.290 nan 0.000 0.455 510 R N 0.206 120.591 120.500 -0.192 0.000 2.626 510 R HA 0.533 4.873 4.340 -0.000 0.000 0.274 510 R C -0.335 175.879 176.300 -0.142 0.000 1.031 510 R CA -0.472 55.408 56.100 -0.366 0.000 0.898 510 R CB 1.540 31.187 30.300 -1.088 0.000 1.222 510 R HN 0.906 nan 8.270 nan 0.000 0.455 511 G N 2.685 111.374 108.800 -0.186 0.000 2.353 511 G HA2 0.096 4.056 3.960 -0.000 0.000 0.239 511 G HA3 0.096 4.056 3.960 -0.000 0.000 0.239 511 G C -0.719 174.119 174.900 -0.103 0.000 1.295 511 G CA -0.143 44.875 45.100 -0.136 0.000 0.884 511 G HN 0.518 nan 8.290 nan 0.000 0.537 512 R N 1.880 122.330 120.500 -0.084 0.000 2.513 512 R HA 0.172 4.512 4.340 -0.000 0.000 0.301 512 R C -0.379 175.914 176.300 -0.012 0.000 0.968 512 R CA -0.865 55.090 56.100 -0.241 0.000 0.872 512 R CB 0.857 30.706 30.300 -0.751 0.000 1.177 512 R HN 0.585 nan 8.270 nan 0.000 0.444 513 N N 2.003 120.684 118.700 -0.031 0.000 2.415 513 N HA -0.085 4.655 4.740 -0.000 0.000 0.248 513 N C 0.762 176.342 175.510 0.117 0.000 1.271 513 N CA 0.152 53.240 53.050 0.063 0.000 0.913 513 N CB 0.921 39.416 38.487 0.013 0.000 1.129 513 N HN 0.708 nan 8.380 nan 0.000 0.444 514 E N 0.482 120.726 120.200 0.072 0.000 2.171 514 E HA -0.252 4.098 4.350 -0.000 0.000 0.197 514 E C 0.333 176.964 176.600 0.052 0.000 0.997 514 E CA 1.523 57.948 56.400 0.040 0.000 0.810 514 E CB 0.093 29.791 29.700 -0.004 0.000 0.738 514 E HN 0.597 nan 8.360 nan 0.000 0.467 515 D N -1.694 118.724 120.400 0.031 0.000 2.363 515 D HA 0.008 4.648 4.640 -0.000 0.000 0.226 515 D C 1.311 177.608 176.300 -0.006 0.000 1.020 515 D CA 0.933 54.939 54.000 0.009 0.000 0.892 515 D CB 0.215 41.012 40.800 -0.004 0.000 0.900 515 D HN 0.329 nan 8.370 nan 0.000 0.531 516 G N -0.153 108.647 108.800 -0.001 0.000 2.213 516 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.236 516 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.236 516 G C 0.517 175.265 174.900 -0.254 0.000 0.991 516 G CA 0.334 45.380 45.100 -0.091 0.000 0.629 516 G HN 0.797 nan 8.290 nan 0.000 0.517 517 T N -0.440 114.006 114.554 -0.180 0.000 2.918 517 T HA 0.589 4.939 4.350 -0.000 0.000 0.302 517 T C 0.341 174.877 174.700 -0.274 0.000 1.045 517 T CA -0.456 61.531 62.100 -0.189 0.000 1.114 517 T CB 1.204 70.024 68.868 -0.081 0.000 0.965 517 T HN 0.284 nan 8.240 nan 0.000 0.540 518 F N 2.022 121.866 119.950 -0.177 0.000 2.471 518 F HA 0.212 4.739 4.527 -0.000 0.000 0.353 518 F C 1.314 176.962 175.800 -0.254 0.000 1.113 518 F CA -0.394 57.453 58.000 -0.256 0.000 1.262 518 F CB 0.620 39.434 39.000 -0.310 0.000 1.146 518 F HN 0.609 nan 8.300 nan 0.000 0.578 519 Q N 2.725 122.454 119.800 -0.118 0.000 2.286 519 Q HA 0.051 4.391 4.340 -0.000 0.000 0.290 519 Q C -0.968 174.919 176.000 -0.188 0.000 1.049 519 Q CA 0.617 56.225 55.803 -0.325 0.000 0.923 519 Q CB 0.631 28.829 28.738 -0.900 0.000 1.183 519 Q HN 0.722 nan 8.270 nan 0.000 0.383 520 S N 4.557 120.187 115.700 -0.116 0.000 2.548 520 S HA 0.626 5.096 4.470 -0.000 0.000 0.286 520 S C -2.400 172.194 174.600 -0.010 0.000 1.098 520 S CA -0.990 57.190 58.200 -0.033 0.000 0.930 520 S CB 1.650 64.844 63.200 -0.010 0.000 1.070 520 S HN 0.651 nan 8.310 nan 0.000 0.480 521 P HA 0.328 nan 4.420 nan 0.000 0.275 521 P C -1.247 176.095 177.300 0.070 0.000 1.228 521 P CA -0.336 62.786 63.100 0.036 0.000 0.786 521 P CB 0.261 31.977 31.700 0.026 0.000 0.927 522 F N 1.849 121.745 119.950 -0.090 0.000 2.385 522 F HA 0.346 4.873 4.527 -0.000 0.000 0.360 522 F C -0.390 175.376 175.800 -0.056 0.000 1.122 522 F CA -0.617 57.319 58.000 -0.107 0.000 1.090 522 F CB 0.925 39.827 39.000 -0.164 0.000 1.150 522 F HN 0.143 nan 8.300 nan 0.000 0.472 523 S N 8.835 124.242 115.700 -0.489 0.000 2.474 523 S HA 0.268 4.738 4.470 -0.000 0.000 0.320 523 S C -1.911 172.236 174.600 -0.756 0.000 1.067 523 S CA -0.958 56.940 58.200 -0.504 0.000 1.127 523 S CB 1.190 64.296 63.200 -0.156 0.000 0.971 523 S HN 0.511 nan 8.310 nan 0.000 0.472 524 P HA 0.026 nan 4.420 nan 0.000 0.225 524 P C 0.579 177.798 177.300 -0.136 0.000 1.148 524 P CA 0.777 63.507 63.100 -0.618 0.000 0.779 524 P CB 0.139 31.617 31.700 -0.370 0.000 0.780 525 L N -1.753 119.442 121.223 -0.047 0.000 2.640 525 L HA 0.164 4.504 4.340 -0.000 0.000 0.230 525 L C 1.150 178.153 176.870 0.221 0.000 1.123 525 L CA -0.183 54.721 54.840 0.106 0.000 0.900 525 L CB -0.054 42.072 42.059 0.112 0.000 1.146 525 L HN -0.124 nan 8.230 nan 0.000 0.484 526 K N 0.590 121.080 120.400 0.149 0.000 2.297 526 K HA 0.069 4.389 4.320 -0.000 0.000 0.286 526 K C -1.040 175.784 176.600 0.373 0.000 1.053 526 K CA -0.547 55.909 56.287 0.282 0.000 0.940 526 K CB 0.586 33.190 32.500 0.173 0.000 1.019 526 K HN -0.120 nan 8.250 nan 0.000 0.475 527 W N 3.115 124.569 121.300 0.257 0.000 2.303 527 W HA 0.357 5.017 4.660 0.000 0.000 0.334 527 W C 1.034 177.728 176.519 0.292 0.000 1.197 527 W CA 1.151 58.700 57.345 0.339 0.000 1.262 527 W CB 0.661 30.376 29.460 0.426 0.000 1.153 527 W HN 1.000 nan 8.180 nan 0.000 0.596 528 G N 1.748 110.816 108.800 0.447 0.000 2.552 528 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.265 528 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.265 528 G C 0.457 175.024 174.900 -0.555 0.000 1.234 528 G CA 1.079 46.113 45.100 -0.109 0.000 0.944 528 G HN 0.791 nan 8.290 nan 0.000 0.568 529 D N -2.559 116.850 120.400 -1.651 0.000 4.508 529 D HA -0.190 4.450 4.640 -0.000 0.000 0.178 529 D C 2.159 178.128 176.300 -0.553 0.000 0.644 529 D CA 4.212 57.611 54.000 -1.002 0.000 1.244 529 D CB -1.555 39.024 40.800 -0.367 0.000 0.727 529 D HN 1.855 nan 8.370 nan 0.000 0.495 530 A N -0.540 122.073 122.820 -0.344 0.000 2.015 530 A HA 0.241 4.561 4.320 -0.000 0.000 0.219 530 A C 1.153 178.277 177.584 -0.766 0.000 1.163 530 A CA 1.445 53.181 52.037 -0.501 0.000 0.646 530 A CB -0.315 18.364 19.000 -0.534 0.000 0.806 530 A HN 0.259 nan 8.150 nan 0.000 0.448 531 F N -1.671 118.159 119.950 -0.200 0.000 2.613 531 F HA 0.539 5.066 4.527 -0.000 0.000 0.342 531 F C 0.640 176.352 175.800 -0.147 0.000 1.066 531 F CA -0.461 57.387 58.000 -0.252 0.000 1.002 531 F CB 1.271 40.175 39.000 -0.161 0.000 1.319 531 F HN -0.171 nan 8.300 nan 0.000 0.495 532 T N -0.791 113.876 114.554 0.190 0.000 2.772 532 T HA 0.331 4.681 4.350 -0.000 0.000 0.288 532 T C -0.562 174.417 174.700 0.465 0.000 0.994 532 T CA -0.412 61.855 62.100 0.280 0.000 0.951 532 T CB 0.180 69.127 68.868 0.133 0.000 0.933 532 T HN 0.693 nan 8.240 nan 0.000 0.447 533 E N 2.026 122.504 120.200 0.464 0.000 2.228 533 E HA -0.147 4.203 4.350 -0.000 0.000 0.213 533 E C 0.339 177.129 176.600 0.318 0.000 1.282 533 E CA 0.658 57.335 56.400 0.462 0.000 0.707 533 E CB -1.637 28.221 29.700 0.263 0.000 1.150 533 E HN 1.177 nan 8.360 nan 0.000 0.362 534 G N 0.199 109.085 108.800 0.144 0.000 2.368 534 G HA2 0.371 4.331 3.960 -0.000 0.000 0.293 534 G HA3 0.371 4.331 3.960 -0.000 0.000 0.293 534 G C -1.097 173.579 174.900 -0.374 0.000 1.467 534 G CA -0.385 44.465 45.100 -0.417 0.000 0.804 534 G HN 0.144 nan 8.290 nan 0.000 0.535 535 N N -1.464 116.802 118.700 -0.723 0.000 2.813 535 N HA 0.594 5.334 4.740 -0.000 0.000 0.320 535 N C 1.381 176.356 175.510 -0.892 0.000 1.315 535 N CA 0.195 52.877 53.050 -0.615 0.000 0.871 535 N CB 1.057 39.223 38.487 -0.535 0.000 1.241 535 N HN 0.518 nan 8.380 nan 0.000 0.602 536 S N -1.453 113.760 115.700 -0.810 0.000 2.382 536 S HA -0.072 4.398 4.470 -0.000 0.000 0.228 536 S C 1.025 175.208 174.600 -0.694 0.000 1.027 536 S CA 0.802 58.465 58.200 -0.896 0.000 0.991 536 S CB -0.618 62.377 63.200 -0.342 0.000 0.823 536 S HN 0.555 nan 8.310 nan 0.000 0.469 537 W N 1.037 122.007 121.300 -0.549 0.000 2.421 537 W HA -0.009 4.651 4.660 -0.000 0.000 0.270 537 W C 2.160 178.543 176.519 -0.226 0.000 1.233 537 W CA 1.186 58.295 57.345 -0.394 0.000 1.226 537 W CB -0.273 28.979 29.460 -0.346 0.000 1.121 537 W HN 0.596 nan 8.180 nan 0.000 0.579 538 H N -3.937 115.087 119.070 -0.077 0.000 2.399 538 H HA -0.009 4.547 4.556 -0.000 0.000 0.300 538 H C 1.333 176.586 175.328 -0.126 0.000 1.048 538 H CA 1.132 57.127 56.048 -0.088 0.000 1.370 538 H CB -0.355 29.232 29.762 -0.291 0.000 1.428 538 H HN 0.083 nan 8.280 nan 0.000 0.534 539 Y N 0.788 120.944 120.300 -0.241 0.000 2.517 539 Y HA -0.073 4.477 4.550 -0.000 0.000 0.281 539 Y C 2.190 177.955 175.900 -0.225 0.000 1.125 539 Y CA 0.511 58.497 58.100 -0.189 0.000 1.283 539 Y CB 0.422 38.716 38.460 -0.276 0.000 1.042 539 Y HN 0.117 nan 8.280 nan 0.000 0.547 540 T N -0.765 113.571 114.554 -0.363 0.000 2.849 540 T HA -0.246 4.104 4.350 -0.000 0.000 0.270 540 T C 0.910 175.315 174.700 -0.491 0.000 1.066 540 T CA 1.717 63.504 62.100 -0.522 0.000 1.130 540 T CB -0.454 67.864 68.868 -0.918 0.000 0.864 540 T HN 0.504 nan 8.240 nan 0.000 0.481 541 W N 1.244 122.485 121.300 -0.097 0.000 3.180 541 W HA 0.261 4.921 4.660 -0.000 0.000 0.254 541 W C 1.311 177.732 176.519 -0.164 0.000 1.318 541 W CA -0.513 56.765 57.345 -0.112 0.000 1.608 541 W CB -0.269 29.087 29.460 -0.174 0.000 1.124 541 W HN -0.055 nan 8.180 nan 0.000 0.694 542 S N 1.251 116.891 115.700 -0.100 0.000 3.864 542 S HA 0.167 4.637 4.470 -0.000 0.000 0.202 542 S C 0.245 174.516 174.600 -0.548 0.000 1.402 542 S CA 0.129 58.031 58.200 -0.497 0.000 1.072 542 S CB -0.550 62.662 63.200 0.020 0.000 1.383 542 S HN -0.055 nan 8.310 nan 0.000 0.458 543 V N 2.687 122.207 119.914 -0.656 0.000 2.454 543 V HA 0.223 4.343 4.120 -0.000 0.000 0.255 543 V C 0.436 176.200 176.094 -0.551 0.000 1.009 543 V CA -0.460 61.497 62.300 -0.572 0.000 1.149 543 V CB -0.624 30.740 31.823 -0.765 0.000 1.418 543 V HN 0.601 nan 8.190 nan 0.000 0.567 544 F N 0.642 120.434 119.950 -0.263 0.000 2.161 544 F HA -0.193 4.333 4.527 -0.000 0.000 0.300 544 F C 2.507 178.135 175.800 -0.287 0.000 1.089 544 F CA 2.034 59.823 58.000 -0.351 0.000 1.282 544 F CB -0.418 38.197 39.000 -0.642 0.000 1.010 544 F HN 0.634 nan 8.300 nan 0.000 0.485 545 H N -2.164 116.781 119.070 -0.208 0.000 2.551 545 H HA 0.148 4.704 4.556 -0.000 0.000 0.266 545 H C -0.179 174.997 175.328 -0.252 0.000 0.964 545 H CA 0.944 56.697 56.048 -0.492 0.000 1.180 545 H CB -0.129 28.983 29.762 -1.084 0.000 1.408 545 H HN 0.208 nan 8.280 nan 0.000 0.563 546 D N 0.423 120.432 120.400 -0.652 0.000 2.968 546 D HA 0.221 4.861 4.640 -0.000 0.000 0.301 546 D C -2.086 173.933 176.300 -0.467 0.000 1.226 546 D CA -1.819 51.901 54.000 -0.466 0.000 0.746 546 D CB 0.951 41.536 40.800 -0.359 0.000 1.278 546 D HN 0.010 nan 8.370 nan 0.000 0.544 547 P HA -0.152 nan 4.420 nan 0.000 0.217 547 P C 1.429 178.487 177.300 -0.402 0.000 1.150 547 P CA 0.935 63.733 63.100 -0.502 0.000 0.832 547 P CB 0.458 31.601 31.700 -0.929 0.000 0.787 548 Q N 0.156 119.789 119.800 -0.278 0.000 2.096 548 Q HA -0.126 4.214 4.340 -0.000 0.000 0.204 548 Q C 2.196 178.076 176.000 -0.201 0.000 0.982 548 Q CA 2.342 58.014 55.803 -0.219 0.000 0.850 548 Q CB -1.567 27.088 28.738 -0.139 0.000 0.901 548 Q HN 0.196 nan 8.270 nan 0.000 0.422 549 G N 0.338 109.040 108.800 -0.163 0.000 2.440 549 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 549 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 549 G C 1.304 176.146 174.900 -0.096 0.000 1.154 549 G CA 0.965 46.028 45.100 -0.061 0.000 0.767 549 G HN 0.418 nan 8.290 nan 0.000 0.552 550 L N 0.695 121.804 121.223 -0.191 0.000 2.072 550 L HA 0.176 4.516 4.340 -0.000 0.000 0.205 550 L C 2.657 179.455 176.870 -0.121 0.000 1.079 550 L CA 1.127 55.869 54.840 -0.163 0.000 0.752 550 L CB -0.408 41.588 42.059 -0.104 0.000 0.906 550 L HN 0.261 nan 8.230 nan 0.000 0.436 551 I N -0.218 120.193 120.570 -0.264 0.000 2.208 551 I HA -0.315 3.855 4.170 -0.000 0.000 0.245 551 I C 2.001 178.048 176.117 -0.118 0.000 1.097 551 I CA 1.482 62.606 61.300 -0.293 0.000 1.363 551 I CB -0.533 37.150 38.000 -0.529 0.000 1.051 551 I HN 0.296 nan 8.210 nan 0.000 0.413 552 D N 0.781 121.094 120.400 -0.145 0.000 2.117 552 D HA -0.120 4.520 4.640 -0.000 0.000 0.198 552 D C 2.353 178.563 176.300 -0.151 0.000 0.982 552 D CA 1.148 55.079 54.000 -0.115 0.000 0.828 552 D CB -0.347 40.387 40.800 -0.110 0.000 0.967 552 D HN 0.284 nan 8.370 nan 0.000 0.464 553 L N 0.079 121.134 121.223 -0.280 0.000 2.127 553 L HA -0.133 4.207 4.340 -0.000 0.000 0.211 553 L C 2.411 179.028 176.870 -0.421 0.000 1.089 553 L CA 0.900 55.395 54.840 -0.576 0.000 0.757 553 L CB -0.255 41.081 42.059 -1.205 0.000 0.899 553 L HN 0.037 nan 8.230 nan 0.000 0.434 554 M N -1.337 118.177 119.600 -0.143 0.000 2.558 554 M HA 0.088 4.568 4.480 -0.000 0.000 0.255 554 M C 1.181 177.556 176.300 0.125 0.000 1.113 554 M CA 0.870 56.260 55.300 0.150 0.000 1.097 554 M CB 0.300 33.053 32.600 0.256 0.000 1.426 554 M HN 0.423 nan 8.290 nan 0.000 0.488 555 G N 0.911 109.744 108.800 0.054 0.000 2.131 555 G HA2 0.026 3.986 3.960 -0.000 0.000 0.201 555 G HA3 0.026 3.986 3.960 -0.000 0.000 0.201 555 G C 0.265 175.201 174.900 0.061 0.000 1.000 555 G CA -0.186 44.946 45.100 0.054 0.000 0.680 555 G HN 0.889 nan 8.290 nan 0.000 0.514 556 G N -0.794 108.040 108.800 0.057 0.000 2.440 556 G HA2 0.379 4.339 3.960 -0.000 0.000 0.684 556 G HA3 0.379 4.339 3.960 -0.000 0.000 0.684 556 G C 0.645 175.609 174.900 0.107 0.000 1.309 556 G CA 0.354 45.487 45.100 0.055 0.000 0.931 556 G HN 1.308 nan 8.290 nan 0.000 0.612 557 K N -0.247 120.203 120.400 0.083 0.000 2.097 557 K HA -0.087 4.233 4.320 -0.000 0.000 0.206 557 K C 1.828 178.564 176.600 0.227 0.000 1.049 557 K CA 2.284 58.651 56.287 0.134 0.000 0.933 557 K CB -0.125 32.423 32.500 0.080 0.000 0.717 557 K HN 0.469 nan 8.250 nan 0.000 0.442 558 E N 1.553 121.857 120.200 0.173 0.000 2.038 558 E HA -0.166 4.184 4.350 -0.000 0.000 0.195 558 E C 2.075 178.791 176.600 0.194 0.000 1.000 558 E CA 1.711 58.215 56.400 0.172 0.000 0.803 558 E CB -0.401 29.377 29.700 0.130 0.000 0.750 558 E HN 0.265 nan 8.360 nan 0.000 0.448 559 M N -0.491 119.222 119.600 0.189 0.000 2.132 559 M HA -0.029 4.451 4.480 -0.000 0.000 0.263 559 M C 1.959 178.405 176.300 0.242 0.000 1.065 559 M CA 1.195 56.608 55.300 0.188 0.000 1.122 559 M CB -0.196 32.500 32.600 0.160 0.000 1.365 559 M HN 0.123 nan 8.290 nan 0.000 0.411 560 F N -0.102 119.925 119.950 0.128 0.000 2.095 560 F HA -0.247 4.280 4.527 -0.000 0.000 0.298 560 F C 1.984 177.891 175.800 0.179 0.000 1.104 560 F CA 1.604 59.701 58.000 0.161 0.000 1.232 560 F CB -0.241 38.831 39.000 0.119 0.000 0.987 560 F HN -0.180 nan 8.300 nan 0.000 0.475 561 V N -0.228 119.868 119.914 0.302 0.000 2.358 561 V HA -0.302 3.818 4.120 -0.000 0.000 0.246 561 V C 2.291 178.497 176.094 0.186 0.000 1.047 561 V CA 2.349 64.788 62.300 0.232 0.000 1.035 561 V CB -0.954 31.052 31.823 0.306 0.000 0.658 561 V HN 0.445 nan 8.190 nan 0.000 0.452 562 T N -0.081 114.584 114.554 0.184 0.000 2.665 562 T HA -0.243 4.107 4.350 -0.000 0.000 0.268 562 T C 1.972 176.776 174.700 0.172 0.000 1.035 562 T CA 1.728 63.930 62.100 0.169 0.000 1.151 562 T CB -0.301 68.660 68.868 0.156 0.000 0.862 562 T HN 0.196 nan 8.240 nan 0.000 0.438 563 M N 0.446 120.153 119.600 0.178 0.000 2.080 563 M HA 0.002 4.481 4.480 -0.000 0.000 0.260 563 M C 2.401 178.881 176.300 0.300 0.000 1.068 563 M CA 1.584 57.052 55.300 0.281 0.000 1.109 563 M CB -1.076 31.656 32.600 0.220 0.000 1.342 563 M HN 0.329 nan 8.290 nan 0.000 0.405 564 M N -0.127 119.489 119.600 0.027 0.000 2.086 564 M HA -0.226 4.254 4.480 -0.000 0.000 0.261 564 M C 1.606 177.882 176.300 -0.040 0.000 1.067 564 M CA 1.543 56.662 55.300 -0.301 0.000 1.116 564 M CB -0.736 31.390 32.600 -0.789 0.000 1.348 564 M HN 0.175 nan 8.290 nan 0.000 0.407 565 D N 0.346 120.854 120.400 0.180 0.000 2.182 565 D HA -0.127 4.513 4.640 -0.000 0.000 0.201 565 D C 2.118 178.512 176.300 0.158 0.000 0.986 565 D CA 1.871 56.049 54.000 0.296 0.000 0.847 565 D CB -0.305 40.662 40.800 0.277 0.000 0.942 565 D HN 0.410 nan 8.370 nan 0.000 0.467 566 S N -0.121 115.617 115.700 0.063 0.000 2.428 566 S HA -0.079 4.391 4.470 -0.000 0.000 0.230 566 S C 2.202 176.635 174.600 -0.279 0.000 1.014 566 S CA 0.496 58.657 58.200 -0.065 0.000 0.957 566 S CB -0.453 62.721 63.200 -0.044 0.000 0.784 566 S HN 0.070 nan 8.310 nan 0.000 0.499 567 V N 1.169 120.890 119.914 -0.321 0.000 2.282 567 V HA -0.179 3.941 4.120 -0.000 0.000 0.249 567 V C 2.239 178.024 176.094 -0.515 0.000 1.057 567 V CA 2.173 64.175 62.300 -0.497 0.000 1.032 567 V CB -1.088 30.405 31.823 -0.550 0.000 0.645 567 V HN 0.530 nan 8.190 nan 0.000 0.447 568 F N 0.424 120.208 119.950 -0.276 0.000 2.259 568 F HA 0.089 4.616 4.527 -0.000 0.000 0.298 568 F C 2.310 178.041 175.800 -0.116 0.000 1.088 568 F CA 1.033 58.848 58.000 -0.310 0.000 1.358 568 F CB -0.864 37.715 39.000 -0.702 0.000 1.040 568 F HN 0.092 nan 8.300 nan 0.000 0.505 569 A N 0.199 123.061 122.820 0.071 0.000 2.021 569 A HA 0.142 4.462 4.320 -0.000 0.000 0.216 569 A C 1.147 178.733 177.584 0.004 0.000 1.163 569 A CA 0.679 52.761 52.037 0.075 0.000 0.676 569 A CB -1.076 17.970 19.000 0.077 0.000 0.818 569 A HN 0.083 nan 8.150 nan 0.000 0.453 570 V N -2.832 117.029 119.914 -0.088 0.000 3.133 570 V HA 0.420 4.540 4.120 -0.000 0.000 0.305 570 V C -2.675 173.385 176.094 -0.057 0.000 1.084 570 V CA -2.292 59.941 62.300 -0.112 0.000 1.089 570 V CB -0.099 31.575 31.823 -0.249 0.000 1.073 570 V HN 0.148 nan 8.190 nan 0.000 0.477 571 P HA 0.274 nan 4.420 nan 0.000 0.272 571 P C -2.505 174.806 177.300 0.017 0.000 1.230 571 P CA -1.520 61.582 63.100 0.003 0.000 0.788 571 P CB -0.252 31.450 31.700 0.003 0.000 0.949 572 P HA 0.158 nan 4.420 nan 0.000 0.220 572 P C -0.129 177.307 177.300 0.228 0.000 1.778 572 P CA -0.168 63.016 63.100 0.140 0.000 0.912 572 P CB -0.490 31.294 31.700 0.141 0.000 1.861 573 I N 1.556 122.211 120.570 0.141 0.000 2.634 573 I HA 0.379 4.549 4.170 -0.000 0.000 0.284 573 I C -0.462 175.798 176.117 0.239 0.000 1.124 573 I CA -0.266 61.094 61.300 0.099 0.000 1.417 573 I CB -0.019 37.968 38.000 -0.022 0.000 1.396 573 I HN 0.019 nan 8.210 nan 0.000 0.571 574 F N 4.038 124.041 119.950 0.087 0.000 2.664 574 F HA 0.655 5.182 4.527 -0.000 0.000 0.317 574 F C -1.457 174.411 175.800 0.115 0.000 1.108 574 F CA -1.123 56.974 58.000 0.162 0.000 0.957 574 F CB 0.998 40.035 39.000 0.062 0.000 1.365 574 F HN 0.436 nan 8.300 nan 0.000 0.475 575 D N 0.861 121.473 120.400 0.353 0.000 2.696 575 D HA 0.218 4.858 4.640 -0.000 0.000 0.251 575 D C -0.895 175.646 176.300 0.401 0.000 1.188 575 D CA -0.443 53.687 54.000 0.217 0.000 0.876 575 D CB 1.670 42.564 40.800 0.156 0.000 1.334 575 D HN 0.729 nan 8.370 nan 0.000 0.540 576 D N 1.270 121.888 120.400 0.363 0.000 2.402 576 D HA -0.028 4.612 4.640 -0.000 0.000 0.216 576 D C 1.064 177.549 176.300 0.310 0.000 1.128 576 D CA -0.108 54.121 54.000 0.382 0.000 0.833 576 D CB -0.007 41.001 40.800 0.346 0.000 0.971 576 D HN 0.193 nan 8.370 nan 0.000 0.503 577 S N -0.350 115.491 115.700 0.234 0.000 2.400 577 S HA -0.264 4.206 4.470 -0.000 0.000 0.232 577 S C 1.913 176.598 174.600 0.142 0.000 1.025 577 S CA 0.546 58.843 58.200 0.161 0.000 0.993 577 S CB -1.042 62.232 63.200 0.124 0.000 0.808 577 S HN 0.385 nan 8.310 nan 0.000 0.478 578 Y N 1.636 121.937 120.300 0.002 0.000 2.274 578 Y HA -0.143 4.407 4.550 0.000 0.000 0.290 578 Y C 1.652 177.382 175.900 -0.283 0.000 1.145 578 Y CA 1.207 59.199 58.100 -0.179 0.000 1.203 578 Y CB -0.362 37.921 38.460 -0.295 0.000 0.984 578 Y HN 0.274 nan 8.280 nan 0.000 0.533 579 Y N -1.184 119.155 120.300 0.065 0.000 2.476 579 Y HA 0.263 4.813 4.550 -0.000 0.000 0.283 579 Y C 2.181 178.062 175.900 -0.031 0.000 1.109 579 Y CA 0.548 58.623 58.100 -0.042 0.000 1.246 579 Y CB -0.163 38.311 38.460 0.023 0.000 1.068 579 Y HN 0.089 nan 8.280 nan 0.000 0.552 580 G N 0.567 109.450 108.800 0.139 0.000 2.159 580 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.256 580 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.256 580 G C -0.082 174.883 174.900 0.108 0.000 0.977 580 G CA 0.421 45.578 45.100 0.095 0.000 0.652 580 G HN 0.514 nan 8.290 nan 0.000 0.531 581 Q N -2.384 117.496 119.800 0.134 0.000 2.721 581 Q HA 0.512 4.852 4.340 -0.000 0.000 0.282 581 Q C -0.728 175.295 176.000 0.039 0.000 0.932 581 Q CA -0.991 54.870 55.803 0.097 0.000 0.816 581 Q CB 1.097 29.897 28.738 0.102 0.000 1.506 581 Q HN 0.512 nan 8.270 nan 0.000 0.399 582 V N 2.969 122.881 119.914 -0.004 0.000 2.242 582 V HA 0.128 4.248 4.120 -0.000 0.000 0.242 582 V C 0.772 176.713 176.094 -0.254 0.000 1.240 582 V CA -0.159 62.040 62.300 -0.168 0.000 1.211 582 V CB -1.834 29.908 31.823 -0.135 0.000 1.338 582 V HN 0.642 nan 8.190 nan 0.000 0.499 583 I N 0.452 120.806 120.570 -0.360 0.000 3.003 583 I HA 0.028 4.198 4.170 -0.000 0.000 0.294 583 I C 1.841 177.670 176.117 -0.480 0.000 1.237 583 I CA 0.090 61.122 61.300 -0.445 0.000 1.417 583 I CB 0.048 37.654 38.000 -0.657 0.000 1.340 583 I HN 0.728 nan 8.210 nan 0.000 0.594 584 H N 2.059 120.902 119.070 -0.378 0.000 2.390 584 H HA -0.179 4.377 4.556 -0.000 0.000 0.298 584 H C 1.500 176.669 175.328 -0.266 0.000 1.106 584 H CA 1.904 57.795 56.048 -0.262 0.000 1.297 584 H CB -0.456 29.219 29.762 -0.146 0.000 1.375 584 H HN 0.767 nan 8.280 nan 0.000 0.509 585 E N 0.687 120.365 120.200 -0.870 0.000 2.118 585 E HA -0.101 4.249 4.350 -0.000 0.000 0.195 585 E C 2.135 178.436 176.600 -0.498 0.000 0.992 585 E CA 1.633 57.710 56.400 -0.537 0.000 0.804 585 E CB -0.123 29.329 29.700 -0.413 0.000 0.741 585 E HN 0.642 nan 8.360 nan 0.000 0.458 586 I N -0.101 119.941 120.570 -0.881 0.000 2.233 586 I HA -0.184 3.986 4.170 -0.000 0.000 0.243 586 I C 2.410 178.122 176.117 -0.676 0.000 1.093 586 I CA 0.708 61.313 61.300 -1.158 0.000 1.380 586 I CB -0.066 36.958 38.000 -1.626 0.000 1.067 586 I HN -0.016 nan 8.210 nan 0.000 0.413 587 R N 1.481 121.676 120.500 -0.509 0.000 2.081 587 R HA -0.180 4.160 4.340 -0.000 0.000 0.235 587 R C 2.008 178.212 176.300 -0.161 0.000 1.131 587 R CA 1.636 57.564 56.100 -0.286 0.000 0.960 587 R CB -0.306 29.884 30.300 -0.184 0.000 0.856 587 R HN 0.320 nan 8.270 nan 0.000 0.436 588 E N -0.323 119.798 120.200 -0.133 0.000 2.058 588 E HA -0.259 4.091 4.350 -0.000 0.000 0.194 588 E C 1.929 178.498 176.600 -0.052 0.000 0.997 588 E CA 1.855 58.221 56.400 -0.056 0.000 0.801 588 E CB -0.227 29.459 29.700 -0.024 0.000 0.746 588 E HN 0.354 nan 8.360 nan 0.000 0.450 589 M N 0.789 120.345 119.600 -0.073 0.000 2.117 589 M HA -0.177 4.303 4.480 -0.000 0.000 0.262 589 M C 2.286 178.590 176.300 0.007 0.000 1.065 589 M CA 2.099 57.391 55.300 -0.014 0.000 1.114 589 M CB -0.350 32.290 32.600 0.068 0.000 1.361 589 M HN 0.234 nan 8.290 nan 0.000 0.408 590 T N -1.528 113.005 114.554 -0.035 0.000 2.833 590 T HA -0.084 4.266 4.350 -0.000 0.000 0.269 590 T C 1.497 176.216 174.700 0.032 0.000 1.054 590 T CA 1.441 63.553 62.100 0.019 0.000 1.135 590 T CB -1.361 67.516 68.868 0.015 0.000 0.869 590 T HN 0.461 nan 8.240 nan 0.000 0.466 591 V N -1.925 117.997 119.914 0.013 0.000 3.306 591 V HA 0.231 4.351 4.120 -0.000 0.000 0.264 591 V C 2.150 178.264 176.094 0.033 0.000 1.149 591 V CA 0.458 62.771 62.300 0.022 0.000 1.143 591 V CB -0.895 30.935 31.823 0.012 0.000 0.767 591 V HN 0.212 nan 8.190 nan 0.000 0.476 592 M N 0.781 120.406 119.600 0.041 0.000 2.541 592 M HA 0.264 4.744 4.480 -0.000 0.000 0.252 592 M C 1.136 177.483 176.300 0.078 0.000 1.125 592 M CA 0.305 55.637 55.300 0.055 0.000 1.091 592 M CB -1.554 31.081 32.600 0.058 0.000 1.420 592 M HN 0.693 nan 8.290 nan 0.000 0.486 593 N N 1.033 119.783 118.700 0.083 0.000 2.738 593 N HA -0.195 4.545 4.740 -0.000 0.000 0.249 593 N C -0.541 175.053 175.510 0.141 0.000 1.047 593 N CA 0.580 53.688 53.050 0.098 0.000 0.707 593 N CB -0.994 37.541 38.487 0.081 0.000 0.937 593 N HN 0.467 nan 8.380 nan 0.000 0.545 594 M N -0.596 119.099 119.600 0.158 0.000 3.181 594 M HA 0.289 4.769 4.480 -0.000 0.000 0.422 594 M C 1.242 177.646 176.300 0.174 0.000 1.481 594 M CA 0.176 55.610 55.300 0.224 0.000 0.783 594 M CB 0.608 33.383 32.600 0.290 0.000 1.437 594 M HN 0.383 nan 8.290 nan 0.000 0.505 595 G N 1.854 110.722 108.800 0.112 0.000 2.556 595 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.283 595 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.283 595 G C 0.288 175.207 174.900 0.032 0.000 1.177 595 G CA 0.238 45.361 45.100 0.039 0.000 0.978 595 G HN 0.569 nan 8.290 nan 0.000 0.554 596 N N 0.277 118.952 118.700 -0.043 0.000 2.276 596 N HA 0.082 4.822 4.740 -0.000 0.000 0.212 596 N C -0.036 175.507 175.510 0.055 0.000 1.127 596 N CA 0.013 53.095 53.050 0.053 0.000 0.834 596 N CB 0.197 38.666 38.487 -0.028 0.000 1.014 596 N HN 0.427 nan 8.380 nan 0.000 0.491 597 Y N 2.093 122.287 120.300 -0.177 0.000 2.573 597 Y HA 0.213 4.763 4.550 0.000 0.000 0.346 597 Y C 0.386 176.221 175.900 -0.108 0.000 1.198 597 Y CA -0.979 56.985 58.100 -0.228 0.000 1.627 597 Y CB -0.249 38.051 38.460 -0.267 0.000 1.457 597 Y HN -0.020 nan 8.280 nan 0.000 0.483 598 A N 4.787 127.258 122.820 -0.581 0.000 3.063 598 A HA 0.067 4.387 4.320 -0.000 0.000 0.263 598 A C 1.230 178.446 177.584 -0.614 0.000 1.736 598 A CA -0.138 51.595 52.037 -0.507 0.000 1.408 598 A CB -1.115 17.535 19.000 -0.584 0.000 1.108 598 A HN 1.007 nan 8.150 nan 0.000 0.621 599 H N 1.259 119.863 119.070 -0.777 0.000 2.456 599 H HA -0.072 4.484 4.556 -0.000 0.000 0.296 599 H C 2.011 177.113 175.328 -0.378 0.000 1.079 599 H CA 1.964 57.608 56.048 -0.675 0.000 1.322 599 H CB 0.170 29.673 29.762 -0.432 0.000 1.388 599 H HN 0.530 nan 8.280 nan 0.000 0.538 600 G N -0.820 107.836 108.800 -0.240 0.000 2.708 600 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.210 600 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.210 600 G C 0.129 174.938 174.900 -0.151 0.000 1.141 600 G CA 0.299 45.303 45.100 -0.160 0.000 0.788 600 G HN 0.339 nan 8.290 nan 0.000 0.531 601 N N -2.045 116.519 118.700 -0.228 0.000 2.357 601 N HA 0.344 5.084 4.740 -0.000 0.000 0.284 601 N C 0.782 176.163 175.510 -0.215 0.000 1.236 601 N CA -0.668 52.307 53.050 -0.126 0.000 0.774 601 N CB 1.613 40.089 38.487 -0.018 0.000 1.534 601 N HN -0.193 nan 8.380 nan 0.000 0.478 602 Q N 0.571 120.293 119.800 -0.130 0.000 2.119 602 Q HA 0.078 4.418 4.340 -0.000 0.000 0.201 602 Q C -1.177 174.653 176.000 -0.285 0.000 0.972 602 Q CA 1.803 57.444 55.803 -0.270 0.000 0.847 602 Q CB -0.818 27.649 28.738 -0.452 0.000 0.903 602 Q HN 0.594 nan 8.270 nan 0.000 0.433 603 P HA -0.171 nan 4.420 nan 0.000 0.215 603 P C 0.913 178.134 177.300 -0.131 0.000 1.157 603 P CA 1.150 64.061 63.100 -0.314 0.000 0.874 603 P CB 0.045 31.431 31.700 -0.524 0.000 0.790 604 I N -1.186 119.263 120.570 -0.203 0.000 3.684 604 I HA -0.057 4.113 4.170 -0.000 0.000 0.304 604 I C 1.842 177.886 176.117 -0.123 0.000 1.278 604 I CA 0.450 61.644 61.300 -0.178 0.000 1.272 604 I CB -0.195 37.618 38.000 -0.312 0.000 1.029 604 I HN -0.083 nan 8.210 nan 0.000 0.458 605 Q N 0.055 119.820 119.800 -0.058 0.000 2.226 605 Q HA -0.235 4.105 4.340 -0.000 0.000 0.204 605 Q C 1.728 177.946 176.000 0.362 0.000 0.975 605 Q CA 1.539 57.350 55.803 0.014 0.000 0.866 605 Q CB -0.126 28.537 28.738 -0.124 0.000 0.915 605 Q HN 0.716 nan 8.270 nan 0.000 0.440 606 H N -0.912 118.334 119.070 0.293 0.000 2.548 606 H HA 0.089 4.645 4.556 -0.000 0.000 0.265 606 H C 1.741 177.258 175.328 0.315 0.000 0.969 606 H CA 0.278 56.541 56.048 0.358 0.000 1.155 606 H CB -0.270 29.771 29.762 0.465 0.000 1.394 606 H HN 0.209 nan 8.280 nan 0.000 0.570 607 M N 1.305 120.601 119.600 -0.506 0.000 2.080 607 M HA -0.143 4.337 4.480 -0.000 0.000 0.260 607 M C 1.829 177.947 176.300 -0.302 0.000 1.068 607 M CA 1.496 56.430 55.300 -0.610 0.000 1.109 607 M CB -0.217 31.985 32.600 -0.664 0.000 1.342 607 M HN 0.243 nan 8.290 nan 0.000 0.405 608 I N -0.504 120.012 120.570 -0.089 0.000 2.264 608 I HA -0.336 3.834 4.170 -0.000 0.000 0.248 608 I C 1.914 178.055 176.117 0.040 0.000 1.111 608 I CA 1.493 62.770 61.300 -0.038 0.000 1.382 608 I CB -0.730 37.254 38.000 -0.027 0.000 1.060 608 I HN 0.265 nan 8.210 nan 0.000 0.418 609 Y N -0.047 120.343 120.300 0.149 0.000 2.384 609 Y HA -0.214 4.336 4.550 -0.000 0.000 0.289 609 Y C 2.190 178.282 175.900 0.320 0.000 1.152 609 Y CA 0.540 58.784 58.100 0.241 0.000 1.258 609 Y CB -0.299 38.328 38.460 0.279 0.000 0.979 609 Y HN 0.118 nan 8.280 nan 0.000 0.549 610 L N -1.479 119.935 121.223 0.317 0.000 2.265 610 L HA -0.232 4.108 4.340 -0.000 0.000 0.215 610 L C 1.733 178.813 176.870 0.350 0.000 1.117 610 L CA 1.348 56.382 54.840 0.324 0.000 0.782 610 L CB -1.367 40.759 42.059 0.111 0.000 0.914 610 L HN 0.259 nan 8.230 nan 0.000 0.441 611 Y N 0.121 120.554 120.300 0.222 0.000 2.207 611 Y HA -0.274 4.276 4.550 -0.000 0.000 0.287 611 Y C 2.344 178.311 175.900 0.111 0.000 1.156 611 Y CA 1.441 59.621 58.100 0.133 0.000 1.182 611 Y CB -0.583 37.877 38.460 -0.001 0.000 0.979 611 Y HN 0.265 nan 8.280 nan 0.000 0.521 612 D N -1.262 119.325 120.400 0.311 0.000 2.133 612 D HA -0.224 4.416 4.640 -0.000 0.000 0.195 612 D C 1.816 178.181 176.300 0.109 0.000 0.997 612 D CA 1.643 55.747 54.000 0.174 0.000 0.840 612 D CB -0.607 40.288 40.800 0.158 0.000 0.947 612 D HN 0.383 nan 8.370 nan 0.000 0.452 613 Y N 0.146 120.512 120.300 0.109 0.000 2.421 613 Y HA 0.078 4.628 4.550 -0.000 0.000 0.292 613 Y C 2.121 177.991 175.900 -0.050 0.000 1.136 613 Y CA 0.841 58.950 58.100 0.015 0.000 1.255 613 Y CB -0.087 38.347 38.460 -0.042 0.000 0.991 613 Y HN -0.052 nan 8.280 nan 0.000 0.552 614 A N -0.732 122.181 122.820 0.155 0.000 2.345 614 A HA 0.475 4.795 4.320 -0.000 0.000 0.225 614 A C 1.833 179.470 177.584 0.088 0.000 1.243 614 A CA 0.575 52.671 52.037 0.098 0.000 0.875 614 A CB -0.779 18.380 19.000 0.264 0.000 0.929 614 A HN 0.500 nan 8.150 nan 0.000 0.502 615 G N -0.753 108.084 108.800 0.061 0.000 2.137 615 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.237 615 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.237 615 G C 0.000 174.836 174.900 -0.108 0.000 1.002 615 G CA 0.354 45.477 45.100 0.038 0.000 0.702 615 G HN 0.580 nan 8.290 nan 0.000 0.515 616 Q N -0.624 119.003 119.800 -0.288 0.000 2.719 616 Q HA 0.180 4.520 4.340 -0.000 0.000 0.376 616 Q C -1.680 173.816 176.000 -0.840 0.000 0.856 616 Q CA -1.379 53.798 55.803 -1.042 0.000 1.038 616 Q CB 1.714 29.968 28.738 -0.807 0.000 1.418 616 Q HN 0.356 nan 8.270 nan 0.000 0.395 617 P HA -0.184 nan 4.420 nan 0.000 0.221 617 P C 0.862 178.170 177.300 0.014 0.000 1.145 617 P CA 1.079 64.153 63.100 -0.043 0.000 0.795 617 P CB -0.145 31.634 31.700 0.131 0.000 0.775 618 W N 1.317 122.686 121.300 0.114 0.000 2.374 618 W HA 0.039 4.699 4.660 -0.000 0.000 0.288 618 W C 1.847 178.461 176.519 0.159 0.000 1.218 618 W CA 0.850 58.301 57.345 0.176 0.000 1.245 618 W CB -1.506 27.978 29.460 0.040 0.000 1.126 618 W HN -0.157 nan 8.180 nan 0.000 0.545 619 K N 0.698 120.838 120.400 -0.434 0.000 2.097 619 K HA -0.053 4.267 4.320 -0.000 0.000 0.205 619 K C 2.500 178.916 176.600 -0.306 0.000 1.050 619 K CA 1.512 57.497 56.287 -0.502 0.000 0.938 619 K CB -0.487 31.293 32.500 -1.200 0.000 0.718 619 K HN 0.244 nan 8.250 nan 0.000 0.442 620 A N 1.400 124.115 122.820 -0.176 0.000 1.877 620 A HA -0.233 4.087 4.320 -0.000 0.000 0.216 620 A C 2.038 179.614 177.584 -0.014 0.000 1.186 620 A CA 1.362 53.417 52.037 0.030 0.000 0.620 620 A CB -0.490 18.556 19.000 0.077 0.000 0.822 620 A HN 0.287 nan 8.150 nan 0.000 0.443 621 Q N -1.928 117.906 119.800 0.056 0.000 2.096 621 Q HA -0.237 4.103 4.340 -0.000 0.000 0.204 621 Q C 1.997 177.962 176.000 -0.059 0.000 0.982 621 Q CA 2.086 57.926 55.803 0.061 0.000 0.850 621 Q CB -0.424 28.448 28.738 0.223 0.000 0.901 621 Q HN 0.854 nan 8.270 nan 0.000 0.422 622 Y N -0.698 119.500 120.300 -0.169 0.000 2.133 622 Y HA -0.254 4.296 4.550 -0.000 0.000 0.287 622 Y C 1.542 177.062 175.900 -0.633 0.000 1.134 622 Y CA 1.635 59.456 58.100 -0.466 0.000 1.133 622 Y CB -0.358 37.856 38.460 -0.410 0.000 0.987 622 Y HN 0.127 nan 8.280 nan 0.000 0.502 623 W N 0.180 121.287 121.300 -0.321 0.000 2.418 623 W HA -0.098 4.562 4.660 -0.000 0.000 0.292 623 W C 2.177 178.439 176.519 -0.428 0.000 1.213 623 W CA 0.907 57.960 57.345 -0.487 0.000 1.283 623 W CB -0.339 28.799 29.460 -0.537 0.000 1.119 623 W HN 0.068 nan 8.180 nan 0.000 0.542 624 L N -0.046 121.099 121.223 -0.129 0.000 2.046 624 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 624 L C 2.617 179.380 176.870 -0.179 0.000 1.077 624 L CA 1.163 55.937 54.840 -0.111 0.000 0.747 624 L CB -0.766 41.177 42.059 -0.195 0.000 0.896 624 L HN -0.127 nan 8.230 nan 0.000 0.432 625 R N -0.038 120.241 120.500 -0.368 0.000 2.081 625 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 625 R C 2.350 178.375 176.300 -0.458 0.000 1.131 625 R CA 1.390 57.209 56.100 -0.467 0.000 0.960 625 R CB -0.401 29.447 30.300 -0.753 0.000 0.856 625 R HN 0.297 nan 8.270 nan 0.000 0.436 626 Q N -0.157 119.294 119.800 -0.581 0.000 2.045 626 Q HA -0.148 4.192 4.340 -0.000 0.000 0.206 626 Q C 2.165 178.068 176.000 -0.161 0.000 0.991 626 Q CA 2.014 57.560 55.803 -0.429 0.000 0.851 626 Q CB -0.632 27.831 28.738 -0.458 0.000 0.911 626 Q HN 0.279 nan 8.270 nan 0.000 0.418 627 V N 1.070 120.938 119.914 -0.077 0.000 2.295 627 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 627 V C 2.438 178.627 176.094 0.158 0.000 1.049 627 V CA 1.817 64.122 62.300 0.009 0.000 1.024 627 V CB -0.558 31.232 31.823 -0.055 0.000 0.648 627 V HN 0.344 nan 8.190 nan 0.000 0.447 628 M N -0.453 119.234 119.600 0.146 0.000 2.159 628 M HA -0.187 4.293 4.480 -0.000 0.000 0.263 628 M C 1.897 178.312 176.300 0.190 0.000 1.063 628 M CA 1.789 57.213 55.300 0.206 0.000 1.110 628 M CB -0.519 32.051 32.600 -0.050 0.000 1.374 628 M HN 0.333 nan 8.290 nan 0.000 0.411 629 D N -0.358 120.052 120.400 0.018 0.000 2.162 629 D HA -0.045 4.595 4.640 -0.000 0.000 0.203 629 D C 2.003 178.316 176.300 0.021 0.000 0.967 629 D CA 1.099 55.089 54.000 -0.018 0.000 0.840 629 D CB 0.018 40.742 40.800 -0.126 0.000 0.972 629 D HN 0.347 nan 8.370 nan 0.000 0.482 630 R N -0.848 119.670 120.500 0.029 0.000 2.221 630 R HA 0.239 4.579 4.340 -0.000 0.000 0.195 630 R C 1.485 177.808 176.300 0.039 0.000 0.956 630 R CA 0.108 56.219 56.100 0.018 0.000 1.064 630 R CB 0.343 30.640 30.300 -0.006 0.000 1.049 630 R HN 0.048 nan 8.270 nan 0.000 0.534 631 M N -0.162 119.490 119.600 0.086 0.000 2.428 631 M HA 0.187 4.667 4.480 -0.000 0.000 0.239 631 M C -0.684 175.518 176.300 -0.164 0.000 1.121 631 M CA 0.503 55.795 55.300 -0.012 0.000 1.019 631 M CB 0.244 32.814 32.600 -0.049 0.000 1.485 631 M HN -0.061 nan 8.290 nan 0.000 0.484 632 Y N 0.135 120.426 120.300 -0.015 0.000 2.331 632 Y HA 0.405 4.955 4.550 0.000 0.000 0.326 632 Y C 0.378 176.185 175.900 -0.154 0.000 1.020 632 Y CA -1.242 56.780 58.100 -0.131 0.000 1.136 632 Y CB 1.413 39.755 38.460 -0.197 0.000 1.157 632 Y HN 0.006 nan 8.280 nan 0.000 0.444 633 T N -0.192 114.314 114.554 -0.081 0.000 2.916 633 T HA 0.448 4.798 4.350 -0.000 0.000 0.292 633 T C -2.544 172.081 174.700 -0.125 0.000 1.055 633 T CA -2.517 59.537 62.100 -0.077 0.000 1.009 633 T CB 2.600 71.433 68.868 -0.060 0.000 1.118 633 T HN 0.279 nan 8.240 nan 0.000 0.497 634 P HA 0.210 nan 4.420 nan 0.000 0.255 634 P C 0.922 178.183 177.300 -0.066 0.000 1.248 634 P CA 0.014 63.074 63.100 -0.066 0.000 0.807 634 P CB -0.222 31.478 31.700 -0.000 0.000 1.150 635 G N 1.816 110.566 108.800 -0.084 0.000 2.553 635 G HA2 0.183 4.143 3.960 -0.000 0.000 0.278 635 G HA3 0.183 4.143 3.960 -0.000 0.000 0.278 635 G C -1.598 173.216 174.900 -0.144 0.000 1.349 635 G CA -1.049 43.985 45.100 -0.110 0.000 1.037 635 G HN -0.071 nan 8.290 nan 0.000 0.508 636 P HA 0.006 nan 4.420 nan 0.000 0.220 636 P C 0.506 177.727 177.300 -0.132 0.000 1.148 636 P CA 1.138 64.061 63.100 -0.295 0.000 0.803 636 P CB 0.171 31.343 31.700 -0.879 0.000 0.782 637 D N -1.334 118.994 120.400 -0.120 0.000 2.894 637 D HA 0.130 4.770 4.640 -0.000 0.000 0.248 637 D C 1.464 177.740 176.300 -0.040 0.000 1.291 637 D CA -0.490 53.488 54.000 -0.036 0.000 0.840 637 D CB -0.954 39.826 40.800 -0.034 0.000 1.044 637 D HN 0.024 nan 8.370 nan 0.000 0.484 638 G N -0.440 108.317 108.800 -0.072 0.000 2.448 638 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.218 638 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.218 638 G C 0.182 174.897 174.900 -0.309 0.000 1.135 638 G CA 0.351 45.327 45.100 -0.206 0.000 0.784 638 G HN 0.272 nan 8.290 nan 0.000 0.543 639 Y N -1.109 119.143 120.300 -0.080 0.000 2.432 639 Y HA 0.330 4.880 4.550 -0.000 0.000 0.322 639 Y C 1.662 177.469 175.900 -0.155 0.000 1.246 639 Y CA -0.963 57.033 58.100 -0.173 0.000 1.268 639 Y CB 1.067 39.464 38.460 -0.105 0.000 1.276 639 Y HN 0.070 nan 8.280 nan 0.000 0.499 640 C N -1.497 117.781 119.300 -0.037 0.000 2.754 640 C HA 0.784 5.244 4.460 -0.000 0.000 0.276 640 C C 0.724 175.722 174.990 0.014 0.000 1.264 640 C CA 0.093 59.094 59.018 -0.029 0.000 1.700 640 C CB -1.515 26.183 27.740 -0.070 0.000 1.885 640 C HN 0.974 nan 8.230 nan 0.000 0.607 641 G N -0.449 108.381 108.800 0.050 0.000 2.321 641 G HA2 0.380 4.340 3.960 -0.000 0.000 0.296 641 G HA3 0.380 4.340 3.960 -0.000 0.000 0.296 641 G C -2.205 172.721 174.900 0.042 0.000 1.287 641 G CA -0.622 44.519 45.100 0.067 0.000 0.846 641 G HN 0.063 nan 8.290 nan 0.000 0.508 642 D N 0.460 120.915 120.400 0.093 0.000 2.533 642 D HA 0.157 4.797 4.640 -0.000 0.000 0.236 642 D C 1.300 177.549 176.300 -0.084 0.000 1.137 642 D CA -0.040 53.995 54.000 0.058 0.000 0.867 642 D CB 1.560 42.481 40.800 0.202 0.000 1.170 642 D HN 0.426 nan 8.370 nan 0.000 0.474 643 E N 1.641 121.698 120.200 -0.238 0.000 2.107 643 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 643 E C -0.386 176.145 176.600 -0.115 0.000 0.982 643 E CA 0.613 56.773 56.400 -0.400 0.000 0.809 643 E CB 0.140 29.471 29.700 -0.616 0.000 0.756 643 E HN 0.436 nan 8.360 nan 0.000 0.459 644 D N 0.539 120.921 120.400 -0.030 0.000 2.760 644 D HA -0.214 4.426 4.640 -0.000 0.000 0.244 644 D C -0.663 175.662 176.300 0.041 0.000 1.123 644 D CA 0.998 55.038 54.000 0.067 0.000 0.719 644 D CB -1.938 38.953 40.800 0.151 0.000 1.045 644 D HN 0.427 nan 8.370 nan 0.000 0.426 645 N N -1.307 117.363 118.700 -0.050 0.000 2.714 645 N HA -0.228 4.512 4.740 -0.000 0.000 0.250 645 N C 1.099 176.707 175.510 0.163 0.000 1.117 645 N CA 1.698 54.716 53.050 -0.054 0.000 0.719 645 N CB -1.115 37.232 38.487 -0.233 0.000 1.081 645 N HN 0.761 nan 8.380 nan 0.000 0.557 646 G N -1.410 107.471 108.800 0.135 0.000 2.316 646 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.203 646 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.203 646 G C 0.654 175.661 174.900 0.179 0.000 0.999 646 G CA 0.689 45.883 45.100 0.157 0.000 0.649 646 G HN 0.424 nan 8.290 nan 0.000 0.489 647 Q N 1.340 121.237 119.800 0.161 0.000 2.002 647 Q HA -0.011 4.329 4.340 -0.000 0.000 0.204 647 Q C 2.458 178.624 176.000 0.277 0.000 0.988 647 Q CA 3.259 59.177 55.803 0.191 0.000 0.843 647 Q CB -1.028 27.782 28.738 0.119 0.000 0.908 647 Q HN 0.472 nan 8.270 nan 0.000 0.420 648 T N 0.048 114.731 114.554 0.216 0.000 2.833 648 T HA -0.065 4.285 4.350 -0.000 0.000 0.269 648 T C 1.941 176.992 174.700 0.585 0.000 1.054 648 T CA 1.211 63.499 62.100 0.313 0.000 1.135 648 T CB -0.271 68.667 68.868 0.117 0.000 0.869 648 T HN 0.240 nan 8.240 nan 0.000 0.466 649 S N 1.338 117.312 115.700 0.455 0.000 2.357 649 S HA 0.075 4.545 4.470 -0.000 0.000 0.221 649 S C 2.607 177.452 174.600 0.408 0.000 1.031 649 S CA 0.831 59.324 58.200 0.488 0.000 0.982 649 S CB -0.484 62.912 63.200 0.328 0.000 0.853 649 S HN 0.580 nan 8.310 nan 0.000 0.458 650 A N 0.230 123.258 122.820 0.347 0.000 2.019 650 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 650 A C 1.753 179.612 177.584 0.458 0.000 1.164 650 A CA 1.174 53.391 52.037 0.300 0.000 0.644 650 A CB -1.002 18.165 19.000 0.278 0.000 0.805 650 A HN 0.707 nan 8.150 nan 0.000 0.449 651 W N -0.656 120.899 121.300 0.425 0.000 2.318 651 W HA -0.306 4.354 4.660 0.000 0.000 0.313 651 W C 2.047 178.793 176.519 0.379 0.000 1.221 651 W CA 2.283 59.936 57.345 0.513 0.000 1.266 651 W CB -0.438 29.313 29.460 0.485 0.000 1.150 651 W HN 0.478 nan 8.180 nan 0.000 0.496 652 Y N -0.078 120.503 120.300 0.469 0.000 2.242 652 Y HA -0.224 4.326 4.550 0.000 0.000 0.291 652 Y C 2.274 178.150 175.900 -0.040 0.000 1.137 652 Y CA 2.412 60.551 58.100 0.065 0.000 1.181 652 Y CB -0.736 37.544 38.460 -0.300 0.000 0.989 652 Y HN -0.181 nan 8.280 nan 0.000 0.527 653 V N -0.316 119.633 119.914 0.058 0.000 2.255 653 V HA -0.323 3.797 4.120 -0.000 0.000 0.247 653 V C 2.112 178.129 176.094 -0.128 0.000 1.051 653 V CA 2.151 64.331 62.300 -0.199 0.000 1.018 653 V CB -0.967 30.656 31.823 -0.334 0.000 0.641 653 V HN 0.322 nan 8.190 nan 0.000 0.445 654 F N 1.007 120.886 119.950 -0.119 0.000 2.095 654 F HA -0.189 4.338 4.527 -0.000 0.000 0.298 654 F C 2.745 178.335 175.800 -0.350 0.000 1.104 654 F CA 2.049 59.913 58.000 -0.227 0.000 1.232 654 F CB -0.815 38.143 39.000 -0.070 0.000 0.987 654 F HN 0.048 nan 8.300 nan 0.000 0.475 655 S N -0.388 115.186 115.700 -0.209 0.000 2.402 655 S HA -0.114 4.356 4.470 -0.000 0.000 0.229 655 S C 2.279 176.680 174.600 -0.332 0.000 1.021 655 S CA 0.844 58.820 58.200 -0.373 0.000 0.974 655 S CB -0.634 62.029 63.200 -0.895 0.000 0.800 655 S HN 0.367 nan 8.310 nan 0.000 0.484 656 A N 1.352 123.956 122.820 -0.360 0.000 1.969 656 A HA 0.063 4.383 4.320 -0.000 0.000 0.218 656 A C 2.004 179.515 177.584 -0.122 0.000 1.169 656 A CA 0.934 52.803 52.037 -0.280 0.000 0.635 656 A CB -0.575 18.357 19.000 -0.114 0.000 0.810 656 A HN 0.466 nan 8.150 nan 0.000 0.445 657 L N -1.814 119.318 121.223 -0.153 0.000 2.217 657 L HA 0.093 4.433 4.340 -0.000 0.000 0.211 657 L C 1.806 178.493 176.870 -0.305 0.000 1.107 657 L CA 0.886 55.568 54.840 -0.265 0.000 0.783 657 L CB -0.266 41.494 42.059 -0.499 0.000 0.919 657 L HN 0.600 nan 8.230 nan 0.000 0.442 658 G N -0.403 108.224 108.800 -0.290 0.000 2.159 658 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.170 658 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.170 658 G C -0.051 174.967 174.900 0.197 0.000 1.007 658 G CA -0.107 44.981 45.100 -0.020 0.000 0.672 658 G HN 0.287 nan 8.290 nan 0.000 0.507 659 F N -2.273 117.799 119.950 0.204 0.000 2.779 659 F HA 0.859 5.386 4.527 -0.000 0.000 0.316 659 F C -1.021 174.840 175.800 0.102 0.000 1.164 659 F CA -2.645 55.476 58.000 0.202 0.000 0.924 659 F CB 1.215 40.328 39.000 0.189 0.000 1.348 659 F HN 0.282 nan 8.300 nan 0.000 0.467 660 Y N 0.943 121.201 120.300 -0.070 0.000 2.424 660 Y HA 0.484 5.034 4.550 -0.000 0.000 0.323 660 Y C -2.958 172.684 175.900 -0.431 0.000 1.174 660 Y CA -2.095 55.643 58.100 -0.603 0.000 1.060 660 Y CB 2.980 40.704 38.460 -1.227 0.000 1.314 660 Y HN 0.450 nan 8.280 nan 0.000 0.439 661 P HA 0.098 nan 4.420 nan 0.000 0.231 661 P C 0.656 177.665 177.300 -0.485 0.000 1.811 661 P CA 0.289 62.999 63.100 -0.649 0.000 1.051 661 P CB 0.610 31.940 31.700 -0.617 0.000 1.951 662 V N 1.034 120.890 119.914 -0.097 0.000 2.278 662 V HA -0.238 3.882 4.120 -0.000 0.000 0.251 662 V C 1.439 177.577 176.094 0.074 0.000 1.062 662 V CA 1.909 64.329 62.300 0.200 0.000 1.038 662 V CB -0.422 31.628 31.823 0.379 0.000 0.646 662 V HN 0.519 nan 8.190 nan 0.000 0.447 663 C N 2.141 121.451 119.300 0.017 0.000 2.492 663 C HA 0.519 4.979 4.460 -0.000 0.000 0.284 663 C C -2.529 172.475 174.990 0.024 0.000 1.082 663 C CA -2.296 56.729 59.018 0.012 0.000 1.555 663 C CB -0.379 27.378 27.740 0.028 0.000 1.798 663 C HN 0.307 nan 8.230 nan 0.000 0.413 664 P HA 0.313 nan 4.420 nan 0.000 0.267 664 P C 0.898 178.332 177.300 0.223 0.000 1.200 664 P CA 1.863 65.002 63.100 0.066 0.000 0.772 664 P CB 0.542 32.305 31.700 0.105 0.000 0.855 665 G N 0.741 109.596 108.800 0.093 0.000 2.232 665 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.226 665 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.226 665 G C 0.434 175.397 174.900 0.104 0.000 0.996 665 G CA 0.317 45.476 45.100 0.098 0.000 0.626 665 G HN 0.832 nan 8.290 nan 0.000 0.509 666 T N -0.965 113.665 114.554 0.126 0.000 2.849 666 T HA 0.524 4.874 4.350 -0.000 0.000 0.276 666 T C 0.774 175.375 174.700 -0.166 0.000 0.971 666 T CA 0.614 62.683 62.100 -0.052 0.000 0.949 666 T CB 1.592 70.397 68.868 -0.105 0.000 1.093 666 T HN 0.358 nan 8.240 nan 0.000 0.545 667 D N -1.326 118.972 120.400 -0.170 0.000 2.388 667 D HA 0.133 4.773 4.640 -0.000 0.000 0.221 667 D C -0.048 176.118 176.300 -0.223 0.000 1.133 667 D CA -0.337 53.551 54.000 -0.187 0.000 0.831 667 D CB -0.127 40.627 40.800 -0.076 0.000 0.962 667 D HN 0.702 nan 8.370 nan 0.000 0.502 668 E N -0.080 119.937 120.200 -0.305 0.000 2.195 668 E HA 0.378 4.728 4.350 -0.000 0.000 0.271 668 E C -1.101 175.224 176.600 -0.459 0.000 0.923 668 E CA -0.837 55.434 56.400 -0.216 0.000 0.790 668 E CB 1.537 31.183 29.700 -0.091 0.000 1.155 668 E HN 0.127 nan 8.360 nan 0.000 0.402 669 Y N 0.460 120.816 120.300 0.093 0.000 2.331 669 Y HA 0.290 4.840 4.550 -0.000 0.000 0.334 669 Y C -0.183 175.810 175.900 0.156 0.000 0.960 669 Y CA -1.030 57.109 58.100 0.065 0.000 1.130 669 Y CB 1.340 39.832 38.460 0.054 0.000 1.164 669 Y HN 0.202 nan 8.280 nan 0.000 0.458 670 V N 4.790 124.856 119.914 0.253 0.000 2.498 670 V HA 0.164 4.284 4.120 -0.000 0.000 0.279 670 V C 0.264 176.587 176.094 0.382 0.000 1.048 670 V CA -0.737 61.733 62.300 0.284 0.000 0.967 670 V CB 1.117 33.097 31.823 0.262 0.000 0.988 670 V HN 0.731 nan 8.190 nan 0.000 0.473 671 M N 4.678 124.520 119.600 0.404 0.000 2.238 671 M HA 0.453 4.933 4.480 -0.000 0.000 0.350 671 M C 0.645 177.240 176.300 0.491 0.000 1.321 671 M CA 0.741 56.295 55.300 0.422 0.000 1.097 671 M CB 0.566 33.353 32.600 0.313 0.000 1.713 671 M HN 0.813 nan 8.290 nan 0.000 0.455 672 G N 1.557 110.646 108.800 0.483 0.000 3.414 672 G HA2 0.500 4.460 3.960 -0.000 0.000 0.196 672 G HA3 0.500 4.460 3.960 -0.000 0.000 0.196 672 G C -0.967 174.025 174.900 0.155 0.000 1.486 672 G CA -0.180 45.090 45.100 0.284 0.000 0.811 672 G HN 0.608 nan 8.290 nan 0.000 0.704 673 T N 1.950 116.542 114.554 0.062 0.000 2.991 673 T HA 0.610 4.960 4.350 -0.000 0.000 0.303 673 T C -2.913 171.770 174.700 -0.028 0.000 1.015 673 T CA -1.264 60.856 62.100 0.034 0.000 1.007 673 T CB 2.041 70.920 68.868 0.019 0.000 1.034 673 T HN 0.243 nan 8.240 nan 0.000 0.446 674 P HA 0.208 nan 4.420 nan 0.000 0.272 674 P C 0.356 177.574 177.300 -0.137 0.000 1.223 674 P CA -0.517 62.547 63.100 -0.060 0.000 0.784 674 P CB 1.133 32.830 31.700 -0.004 0.000 0.923 675 L N 1.184 122.258 121.223 -0.247 0.000 2.357 675 L HA 0.315 4.655 4.340 -0.000 0.000 0.211 675 L C 0.587 177.136 176.870 -0.536 0.000 1.075 675 L CA 1.031 55.590 54.840 -0.469 0.000 0.830 675 L CB -0.324 41.283 42.059 -0.753 0.000 0.996 675 L HN 0.157 nan 8.230 nan 0.000 0.467 676 F N -0.520 119.348 119.950 -0.138 0.000 2.411 676 F HA 0.342 4.869 4.527 -0.000 0.000 0.324 676 F C 1.613 177.369 175.800 -0.073 0.000 1.086 676 F CA -0.529 57.403 58.000 -0.113 0.000 1.028 676 F CB 0.615 39.531 39.000 -0.141 0.000 1.284 676 F HN -0.328 nan 8.300 nan 0.000 0.501 677 K N -0.034 120.468 120.400 0.170 0.000 2.167 677 K HA 0.003 4.323 4.320 -0.000 0.000 0.203 677 K C 0.266 176.906 176.600 0.066 0.000 1.052 677 K CA 1.038 57.375 56.287 0.084 0.000 0.956 677 K CB 0.239 32.782 32.500 0.072 0.000 0.735 677 K HN 0.350 nan 8.250 nan 0.000 0.451 678 K N 0.043 120.485 120.400 0.071 0.000 2.501 678 K HA 0.468 4.788 4.320 -0.000 0.000 0.252 678 K C -2.048 174.524 176.600 -0.047 0.000 0.934 678 K CA -0.500 55.793 56.287 0.011 0.000 0.797 678 K CB 2.179 34.679 32.500 0.001 0.000 1.270 678 K HN -0.008 nan 8.250 nan 0.000 0.431 679 A N 2.244 125.021 122.820 -0.072 0.000 2.393 679 A HA 0.635 4.955 4.320 -0.000 0.000 0.306 679 A C -1.150 176.341 177.584 -0.155 0.000 1.050 679 A CA -0.584 51.364 52.037 -0.148 0.000 0.724 679 A CB 1.765 20.682 19.000 -0.138 0.000 1.248 679 A HN 0.554 nan 8.150 nan 0.000 0.424 680 T N 3.006 117.427 114.554 -0.222 0.000 2.812 680 T HA 0.567 4.917 4.350 -0.000 0.000 0.282 680 T C -0.495 173.900 174.700 -0.508 0.000 0.990 680 T CA -0.232 61.670 62.100 -0.330 0.000 0.960 680 T CB 0.705 69.379 68.868 -0.325 0.000 0.948 680 T HN 0.476 nan 8.240 nan 0.000 0.438 681 L N 3.947 124.819 121.223 -0.585 0.000 2.295 681 L HA 0.480 4.820 4.340 -0.000 0.000 0.285 681 L C -0.044 176.211 176.870 -1.025 0.000 1.035 681 L CA -1.026 53.358 54.840 -0.760 0.000 0.806 681 L CB 0.789 42.391 42.059 -0.761 0.000 1.214 681 L HN 0.569 nan 8.230 nan 0.000 0.426 682 H N 3.836 122.574 119.070 -0.554 0.000 2.623 682 H HA 0.335 4.891 4.556 -0.000 0.000 0.299 682 H C -0.536 174.535 175.328 -0.429 0.000 1.052 682 H CA -0.549 55.238 56.048 -0.435 0.000 1.231 682 H CB 0.666 30.290 29.762 -0.229 0.000 1.389 682 H HN 0.276 nan 8.280 nan 0.000 0.469 683 F N 0.823 120.719 119.950 -0.091 0.000 2.382 683 F HA 0.090 4.617 4.527 -0.000 0.000 0.331 683 F C 1.981 177.654 175.800 -0.213 0.000 1.121 683 F CA -0.500 57.355 58.000 -0.242 0.000 1.183 683 F CB 0.808 39.533 39.000 -0.457 0.000 1.207 683 F HN 0.467 nan 8.300 nan 0.000 0.555 684 E N 0.553 120.736 120.200 -0.028 0.000 2.265 684 E HA -0.228 4.122 4.350 -0.000 0.000 0.196 684 E C 1.419 177.980 176.600 -0.065 0.000 0.996 684 E CA 1.195 57.570 56.400 -0.040 0.000 0.832 684 E CB -0.193 29.494 29.700 -0.022 0.000 0.756 684 E HN 0.568 nan 8.360 nan 0.000 0.491 685 N N -0.231 118.382 118.700 -0.145 0.000 2.521 685 N HA -0.035 4.705 4.740 -0.000 0.000 0.188 685 N C 1.155 176.635 175.510 -0.050 0.000 1.146 685 N CA 1.041 54.017 53.050 -0.122 0.000 0.893 685 N CB 0.347 38.698 38.487 -0.226 0.000 0.975 685 N HN 0.166 nan 8.380 nan 0.000 0.451 686 G N -1.022 107.769 108.800 -0.016 0.000 2.199 686 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.254 686 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.254 686 G C -0.210 174.713 174.900 0.038 0.000 0.982 686 G CA 0.065 45.169 45.100 0.007 0.000 0.632 686 G HN 0.499 nan 8.290 nan 0.000 0.529 687 N N 0.615 119.357 118.700 0.069 0.000 2.493 687 N HA 0.663 5.403 4.740 -0.000 0.000 0.275 687 N C -0.217 175.389 175.510 0.159 0.000 1.186 687 N CA 0.280 53.406 53.050 0.126 0.000 0.978 687 N CB 1.439 40.016 38.487 0.149 0.000 1.184 687 N HN 0.215 nan 8.380 nan 0.000 0.487 688 S N 0.337 116.102 115.700 0.109 0.000 2.548 688 S HA 0.520 4.990 4.470 -0.000 0.000 0.286 688 S C -0.922 173.669 174.600 -0.016 0.000 1.098 688 S CA -0.722 57.449 58.200 -0.048 0.000 0.930 688 S CB 1.610 64.821 63.200 0.017 0.000 1.070 688 S HN 0.302 nan 8.310 nan 0.000 0.480 689 L N 3.096 124.217 121.223 -0.170 0.000 2.356 689 L HA 0.641 4.981 4.340 -0.000 0.000 0.277 689 L C -1.354 175.438 176.870 -0.129 0.000 0.996 689 L CA -0.667 54.147 54.840 -0.043 0.000 0.822 689 L CB 1.626 43.735 42.059 0.084 0.000 1.256 689 L HN 0.430 nan 8.230 nan 0.000 0.413 690 V N 6.025 125.894 119.914 -0.075 0.000 2.394 690 V HA 0.387 4.507 4.120 -0.000 0.000 0.282 690 V C 0.240 176.288 176.094 -0.077 0.000 1.031 690 V CA -0.383 61.868 62.300 -0.081 0.000 0.881 690 V CB 1.768 33.562 31.823 -0.047 0.000 0.982 690 V HN 0.522 nan 8.190 nan 0.000 0.451 691 I N 4.155 124.685 120.570 -0.067 0.000 2.337 691 I HA 0.324 4.493 4.170 -0.000 0.000 0.285 691 I C -0.138 175.963 176.117 -0.028 0.000 1.041 691 I CA -0.066 61.205 61.300 -0.047 0.000 1.199 691 I CB 0.829 38.830 38.000 0.003 0.000 1.370 691 I HN 0.520 nan 8.210 nan 0.000 0.470 692 D N 6.535 126.918 120.400 -0.027 0.000 2.373 692 D HA 0.434 5.074 4.640 -0.000 0.000 0.227 692 D C -0.271 176.030 176.300 0.001 0.000 1.091 692 D CA -0.080 53.914 54.000 -0.009 0.000 0.840 692 D CB 1.904 42.699 40.800 -0.009 0.000 1.060 692 D HN 0.601 nan 8.370 nan 0.000 0.502 693 A N 5.315 128.142 122.820 0.012 0.000 3.248 693 A HA 0.323 4.643 4.320 -0.000 0.000 0.315 693 A C -1.668 175.926 177.584 0.017 0.000 0.974 693 A CA -0.855 51.192 52.037 0.016 0.000 0.939 693 A CB 0.694 19.704 19.000 0.018 0.000 1.061 693 A HN 0.326 nan 8.150 nan 0.000 0.481 694 P HA -0.133 nan 4.420 nan 0.000 0.221 694 P C 0.406 177.713 177.300 0.012 0.000 1.145 694 P CA 1.111 64.221 63.100 0.016 0.000 0.795 694 P CB 0.206 31.914 31.700 0.013 0.000 0.775 695 N N -0.412 118.291 118.700 0.006 0.000 2.276 695 N HA 0.021 4.761 4.740 -0.000 0.000 0.212 695 N C 0.380 175.886 175.510 -0.007 0.000 1.127 695 N CA -0.030 53.019 53.050 -0.001 0.000 0.834 695 N CB -0.671 37.813 38.487 -0.005 0.000 1.014 695 N HN 0.083 nan 8.380 nan 0.000 0.491 696 N N 1.210 119.907 118.700 -0.004 0.000 2.492 696 N HA 0.062 4.802 4.740 -0.000 0.000 0.260 696 N C -0.100 175.397 175.510 -0.022 0.000 1.215 696 N CA 0.401 53.442 53.050 -0.016 0.000 0.923 696 N CB 0.681 39.158 38.487 -0.017 0.000 1.092 696 N HN 0.207 nan 8.380 nan 0.000 0.448 697 S N 0.050 115.732 115.700 -0.029 0.000 2.703 697 S HA 0.286 4.756 4.470 -0.000 0.000 0.273 697 S C 0.784 175.372 174.600 -0.020 0.000 1.178 697 S CA -0.510 57.672 58.200 -0.029 0.000 0.838 697 S CB 0.332 63.520 63.200 -0.021 0.000 1.178 697 S HN 0.362 nan 8.310 nan 0.000 0.494 698 T N 1.262 115.804 114.554 -0.019 0.000 2.833 698 T HA -0.022 4.328 4.350 -0.000 0.000 0.269 698 T C 1.118 175.871 174.700 0.089 0.000 1.054 698 T CA 2.175 64.275 62.100 -0.000 0.000 1.135 698 T CB -0.455 68.401 68.868 -0.019 0.000 0.869 698 T HN 0.658 nan 8.240 nan 0.000 0.466 699 E N 0.931 121.162 120.200 0.052 0.000 2.216 699 E HA 0.107 4.457 4.350 -0.000 0.000 0.192 699 E C 0.460 176.990 176.600 -0.117 0.000 0.973 699 E CA 0.283 56.706 56.400 0.037 0.000 0.851 699 E CB 0.077 29.773 29.700 -0.008 0.000 0.804 699 E HN 0.253 nan 8.360 nan 0.000 0.477 700 N N 1.242 119.887 118.700 -0.091 0.000 3.188 700 N HA 0.083 4.823 4.740 -0.000 0.000 0.279 700 N C -0.475 174.950 175.510 -0.141 0.000 1.213 700 N CA -0.104 52.850 53.050 -0.160 0.000 1.138 700 N CB -0.097 38.345 38.487 -0.075 0.000 1.417 700 N HN 0.180 nan 8.380 nan 0.000 0.526 701 F N -1.766 118.076 119.950 -0.180 0.000 2.695 701 F HA 0.412 4.939 4.527 0.000 0.000 0.303 701 F C -0.166 175.469 175.800 -0.275 0.000 1.091 701 F CA -0.878 56.960 58.000 -0.269 0.000 1.300 701 F CB -0.370 38.405 39.000 -0.375 0.000 1.071 701 F HN -0.099 nan 8.300 nan 0.000 0.578 702 Y N 1.947 122.128 120.300 -0.198 0.000 2.301 702 Y HA 0.479 5.029 4.550 -0.000 0.000 0.325 702 Y C 0.434 176.327 175.900 -0.012 0.000 1.203 702 Y CA -1.608 56.459 58.100 -0.055 0.000 1.255 702 Y CB 0.789 39.165 38.460 -0.139 0.000 1.232 702 Y HN -0.125 nan 8.280 nan 0.000 0.501 703 I N 2.522 123.230 120.570 0.231 0.000 2.312 703 I HA 0.062 4.232 4.170 -0.000 0.000 0.291 703 I C 0.442 176.632 176.117 0.122 0.000 1.031 703 I CA 0.054 61.443 61.300 0.147 0.000 1.293 703 I CB 1.167 39.258 38.000 0.152 0.000 1.403 703 I HN 0.727 nan 8.210 nan 0.000 0.484 704 D N 3.880 124.322 120.400 0.070 0.000 2.183 704 D HA -0.052 4.587 4.640 -0.000 0.000 0.205 704 D C 0.560 176.885 176.300 0.041 0.000 0.962 704 D CA 0.808 54.827 54.000 0.032 0.000 0.849 704 D CB 0.529 41.330 40.800 0.001 0.000 0.978 704 D HN 0.584 nan 8.370 nan 0.000 0.488 705 S N -1.546 114.186 115.700 0.053 0.000 2.615 705 S HA 0.543 5.013 4.470 -0.000 0.000 0.269 705 S C -1.060 173.584 174.600 0.073 0.000 1.161 705 S CA -1.066 57.170 58.200 0.061 0.000 0.817 705 S CB 1.520 64.746 63.200 0.042 0.000 1.131 705 S HN 0.066 nan 8.310 nan 0.000 0.467 706 M N 2.214 121.870 119.600 0.092 0.000 2.421 706 M HA 0.571 5.051 4.480 -0.000 0.000 0.287 706 M C -1.520 174.853 176.300 0.122 0.000 1.183 706 M CA -0.237 55.123 55.300 0.099 0.000 0.916 706 M CB 2.316 34.998 32.600 0.136 0.000 1.701 706 M HN 1.139 nan 8.290 nan 0.000 0.470 707 S N 2.287 118.040 115.700 0.089 0.000 2.568 707 S HA 0.766 5.236 4.470 -0.000 0.000 0.293 707 S C -1.422 173.248 174.600 0.117 0.000 1.089 707 S CA -0.678 57.599 58.200 0.127 0.000 0.945 707 S CB 2.124 65.383 63.200 0.099 0.000 1.077 707 S HN 0.551 nan 8.310 nan 0.000 0.485 708 F N 2.823 122.778 119.950 0.008 0.000 2.445 708 F HA 0.477 5.004 4.527 -0.000 0.000 0.348 708 F C 0.144 175.944 175.800 -0.001 0.000 1.125 708 F CA -1.387 56.587 58.000 -0.042 0.000 0.983 708 F CB 0.309 39.246 39.000 -0.106 0.000 1.198 708 F HN 0.820 nan 8.300 nan 0.000 0.436 709 N N 4.147 123.076 118.700 0.383 0.000 2.705 709 N HA -0.217 4.523 4.740 -0.000 0.000 0.255 709 N C 1.161 176.744 175.510 0.121 0.000 1.008 709 N CA 1.403 54.578 53.050 0.208 0.000 0.742 709 N CB -1.040 37.552 38.487 0.175 0.000 0.906 709 N HN 1.203 nan 8.380 nan 0.000 0.541 710 G N -1.795 107.070 108.800 0.109 0.000 2.336 710 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.233 710 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.233 710 G C 0.237 175.184 174.900 0.079 0.000 1.053 710 G CA 0.686 45.832 45.100 0.076 0.000 0.625 710 G HN 1.247 nan 8.290 nan 0.000 0.511 711 A N 0.637 123.515 122.820 0.097 0.000 2.366 711 A HA 0.547 4.867 4.320 -0.000 0.000 0.272 711 A C 0.191 177.852 177.584 0.129 0.000 1.135 711 A CA 0.625 52.716 52.037 0.091 0.000 0.804 711 A CB 0.435 19.477 19.000 0.071 0.000 1.064 711 A HN 0.562 nan 8.150 nan 0.000 0.499 712 D N 1.111 121.569 120.400 0.096 0.000 2.493 712 D HA 0.003 4.643 4.640 -0.000 0.000 0.240 712 D C -0.204 176.179 176.300 0.139 0.000 1.142 712 D CA 1.049 55.111 54.000 0.104 0.000 0.872 712 D CB 0.136 40.973 40.800 0.060 0.000 1.173 712 D HN 0.519 nan 8.370 nan 0.000 0.467 713 H N 3.006 122.111 119.070 0.059 0.000 2.866 713 H HA 0.191 4.747 4.556 -0.000 0.000 0.287 713 H C 0.262 175.613 175.328 0.037 0.000 1.106 713 H CA -0.174 55.907 56.048 0.055 0.000 1.396 713 H CB 0.777 30.602 29.762 0.104 0.000 1.469 713 H HN 0.476 nan 8.280 nan 0.000 0.500 714 T N 0.915 115.361 114.554 -0.179 0.000 3.040 714 T HA 0.197 4.547 4.350 -0.000 0.000 0.250 714 T C 0.593 175.208 174.700 -0.142 0.000 1.058 714 T CA -0.329 61.721 62.100 -0.082 0.000 0.988 714 T CB 0.430 69.279 68.868 -0.033 0.000 0.993 714 T HN 0.338 nan 8.240 nan 0.000 0.519 715 K N 2.103 122.248 120.400 -0.424 0.000 2.355 715 K HA 0.219 4.539 4.320 -0.000 0.000 0.270 715 K C 0.267 176.823 176.600 -0.072 0.000 1.003 715 K CA -0.404 55.687 56.287 -0.327 0.000 0.957 715 K CB 0.329 32.417 32.500 -0.687 0.000 0.939 715 K HN 0.028 nan 8.250 nan 0.000 0.482 716 N N 1.810 120.556 118.700 0.077 0.000 2.362 716 N HA 0.014 4.754 4.740 -0.000 0.000 0.211 716 N C -1.067 174.618 175.510 0.292 0.000 1.170 716 N CA 0.307 53.465 53.050 0.179 0.000 0.828 716 N CB -0.219 38.350 38.487 0.136 0.000 1.034 716 N HN 0.448 nan 8.380 nan 0.000 0.475 717 Y N -2.510 117.890 120.300 0.167 0.000 2.624 717 Y HA 0.606 5.156 4.550 -0.000 0.000 0.334 717 Y C -1.644 174.407 175.900 0.251 0.000 1.155 717 Y CA -1.373 56.831 58.100 0.174 0.000 1.046 717 Y CB 0.685 39.200 38.460 0.093 0.000 1.316 717 Y HN -0.267 nan 8.280 nan 0.000 0.457 718 L N 2.932 124.317 121.223 0.272 0.000 2.341 718 L HA 0.718 5.058 4.340 -0.000 0.000 0.267 718 L C -0.460 176.612 176.870 0.336 0.000 1.009 718 L CA -1.140 53.810 54.840 0.183 0.000 0.819 718 L CB 2.281 44.300 42.059 -0.068 0.000 1.323 718 L HN 0.685 nan 8.230 nan 0.000 0.425 719 R N -0.278 120.392 120.500 0.283 0.000 2.460 719 R HA 0.252 4.592 4.340 -0.000 0.000 0.303 719 R C 0.396 176.820 176.300 0.207 0.000 0.968 719 R CA -0.821 55.432 56.100 0.255 0.000 0.889 719 R CB 1.616 32.041 30.300 0.208 0.000 1.123 719 R HN 0.542 nan 8.270 nan 0.000 0.455 720 H N 2.611 121.737 119.070 0.092 0.000 2.267 720 H HA -0.285 4.271 4.556 -0.000 0.000 0.291 720 H C 2.203 177.390 175.328 -0.235 0.000 1.094 720 H CA 3.180 59.207 56.048 -0.036 0.000 1.227 720 H CB 0.325 29.985 29.762 -0.170 0.000 1.351 720 H HN 0.854 nan 8.280 nan 0.000 0.483 721 E N 0.576 120.724 120.200 -0.088 0.000 2.150 721 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 721 E C 1.939 178.510 176.600 -0.047 0.000 0.985 721 E CA 1.355 57.696 56.400 -0.099 0.000 0.814 721 E CB -0.442 29.249 29.700 -0.015 0.000 0.752 721 E HN 0.686 nan 8.360 nan 0.000 0.466 722 D N 0.371 120.758 120.400 -0.021 0.000 2.117 722 D HA -0.062 4.578 4.640 -0.000 0.000 0.198 722 D C 2.178 178.558 176.300 0.133 0.000 0.982 722 D CA 0.898 54.885 54.000 -0.022 0.000 0.828 722 D CB -0.263 40.484 40.800 -0.089 0.000 0.967 722 D HN 0.421 nan 8.370 nan 0.000 0.464 723 L N 0.023 121.322 121.223 0.127 0.000 1.990 723 L HA -0.210 4.130 4.340 -0.000 0.000 0.213 723 L C 2.491 179.375 176.870 0.023 0.000 1.072 723 L CA 1.019 55.926 54.840 0.111 0.000 0.755 723 L CB -0.529 41.482 42.059 -0.081 0.000 0.889 723 L HN -0.023 nan 8.230 nan 0.000 0.432 724 F N 0.732 120.375 119.950 -0.512 0.000 2.250 724 F HA -0.206 4.321 4.527 -0.000 0.000 0.301 724 F C 2.467 178.148 175.800 -0.199 0.000 1.077 724 F CA 1.122 58.750 58.000 -0.619 0.000 1.348 724 F CB -0.689 37.995 39.000 -0.528 0.000 1.040 724 F HN 0.039 nan 8.300 nan 0.000 0.509 725 K N -0.330 120.127 120.400 0.095 0.000 2.148 725 K HA 0.132 4.452 4.320 -0.000 0.000 0.204 725 K C 1.244 177.924 176.600 0.134 0.000 1.050 725 K CA 0.723 57.061 56.287 0.086 0.000 0.942 725 K CB -0.475 32.051 32.500 0.043 0.000 0.724 725 K HN 0.392 nan 8.250 nan 0.000 0.446 726 G N -0.649 108.284 108.800 0.223 0.000 2.660 726 G HA2 0.146 4.106 3.960 -0.000 0.000 0.247 726 G HA3 0.146 4.106 3.960 -0.000 0.000 0.247 726 G C 0.153 175.191 174.900 0.229 0.000 1.328 726 G CA -0.472 44.777 45.100 0.248 0.000 0.884 726 G HN 0.649 nan 8.290 nan 0.000 0.531 727 G N -2.713 106.186 108.800 0.164 0.000 2.443 727 G HA2 0.514 4.474 3.960 -0.000 0.000 0.209 727 G HA3 0.514 4.474 3.960 -0.000 0.000 0.209 727 G C -0.170 174.789 174.900 0.098 0.000 1.176 727 G CA 0.591 45.777 45.100 0.143 0.000 1.074 727 G HN 2.361 nan 8.290 nan 0.000 0.577 728 T N 0.634 115.247 114.554 0.098 0.000 2.921 728 T HA 0.653 5.003 4.350 -0.000 0.000 0.297 728 T C -0.219 174.446 174.700 -0.058 0.000 1.013 728 T CA -0.298 61.810 62.100 0.013 0.000 0.990 728 T CB 1.618 70.501 68.868 0.026 0.000 1.023 728 T HN 0.646 nan 8.240 nan 0.000 0.447 729 I N 2.866 123.327 120.570 -0.182 0.000 2.354 729 I HA 0.406 4.576 4.170 -0.000 0.000 0.292 729 I C 0.111 176.158 176.117 -0.116 0.000 0.989 729 I CA -0.803 60.335 61.300 -0.270 0.000 1.188 729 I CB 1.499 39.222 38.000 -0.461 0.000 1.342 729 I HN 0.296 nan 8.210 nan 0.000 0.457 730 K N 5.676 126.039 120.400 -0.062 0.000 2.235 730 K HA 0.614 4.934 4.320 -0.000 0.000 0.266 730 K C -1.206 175.390 176.600 -0.006 0.000 0.980 730 K CA -0.650 55.626 56.287 -0.019 0.000 0.849 730 K CB 2.437 34.941 32.500 0.007 0.000 1.098 730 K HN 0.299 nan 8.250 nan 0.000 0.445 731 V N 2.361 122.277 119.914 0.003 0.000 2.407 731 V HA 0.092 4.212 4.120 -0.000 0.000 0.291 731 V C -0.593 175.516 176.094 0.025 0.000 1.018 731 V CA -0.937 61.376 62.300 0.023 0.000 0.842 731 V CB 1.423 33.263 31.823 0.029 0.000 0.996 731 V HN 0.673 nan 8.190 nan 0.000 0.426 732 D N 5.800 126.218 120.400 0.030 0.000 2.365 732 D HA 0.330 4.970 4.640 -0.000 0.000 0.237 732 D C 0.105 176.420 176.300 0.025 0.000 1.190 732 D CA -0.314 53.700 54.000 0.022 0.000 0.867 732 D CB 0.627 41.439 40.800 0.019 0.000 1.050 732 D HN 0.222 nan 8.370 nan 0.000 0.491 733 M N 1.812 121.421 119.600 0.015 0.000 2.228 733 M HA 0.327 4.807 4.480 -0.000 0.000 0.326 733 M C 0.327 176.624 176.300 -0.006 0.000 1.122 733 M CA -0.353 54.953 55.300 0.009 0.000 1.161 733 M CB 0.823 33.421 32.600 -0.004 0.000 1.437 733 M HN 0.344 nan 8.290 nan 0.000 0.465 734 S N 0.513 116.205 115.700 -0.014 0.000 2.547 734 S HA 0.422 4.892 4.470 -0.000 0.000 0.270 734 S C 0.186 174.751 174.600 -0.059 0.000 1.150 734 S CA -0.699 57.482 58.200 -0.031 0.000 0.850 734 S CB 0.984 64.170 63.200 -0.022 0.000 1.118 734 S HN 0.755 nan 8.310 nan 0.000 0.461 735 N N 1.912 120.562 118.700 -0.084 0.000 2.336 735 N HA 0.101 4.841 4.740 -0.000 0.000 0.189 735 N C -0.148 175.341 175.510 -0.034 0.000 1.113 735 N CA 0.073 53.048 53.050 -0.126 0.000 0.858 735 N CB -0.014 38.404 38.487 -0.115 0.000 0.970 735 N HN 0.332 nan 8.380 nan 0.000 0.471 736 R N 1.028 121.468 120.500 -0.100 0.000 2.589 736 R HA 0.505 4.845 4.340 -0.000 0.000 0.293 736 R C -2.684 173.214 176.300 -0.671 0.000 0.963 736 R CA -2.212 53.700 56.100 -0.313 0.000 0.905 736 R CB 0.717 30.871 30.300 -0.242 0.000 1.144 736 R HN 0.118 nan 8.270 nan 0.000 0.459 737 P HA 0.046 nan 4.420 nan 0.000 0.276 737 P C -0.494 176.434 177.300 -0.621 0.000 1.230 737 P CA -0.374 62.028 63.100 -1.164 0.000 0.776 737 P CB 0.570 31.558 31.700 -1.187 0.000 0.888 738 N N 3.235 121.706 118.700 -0.382 0.000 2.437 738 N HA 0.061 4.801 4.740 -0.000 0.000 0.243 738 N C 0.616 175.880 175.510 -0.409 0.000 1.041 738 N CA -0.235 52.642 53.050 -0.288 0.000 0.940 738 N CB -0.102 38.321 38.487 -0.106 0.000 1.133 738 N HN 0.126 nan 8.380 nan 0.000 0.506 739 L N 3.066 123.924 121.223 -0.608 0.000 2.552 739 L HA 0.134 4.474 4.340 -0.000 0.000 0.227 739 L C 1.287 177.955 176.870 -0.336 0.000 1.146 739 L CA 0.684 54.985 54.840 -0.899 0.000 0.858 739 L CB -0.531 41.060 42.059 -0.781 0.000 0.969 739 L HN 0.556 nan 8.230 nan 0.000 0.451 740 N N -0.907 117.704 118.700 -0.148 0.000 2.282 740 N HA 0.037 4.777 4.740 -0.000 0.000 0.185 740 N C 0.813 176.359 175.510 0.060 0.000 1.099 740 N CA 0.020 53.059 53.050 -0.018 0.000 0.878 740 N CB 0.741 39.204 38.487 -0.040 0.000 0.993 740 N HN 0.238 nan 8.380 nan 0.000 0.481 741 R N 0.717 121.271 120.500 0.089 0.000 2.297 741 R HA 0.340 4.680 4.340 -0.000 0.000 0.308 741 R C 0.321 176.736 176.300 0.192 0.000 1.029 741 R CA 0.371 56.543 56.100 0.120 0.000 0.929 741 R CB 0.419 30.781 30.300 0.103 0.000 1.046 741 R HN 0.184 nan 8.270 nan 0.000 0.461 742 G N 2.807 111.689 108.800 0.136 0.000 2.225 742 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.264 742 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.264 742 G C 0.442 175.427 174.900 0.143 0.000 1.060 742 G CA 0.709 45.886 45.100 0.130 0.000 0.833 742 G HN 0.766 nan 8.290 nan 0.000 0.498 743 T N -3.486 111.153 114.554 0.141 0.000 2.985 743 T HA 0.398 4.748 4.350 -0.000 0.000 0.254 743 T C 0.980 175.735 174.700 0.093 0.000 1.021 743 T CA 0.518 62.702 62.100 0.141 0.000 0.957 743 T CB 0.668 69.648 68.868 0.186 0.000 1.047 743 T HN 0.436 nan 8.240 nan 0.000 0.511 744 K N 1.912 122.355 120.400 0.073 0.000 2.202 744 K HA 0.239 4.559 4.320 -0.000 0.000 0.264 744 K C 1.378 178.008 176.600 0.050 0.000 1.010 744 K CA -0.430 55.889 56.287 0.053 0.000 0.940 744 K CB 0.789 33.314 32.500 0.041 0.000 0.983 744 K HN -0.057 nan 8.250 nan 0.000 0.475 745 E N 2.561 122.786 120.200 0.041 0.000 2.085 745 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 745 E C 1.210 177.839 176.600 0.048 0.000 0.994 745 E CA 1.590 58.011 56.400 0.036 0.000 0.801 745 E CB 0.225 29.940 29.700 0.026 0.000 0.743 745 E HN 0.716 nan 8.360 nan 0.000 0.453 746 E N 0.130 120.360 120.200 0.051 0.000 2.478 746 E HA -0.149 4.201 4.350 -0.000 0.000 0.198 746 E C 0.701 177.360 176.600 0.097 0.000 1.046 746 E CA 0.697 57.140 56.400 0.071 0.000 0.870 746 E CB -0.069 29.662 29.700 0.051 0.000 0.818 746 E HN 0.181 nan 8.360 nan 0.000 0.527 747 D N 0.436 120.882 120.400 0.076 0.000 2.323 747 D HA 0.027 4.667 4.640 -0.000 0.000 0.209 747 D C 0.596 176.993 176.300 0.163 0.000 0.973 747 D CA 0.378 54.426 54.000 0.080 0.000 0.874 747 D CB 0.090 40.919 40.800 0.049 0.000 0.930 747 D HN 0.180 nan 8.370 nan 0.000 0.521 748 M N 1.635 121.304 119.600 0.116 0.000 2.238 748 M HA 0.220 4.700 4.480 -0.000 0.000 0.347 748 M C -2.062 174.217 176.300 -0.035 0.000 1.173 748 M CA -2.006 53.308 55.300 0.024 0.000 1.147 748 M CB 0.135 32.733 32.600 -0.004 0.000 1.547 748 M HN -0.229 nan 8.290 nan 0.000 0.455 749 P HA 0.124 nan 4.420 nan 0.000 0.279 749 P C -0.846 176.341 177.300 -0.188 0.000 1.282 749 P CA -0.504 62.298 63.100 -0.497 0.000 0.788 749 P CB 0.251 31.621 31.700 -0.550 0.000 1.139 750 Y N 0.307 120.488 120.300 -0.199 0.000 2.717 750 Y HA 0.154 4.704 4.550 -0.000 0.000 0.330 750 Y C -0.270 175.716 175.900 0.145 0.000 1.217 750 Y CA 1.223 59.323 58.100 -0.001 0.000 1.506 750 Y CB 0.038 38.511 38.460 0.023 0.000 1.268 750 Y HN 0.150 nan 8.280 nan 0.000 0.561 751 S N 7.545 122.901 115.700 -0.573 0.000 2.557 751 S HA 0.155 4.625 4.470 -0.000 0.000 0.291 751 S C 0.151 174.315 174.600 -0.727 0.000 1.116 751 S CA -0.817 57.082 58.200 -0.501 0.000 0.992 751 S CB 0.906 63.976 63.200 -0.217 0.000 1.028 751 S HN 0.766 nan 8.310 nan 0.000 0.484 752 F N 3.507 123.136 119.950 -0.535 0.000 2.154 752 F HA -0.148 4.379 4.527 -0.000 0.000 0.301 752 F C 2.247 178.011 175.800 -0.059 0.000 1.087 752 F CA 1.842 59.792 58.000 -0.082 0.000 1.274 752 F CB -0.613 38.552 39.000 0.275 0.000 1.009 752 F HN 0.565 nan 8.300 nan 0.000 0.485 753 S N -0.110 115.462 115.700 -0.213 0.000 2.419 753 S HA -0.191 4.279 4.470 -0.000 0.000 0.235 753 S C 1.854 176.314 174.600 -0.234 0.000 1.019 753 S CA 1.320 59.362 58.200 -0.264 0.000 0.982 753 S CB -0.293 62.817 63.200 -0.150 0.000 0.789 753 S HN 0.444 nan 8.310 nan 0.000 0.490 754 K N 0.655 120.928 120.400 -0.211 0.000 2.400 754 K HA 0.151 4.471 4.320 -0.000 0.000 0.194 754 K C 1.019 177.557 176.600 -0.104 0.000 1.033 754 K CA 0.053 56.253 56.287 -0.146 0.000 1.021 754 K CB 0.230 32.651 32.500 -0.131 0.000 0.808 754 K HN 0.431 nan 8.250 nan 0.000 0.505 755 E N 0.000 120.135 120.200 -0.109 0.000 2.725 755 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 755 E CA 0.000 56.432 56.400 0.053 0.000 0.976 755 E CB 0.000 29.878 29.700 0.298 0.000 0.812 755 E HN 0.000 nan 8.360 nan 0.000 0.440