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_D 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 YSFSKELE 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 0.000 176.350 176.600 -0.416 0.000 0.988 20 K CA 0.000 56.090 56.287 -0.329 0.000 0.838 20 K CB 0.000 32.284 32.500 -0.360 0.000 1.064 21 D N 0.353 120.412 120.400 -0.569 0.000 2.308 21 D HA 0.689 5.330 4.640 0.001 0.000 0.242 21 D C 0.005 175.911 176.300 -0.658 0.000 1.059 21 D CA -0.256 53.468 54.000 -0.461 0.000 0.830 21 D CB 0.879 41.482 40.800 -0.327 0.000 1.161 21 D HN 0.559 nan 8.370 nan 0.000 0.494 22 W N 1.450 122.629 121.300 -0.202 0.000 3.058 22 W HA 0.090 4.751 4.660 0.001 0.000 0.306 22 W C 2.335 178.726 176.519 -0.214 0.000 1.188 22 W CA 0.234 57.395 57.345 -0.306 0.000 1.651 22 W CB 0.085 29.246 29.460 -0.498 0.000 1.051 22 W HN 0.501 nan 8.180 nan 0.000 0.592 23 T N -0.699 113.883 114.554 0.045 0.000 2.881 23 T HA -0.316 4.034 4.350 0.001 0.000 0.270 23 T C 1.714 176.388 174.700 -0.043 0.000 1.068 23 T CA 1.647 63.777 62.100 0.051 0.000 1.131 23 T CB -0.561 68.408 68.868 0.169 0.000 0.871 23 T HN 0.451 nan 8.240 nan 0.000 0.479 24 Q N 0.290 119.976 119.800 -0.189 0.000 2.173 24 Q HA -0.241 4.099 4.340 0.001 0.000 0.208 24 Q C 1.641 177.506 176.000 -0.225 0.000 0.989 24 Q CA 1.861 57.489 55.803 -0.292 0.000 0.872 24 Q CB -0.943 27.482 28.738 -0.522 0.000 0.909 24 Q HN 0.652 nan 8.270 nan 0.000 0.420 25 Y N 0.666 120.994 120.300 0.047 0.000 2.544 25 Y HA 0.203 4.753 4.550 0.001 0.000 0.286 25 Y C 0.692 176.667 175.900 0.125 0.000 1.141 25 Y CA -0.407 57.780 58.100 0.144 0.000 1.299 25 Y CB 0.413 39.049 38.460 0.293 0.000 1.030 25 Y HN -0.097 nan 8.280 nan 0.000 0.543 26 V N 2.297 122.294 119.914 0.138 0.000 2.455 26 V HA 0.045 4.165 4.120 0.001 0.000 0.273 26 V C -0.081 175.940 176.094 -0.121 0.000 1.045 26 V CA -0.516 61.772 62.300 -0.020 0.000 0.976 26 V CB 0.569 32.243 31.823 -0.247 0.000 0.993 26 V HN 0.229 nan 8.190 nan 0.000 0.475 27 N N 7.312 125.971 118.700 -0.068 0.000 2.546 27 N HA 0.402 5.143 4.740 0.001 0.000 0.238 27 N C -1.935 173.526 175.510 -0.082 0.000 0.984 27 N CA -2.198 50.813 53.050 -0.063 0.000 0.935 27 N CB 2.024 40.516 38.487 0.009 0.000 1.122 27 N HN 0.207 nan 8.380 nan 0.000 0.510 28 P HA 0.033 nan 4.420 nan 0.000 0.230 28 P C 0.599 177.927 177.300 0.047 0.000 1.158 28 P CA 0.845 63.886 63.100 -0.098 0.000 0.769 28 P CB 0.292 31.876 31.700 -0.193 0.000 0.807 29 L N -2.472 118.792 121.223 0.068 0.000 2.607 29 L HA 0.246 4.586 4.340 0.001 0.000 0.228 29 L C 1.246 178.193 176.870 0.128 0.000 1.123 29 L CA -0.248 54.678 54.840 0.143 0.000 0.890 29 L CB -0.466 41.732 42.059 0.232 0.000 1.103 29 L HN 0.022 nan 8.230 nan 0.000 0.468 30 M N 1.405 121.066 119.600 0.102 0.000 2.356 30 M HA 0.172 4.652 4.480 0.001 0.000 0.348 30 M C 1.040 177.482 176.300 0.237 0.000 1.595 30 M CA 1.227 56.587 55.300 0.100 0.000 1.095 30 M CB 0.077 32.712 32.600 0.057 0.000 1.963 30 M HN 0.312 nan 8.290 nan 0.000 0.459 31 G N 2.043 110.980 108.800 0.229 0.000 2.179 31 G HA2 -0.270 3.690 3.960 0.001 0.000 0.220 31 G HA3 -0.270 3.690 3.960 0.001 0.000 0.220 31 G C 0.603 175.643 174.900 0.234 0.000 0.990 31 G CA 0.486 45.765 45.100 0.299 0.000 0.646 31 G HN 0.871 nan 8.290 nan 0.000 0.517 32 S N -0.805 115.045 115.700 0.250 0.000 2.527 32 S HA 0.181 4.652 4.470 0.001 0.000 0.222 32 S C 1.199 175.997 174.600 0.331 0.000 0.985 32 S CA 1.194 59.610 58.200 0.360 0.000 0.921 32 S CB 0.192 63.724 63.200 0.553 0.000 0.772 32 S HN 0.538 nan 8.310 nan 0.000 0.529 33 Q N 1.810 121.741 119.800 0.217 0.000 3.122 33 Q HA 0.388 4.729 4.340 0.001 0.000 0.360 33 Q C -0.993 175.100 176.000 0.154 0.000 1.300 33 Q CA -0.303 55.607 55.803 0.177 0.000 0.982 33 Q CB -0.053 28.717 28.738 0.055 0.000 1.534 33 Q HN 0.381 nan 8.270 nan 0.000 0.474 34 S N -0.197 115.625 115.700 0.204 0.000 2.566 34 S HA 0.661 5.132 4.470 0.001 0.000 0.298 34 S C -0.384 174.309 174.600 0.156 0.000 1.083 34 S CA -0.655 57.665 58.200 0.200 0.000 0.978 34 S CB 1.878 65.240 63.200 0.270 0.000 1.073 34 S HN 0.542 nan 8.310 nan 0.000 0.491 35 T N -1.228 113.371 114.554 0.076 0.000 2.887 35 T HA 0.527 4.877 4.350 0.001 0.000 0.292 35 T C 0.645 175.297 174.700 -0.081 0.000 1.087 35 T CA -0.763 61.273 62.100 -0.107 0.000 1.009 35 T CB 0.571 69.395 68.868 -0.073 0.000 1.203 35 T HN 0.354 nan 8.240 nan 0.000 0.518 36 F N 1.545 121.218 119.950 -0.461 0.000 2.120 36 F HA -0.085 4.442 4.527 0.001 0.000 0.300 36 F C 2.076 177.905 175.800 0.048 0.000 1.095 36 F CA 1.946 59.806 58.000 -0.234 0.000 1.249 36 F CB -0.263 38.514 39.000 -0.372 0.000 0.995 36 F HN 0.698 nan 8.300 nan 0.000 0.480 37 E N 0.008 120.275 120.200 0.111 0.000 2.152 37 E HA 0.045 4.395 4.350 0.001 0.000 0.192 37 E C -0.236 176.391 176.600 0.045 0.000 0.983 37 E CA 0.886 57.331 56.400 0.075 0.000 0.818 37 E CB 0.052 29.815 29.700 0.106 0.000 0.758 37 E HN 0.313 nan 8.360 nan 0.000 0.467 38 L N -0.351 120.901 121.223 0.048 0.000 2.596 38 L HA 0.350 4.690 4.340 0.001 0.000 0.265 38 L C -1.054 175.865 176.870 0.082 0.000 0.962 38 L CA -0.351 54.530 54.840 0.068 0.000 0.891 38 L CB 2.040 44.126 42.059 0.045 0.000 1.248 38 L HN -0.187 nan 8.230 nan 0.000 0.410 39 S N 1.557 117.325 115.700 0.114 0.000 2.537 39 S HA 0.522 4.993 4.470 0.001 0.000 0.275 39 S C 0.756 175.431 174.600 0.124 0.000 1.272 39 S CA 0.269 58.545 58.200 0.127 0.000 1.050 39 S CB 0.723 64.010 63.200 0.144 0.000 0.961 39 S HN 0.768 nan 8.310 nan 0.000 0.496 40 T N 1.160 115.795 114.554 0.135 0.000 3.266 40 T HA 0.569 4.920 4.350 0.001 0.000 0.278 40 T C 0.999 175.837 174.700 0.230 0.000 1.010 40 T CA 0.198 62.386 62.100 0.145 0.000 0.909 40 T CB 0.083 69.014 68.868 0.105 0.000 1.122 40 T HN 1.055 nan 8.240 nan 0.000 0.536 41 G N 1.568 110.466 108.800 0.163 0.000 3.514 41 G HA2 -0.149 3.812 3.960 0.001 0.000 0.197 41 G HA3 -0.149 3.812 3.960 0.001 0.000 0.197 41 G C 0.198 175.101 174.900 0.004 0.000 1.098 41 G CA -0.202 44.926 45.100 0.048 0.000 0.884 41 G HN 0.399 nan 8.290 nan 0.000 0.433 42 N N 1.576 120.331 118.700 0.092 0.000 2.725 42 N HA -0.148 4.593 4.740 0.001 0.000 0.251 42 N C 0.432 175.936 175.510 -0.010 0.000 1.031 42 N CA 1.941 55.017 53.050 0.043 0.000 0.720 42 N CB -1.533 36.949 38.487 -0.009 0.000 0.930 42 N HN 1.367 nan 8.380 nan 0.000 0.543 43 T N -2.566 112.022 114.554 0.057 0.000 2.937 43 T HA 0.766 5.116 4.350 0.001 0.000 0.283 43 T C 0.028 174.811 174.700 0.138 0.000 1.012 43 T CA -0.719 61.386 62.100 0.008 0.000 0.997 43 T CB 1.998 70.866 68.868 0.000 0.000 1.136 43 T HN 0.240 nan 8.240 nan 0.000 0.551 44 Y N -2.367 117.992 120.300 0.099 0.000 2.633 44 Y HA 0.766 5.316 4.550 0.001 0.000 0.339 44 Y C -3.112 172.781 175.900 -0.012 0.000 1.045 44 Y CA -3.574 54.566 58.100 0.068 0.000 1.098 44 Y CB 0.299 38.796 38.460 0.060 0.000 1.296 44 Y HN 0.366 nan 8.280 nan 0.000 0.494 45 P HA 0.264 nan 4.420 nan 0.000 0.277 45 P C -0.806 176.522 177.300 0.047 0.000 1.354 45 P CA 0.009 63.072 63.100 -0.063 0.000 0.891 45 P CB 0.442 31.984 31.700 -0.263 0.000 1.058 46 A N 6.037 128.863 122.820 0.011 0.000 2.527 46 A HA 0.309 4.630 4.320 0.001 0.000 0.313 46 A C 0.281 177.818 177.584 -0.079 0.000 1.410 46 A CA -0.423 51.574 52.037 -0.067 0.000 1.060 46 A CB -0.632 18.115 19.000 -0.422 0.000 1.137 46 A HN 0.368 nan 8.150 nan 0.000 0.542 47 I N 2.183 122.741 120.570 -0.020 0.000 2.308 47 I HA 0.544 4.715 4.170 0.001 0.000 0.293 47 I C 0.564 176.730 176.117 0.082 0.000 1.078 47 I CA 0.210 61.514 61.300 0.007 0.000 1.292 47 I CB -0.529 37.469 38.000 -0.004 0.000 1.423 47 I HN 0.654 nan 8.210 nan 0.000 0.493 48 A N 7.144 130.033 122.820 0.115 0.000 2.566 48 A HA 0.733 5.053 4.320 0.001 0.000 0.290 48 A C -0.498 177.312 177.584 0.376 0.000 1.071 48 A CA -0.875 51.264 52.037 0.171 0.000 0.658 48 A CB 1.653 20.503 19.000 -0.250 0.000 1.285 48 A HN 0.449 nan 8.150 nan 0.000 0.427 49 R N -0.105 120.564 120.500 0.282 0.000 2.543 49 R HA 0.492 4.832 4.340 0.001 0.000 0.268 49 R C -2.667 173.593 176.300 -0.067 0.000 1.067 49 R CA -2.136 54.034 56.100 0.116 0.000 1.142 49 R CB -0.368 29.974 30.300 0.069 0.000 1.110 49 R HN 0.414 nan 8.270 nan 0.000 0.549 50 P HA -0.102 nan 4.420 nan 0.000 0.261 50 P C -0.271 176.931 177.300 -0.165 0.000 1.183 50 P CA 0.404 62.975 63.100 -0.882 0.000 0.761 50 P CB 0.171 31.131 31.700 -1.234 0.000 0.785 51 W N 0.492 121.833 121.300 0.069 0.000 4.973 51 W HA -0.160 4.500 4.660 0.001 0.000 0.350 51 W C 0.685 177.349 176.519 0.241 0.000 1.280 51 W CA 0.773 58.239 57.345 0.201 0.000 0.854 51 W CB -2.420 27.180 29.460 0.234 0.000 2.367 51 W HN 0.479 nan 8.180 nan 0.000 1.511 52 G N 0.883 109.978 108.800 0.492 0.000 2.414 52 G HA2 0.181 4.142 3.960 0.001 0.000 0.236 52 G HA3 0.181 4.142 3.960 0.001 0.000 0.236 52 G C 0.832 175.912 174.900 0.299 0.000 1.293 52 G CA 0.296 45.651 45.100 0.425 0.000 0.869 52 G HN 0.296 nan 8.290 nan 0.000 0.556 53 M N 1.874 121.584 119.600 0.184 0.000 2.132 53 M HA -0.018 4.462 4.480 0.001 0.000 0.263 53 M C 0.212 176.643 176.300 0.218 0.000 1.065 53 M CA 1.107 56.503 55.300 0.160 0.000 1.122 53 M CB 0.029 32.694 32.600 0.107 0.000 1.365 53 M HN 0.403 nan 8.290 nan 0.000 0.411 54 N N 0.507 119.333 118.700 0.209 0.000 2.443 54 N HA 0.255 4.995 4.740 0.001 0.000 0.269 54 N C -1.573 174.048 175.510 0.185 0.000 0.985 54 N CA -0.276 52.817 53.050 0.071 0.000 0.921 54 N CB 1.057 39.612 38.487 0.115 0.000 1.195 54 N HN 0.020 nan 8.380 nan 0.000 0.492 55 F N 0.845 120.633 119.950 -0.271 0.000 2.379 55 F HA 0.438 4.965 4.527 0.001 0.000 0.332 55 F C 0.253 175.812 175.800 -0.402 0.000 1.096 55 F CA -1.197 56.712 58.000 -0.152 0.000 1.105 55 F CB 0.533 39.509 39.000 -0.040 0.000 1.189 55 F HN 0.292 nan 8.300 nan 0.000 0.515 56 W N 0.453 121.808 121.300 0.092 0.000 2.761 56 W HA 0.579 5.240 4.660 0.001 0.000 0.340 56 W C -0.255 176.224 176.519 -0.067 0.000 1.072 56 W CA -0.567 56.760 57.345 -0.029 0.000 1.215 56 W CB 2.145 31.573 29.460 -0.054 0.000 1.420 56 W HN 0.399 nan 8.180 nan 0.000 0.519 57 T N 3.716 118.331 114.554 0.103 0.000 2.982 57 T HA 0.404 4.754 4.350 0.001 0.000 0.321 57 T C -2.876 171.753 174.700 -0.118 0.000 1.229 57 T CA -1.905 60.149 62.100 -0.077 0.000 1.044 57 T CB 1.342 70.153 68.868 -0.095 0.000 1.184 57 T HN 0.085 nan 8.240 nan 0.000 0.477 58 P HA 0.115 nan 4.420 nan 0.000 0.266 58 P C -1.051 176.171 177.300 -0.129 0.000 1.195 58 P CA -0.061 62.841 63.100 -0.329 0.000 0.768 58 P CB 0.484 31.970 31.700 -0.358 0.000 0.838 59 Q N 1.476 121.143 119.800 -0.223 0.000 2.368 59 Q HA 0.236 4.576 4.340 0.001 0.000 0.263 59 Q C 0.850 176.763 176.000 -0.146 0.000 1.009 59 Q CA -0.327 55.404 55.803 -0.119 0.000 0.818 59 Q CB 0.914 29.586 28.738 -0.110 0.000 1.239 59 Q HN 0.520 nan 8.270 nan 0.000 0.464 60 T N -0.261 114.241 114.554 -0.087 0.000 3.010 60 T HA 0.198 4.549 4.350 0.001 0.000 0.252 60 T C 0.939 175.579 174.700 -0.099 0.000 1.047 60 T CA 0.443 62.461 62.100 -0.137 0.000 1.140 60 T CB 0.093 68.841 68.868 -0.200 0.000 0.885 60 T HN 0.505 nan 8.240 nan 0.000 0.464 61 G N 1.397 110.168 108.800 -0.049 0.000 2.606 61 G HA2 0.447 4.407 3.960 0.001 0.000 0.252 61 G HA3 0.447 4.407 3.960 0.001 0.000 0.252 61 G C -0.610 174.257 174.900 -0.056 0.000 1.206 61 G CA -0.811 44.271 45.100 -0.030 0.000 0.861 61 G HN 0.478 nan 8.290 nan 0.000 0.561 62 K N 0.258 120.621 120.400 -0.061 0.000 2.202 62 K HA 0.156 4.476 4.320 0.001 0.000 0.264 62 K C 0.785 177.323 176.600 -0.103 0.000 1.010 62 K CA -0.400 55.831 56.287 -0.094 0.000 0.940 62 K CB 1.040 33.487 32.500 -0.088 0.000 0.983 62 K HN 0.541 nan 8.250 nan 0.000 0.475 63 M N 1.705 121.186 119.600 -0.199 0.000 2.286 63 M HA -0.121 4.360 4.480 0.001 0.000 0.365 63 M C 0.735 176.952 176.300 -0.137 0.000 1.443 63 M CA 2.003 57.123 55.300 -0.299 0.000 0.951 63 M CB -0.345 31.869 32.600 -0.643 0.000 1.961 63 M HN 0.985 nan 8.290 nan 0.000 0.468 64 G N 3.118 111.904 108.800 -0.024 0.000 2.258 64 G HA2 -0.233 3.728 3.960 0.001 0.000 0.233 64 G HA3 -0.233 3.728 3.960 0.001 0.000 0.233 64 G C -0.132 174.785 174.900 0.029 0.000 1.006 64 G CA 0.170 45.280 45.100 0.017 0.000 0.620 64 G HN 0.774 nan 8.290 nan 0.000 0.511 65 D N 1.393 121.809 120.400 0.027 0.000 2.348 65 D HA 0.457 5.097 4.640 0.001 0.000 0.253 65 D C 1.738 178.077 176.300 0.064 0.000 1.161 65 D CA 0.720 54.765 54.000 0.076 0.000 0.876 65 D CB 0.804 41.653 40.800 0.083 0.000 1.160 65 D HN 0.235 nan 8.370 nan 0.000 0.459 66 G N 3.819 112.652 108.800 0.055 0.000 2.475 66 G HA2 -0.235 3.725 3.960 0.001 0.000 0.220 66 G HA3 -0.235 3.725 3.960 0.001 0.000 0.220 66 G C 0.720 175.417 174.900 -0.338 0.000 1.125 66 G CA 0.005 44.965 45.100 -0.234 0.000 0.755 66 G HN 0.601 nan 8.290 nan 0.000 0.565 67 W N 2.315 123.554 121.300 -0.102 0.000 1.864 67 W HA 0.223 4.884 4.660 0.001 0.000 0.425 67 W C 1.527 178.032 176.519 -0.024 0.000 0.791 67 W CA -0.361 56.952 57.345 -0.054 0.000 1.650 67 W CB -0.146 29.275 29.460 -0.064 0.000 1.791 67 W HN 0.551 nan 8.180 nan 0.000 0.266 68 Q N 0.977 120.817 119.800 0.067 0.000 2.230 68 Q HA -0.166 4.174 4.340 0.001 0.000 0.202 68 Q C -0.003 176.069 176.000 0.119 0.000 0.963 68 Q CA 1.159 56.982 55.803 0.033 0.000 0.866 68 Q CB 0.068 28.748 28.738 -0.098 0.000 0.931 68 Q HN 0.396 nan 8.270 nan 0.000 0.452 69 Y N 1.519 121.857 120.300 0.064 0.000 2.346 69 Y HA 0.370 4.921 4.550 0.001 0.000 0.332 69 Y C -1.289 174.736 175.900 0.209 0.000 0.985 69 Y CA -0.669 57.501 58.100 0.117 0.000 1.112 69 Y CB 2.046 40.579 38.460 0.122 0.000 1.170 69 Y HN 0.092 nan 8.280 nan 0.000 0.447 70 T N 2.005 116.490 114.554 -0.115 0.000 2.861 70 T HA 0.180 4.530 4.350 0.001 0.000 0.287 70 T C 0.243 174.890 174.700 -0.088 0.000 1.003 70 T CA -0.570 61.560 62.100 0.049 0.000 0.977 70 T CB 1.194 70.115 68.868 0.089 0.000 0.996 70 T HN 0.766 nan 8.240 nan 0.000 0.448 71 Y N 3.057 123.398 120.300 0.068 0.000 2.207 71 Y HA -0.165 4.386 4.550 0.001 0.000 0.287 71 Y C 2.688 178.688 175.900 0.168 0.000 1.156 71 Y CA 2.472 60.659 58.100 0.144 0.000 1.182 71 Y CB -0.220 38.293 38.460 0.088 0.000 0.979 71 Y HN 0.876 nan 8.280 nan 0.000 0.521 72 T N -1.573 113.063 114.554 0.136 0.000 3.113 72 T HA 0.315 4.665 4.350 0.001 0.000 0.256 72 T C 0.786 175.428 174.700 -0.097 0.000 1.131 72 T CA 0.159 62.282 62.100 0.038 0.000 1.074 72 T CB -0.616 68.291 68.868 0.065 0.000 0.944 72 T HN 0.355 nan 8.240 nan 0.000 0.516 73 A N 1.906 124.644 122.820 -0.137 0.000 2.425 73 A HA 0.410 4.731 4.320 0.001 0.000 0.249 73 A C 1.150 178.542 177.584 -0.320 0.000 1.084 73 A CA -0.612 51.304 52.037 -0.201 0.000 0.781 73 A CB 0.196 19.092 19.000 -0.173 0.000 1.019 73 A HN 0.329 nan 8.150 nan 0.000 0.490 74 N N 0.616 119.037 118.700 -0.465 0.000 2.415 74 N HA 0.030 4.771 4.740 0.001 0.000 0.176 74 N C -0.196 174.944 175.510 -0.615 0.000 1.042 74 N CA 0.966 53.511 53.050 -0.841 0.000 0.902 74 N CB 0.181 37.760 38.487 -1.513 0.000 0.986 74 N HN 0.626 nan 8.380 nan 0.000 0.447 75 K N 0.460 120.695 120.400 -0.275 0.000 2.422 75 K HA 0.481 4.801 4.320 0.001 0.000 0.251 75 K C -0.761 175.803 176.600 -0.060 0.000 0.933 75 K CA -0.523 55.687 56.287 -0.128 0.000 0.798 75 K CB 2.638 34.965 32.500 -0.288 0.000 1.238 75 K HN -0.153 nan 8.250 nan 0.000 0.428 76 I N 3.311 123.808 120.570 -0.122 0.000 2.392 76 I HA 0.268 4.438 4.170 0.001 0.000 0.295 76 I C 1.408 177.396 176.117 -0.215 0.000 0.985 76 I CA -0.312 60.807 61.300 -0.301 0.000 1.221 76 I CB 1.112 38.797 38.000 -0.525 0.000 1.366 76 I HN 0.655 nan 8.210 nan 0.000 0.467 77 R N 4.093 124.457 120.500 -0.227 0.000 2.476 77 R HA 0.478 4.819 4.340 0.001 0.000 0.276 77 R C 0.128 176.334 176.300 -0.157 0.000 0.941 77 R CA -0.099 55.907 56.100 -0.156 0.000 1.088 77 R CB 0.992 31.208 30.300 -0.140 0.000 1.216 77 R HN 0.740 nan 8.270 nan 0.000 0.533 78 G N 0.635 109.277 108.800 -0.263 0.000 2.387 78 G HA2 0.428 4.389 3.960 0.001 0.000 0.294 78 G HA3 0.428 4.389 3.960 0.001 0.000 0.294 78 G C -1.960 172.701 174.900 -0.397 0.000 1.509 78 G CA -0.865 44.129 45.100 -0.178 0.000 0.806 78 G HN 0.033 nan 8.290 nan 0.000 0.546 79 F N 0.992 121.002 119.950 0.101 0.000 2.403 79 F HA 0.595 5.122 4.527 0.001 0.000 0.355 79 F C 0.505 176.460 175.800 0.259 0.000 1.119 79 F CA -0.679 57.446 58.000 0.208 0.000 1.007 79 F CB 2.422 41.658 39.000 0.393 0.000 1.194 79 F HN 0.287 nan 8.300 nan 0.000 0.443 80 K N 3.343 123.879 120.400 0.227 0.000 2.244 80 K HA 0.299 4.619 4.320 0.001 0.000 0.260 80 K C -0.616 175.624 176.600 -0.600 0.000 0.951 80 K CA -0.697 55.492 56.287 -0.162 0.000 0.826 80 K CB 1.441 33.817 32.500 -0.207 0.000 1.108 80 K HN 0.702 nan 8.250 nan 0.000 0.433 81 Q N 2.426 121.332 119.800 -1.490 0.000 2.304 81 Q HA 0.114 4.454 4.340 0.001 0.000 0.260 81 Q C -1.091 174.252 176.000 -1.095 0.000 0.965 81 Q CA 0.306 54.953 55.803 -1.927 0.000 0.898 81 Q CB 1.246 28.701 28.738 -2.138 0.000 1.196 81 Q HN 0.627 nan 8.270 nan 0.000 0.402 82 T N 2.228 116.212 114.554 -0.951 0.000 2.883 82 T HA 0.398 4.748 4.350 0.001 0.000 0.301 82 T C -0.981 173.223 174.700 -0.826 0.000 1.158 82 T CA -0.477 61.202 62.100 -0.702 0.000 1.007 82 T CB 0.997 69.543 68.868 -0.536 0.000 1.186 82 T HN 0.807 nan 8.240 nan 0.000 0.499 83 H N 0.480 119.349 119.070 -0.335 0.000 3.230 83 H HA 0.351 4.907 4.556 0.001 0.000 0.259 83 H C 0.466 175.758 175.328 -0.059 0.000 1.195 83 H CA -0.385 55.460 56.048 -0.339 0.000 1.112 83 H CB 0.675 29.972 29.762 -0.774 0.000 1.638 83 H HN 0.437 nan 8.280 nan 0.000 0.624 84 Q N 3.596 123.460 119.800 0.107 0.000 2.289 84 Q HA 0.046 4.386 4.340 0.001 0.000 0.273 84 Q C -1.689 174.560 176.000 0.415 0.000 1.029 84 Q CA -1.569 54.355 55.803 0.202 0.000 0.896 84 Q CB 1.100 29.871 28.738 0.056 0.000 1.182 84 Q HN 0.187 nan 8.270 nan 0.000 0.385 85 P HA 0.032 nan 4.420 nan 0.000 0.234 85 P C -0.557 176.725 177.300 -0.029 0.000 1.175 85 P CA 0.443 63.554 63.100 0.018 0.000 0.801 85 P CB 0.549 32.324 31.700 0.126 0.000 0.891 86 S N -2.026 113.696 115.700 0.038 0.000 2.567 86 S HA 0.420 4.891 4.470 0.001 0.000 0.270 86 S C -2.626 171.842 174.600 -0.220 0.000 1.152 86 S CA -1.175 57.003 58.200 -0.037 0.000 0.835 86 S CB 1.516 64.775 63.200 0.099 0.000 1.115 86 S HN -0.264 nan 8.310 nan 0.000 0.459 87 P HA -0.025 nan 4.420 nan 0.000 0.220 87 P C 0.663 177.473 177.300 -0.817 0.000 1.148 87 P CA 1.161 63.646 63.100 -1.025 0.000 0.803 87 P CB -0.220 30.192 31.700 -2.147 0.000 0.782 88 W N -0.338 120.796 121.300 -0.276 0.000 2.443 88 W HA 0.034 4.694 4.660 0.000 0.000 0.296 88 W C 2.313 178.730 176.519 -0.170 0.000 1.202 88 W CA -0.135 57.120 57.345 -0.151 0.000 1.312 88 W CB -0.889 28.507 29.460 -0.107 0.000 1.120 88 W HN -0.209 nan 8.180 nan 0.000 0.536 89 I N 0.088 120.639 120.570 -0.033 0.000 2.500 89 I HA -0.124 4.047 4.170 0.001 0.000 0.252 89 I C 1.230 177.302 176.117 -0.075 0.000 1.142 89 I CA 1.039 62.245 61.300 -0.156 0.000 1.451 89 I CB -1.521 36.287 38.000 -0.321 0.000 1.093 89 I HN 0.170 nan 8.210 nan 0.000 0.430 90 N N 0.994 119.651 118.700 -0.072 0.000 6.506 90 N HA -0.215 4.525 4.740 0.001 0.000 0.396 90 N C -0.269 175.261 175.510 0.035 0.000 0.931 90 N CA 1.068 54.093 53.050 -0.042 0.000 1.204 90 N CB -0.386 38.089 38.487 -0.020 0.000 0.829 90 N HN 0.170 nan 8.380 nan 0.000 0.351 91 D N -0.909 119.523 120.400 0.054 0.000 2.449 91 D HA 0.741 5.381 4.640 0.001 0.000 0.250 91 D C -0.770 175.649 176.300 0.199 0.000 1.050 91 D CA 0.076 54.118 54.000 0.071 0.000 1.024 91 D CB 0.875 41.666 40.800 -0.014 0.000 1.218 91 D HN 0.439 nan 8.370 nan 0.000 0.566 92 Y N -3.084 117.290 120.300 0.123 0.000 2.641 92 Y HA 0.474 5.024 4.550 0.001 0.000 0.333 92 Y C 0.167 176.316 175.900 0.414 0.000 1.174 92 Y CA -1.068 57.139 58.100 0.179 0.000 1.057 92 Y CB 0.843 39.280 38.460 -0.039 0.000 1.322 92 Y HN 0.519 nan 8.280 nan 0.000 0.457 93 G N 2.151 111.373 108.800 0.703 0.000 2.350 93 G HA2 -0.114 3.846 3.960 0.001 0.000 0.298 93 G HA3 -0.114 3.846 3.960 0.001 0.000 0.298 93 G C -0.789 174.252 174.900 0.234 0.000 1.037 93 G CA 0.357 45.803 45.100 0.577 0.000 1.074 93 G HN 1.011 nan 8.290 nan 0.000 0.511 94 Q N -0.749 119.063 119.800 0.019 0.000 2.340 94 Q HA 0.842 5.183 4.340 0.001 0.000 0.268 94 Q C -0.342 175.263 176.000 -0.659 0.000 1.031 94 Q CA -1.241 54.306 55.803 -0.427 0.000 0.804 94 Q CB 2.106 30.533 28.738 -0.519 0.000 1.286 94 Q HN 1.033 nan 8.270 nan 0.000 0.448 95 F N -0.930 118.505 119.950 -0.859 0.000 2.711 95 F HA 0.833 5.360 4.527 0.001 0.000 0.313 95 F C -1.318 174.215 175.800 -0.445 0.000 1.141 95 F CA -0.811 56.730 58.000 -0.766 0.000 0.941 95 F CB 1.450 40.081 39.000 -0.616 0.000 1.349 95 F HN 0.701 nan 8.300 nan 0.000 0.464 96 S N 1.303 116.997 115.700 -0.009 0.000 2.627 96 S HA 0.850 5.320 4.470 0.001 0.000 0.283 96 S C -1.623 173.106 174.600 0.215 0.000 1.127 96 S CA -0.729 57.514 58.200 0.072 0.000 0.863 96 S CB 2.036 65.352 63.200 0.194 0.000 1.121 96 S HN 1.195 nan 8.310 nan 0.000 0.479 97 I N 1.158 121.838 120.570 0.184 0.000 2.647 97 I HA 0.775 4.946 4.170 0.001 0.000 0.295 97 I C -1.894 174.328 176.117 0.176 0.000 1.078 97 I CA -1.085 60.296 61.300 0.134 0.000 1.048 97 I CB 2.116 40.100 38.000 -0.026 0.000 1.239 97 I HN 0.877 nan 8.210 nan 0.000 0.421 98 M N 10.553 130.208 119.600 0.092 0.000 2.182 98 M HA 0.529 5.010 4.480 0.001 0.000 0.266 98 M C -2.915 173.332 176.300 -0.088 0.000 0.989 98 M CA -1.974 53.381 55.300 0.092 0.000 1.003 98 M CB 2.066 34.689 32.600 0.039 0.000 1.812 98 M HN 0.148 nan 8.290 nan 0.000 0.472 99 P HA 0.518 nan 4.420 nan 0.000 0.285 99 P C -1.072 176.070 177.300 -0.264 0.000 1.259 99 P CA -0.239 62.667 63.100 -0.324 0.000 0.794 99 P CB 0.594 31.880 31.700 -0.690 0.000 0.940 100 I N -0.128 120.333 120.570 -0.182 0.000 3.264 100 I HA 0.771 4.942 4.170 0.001 0.000 0.315 100 I C -1.446 174.664 176.117 -0.013 0.000 1.154 100 I CA -1.431 59.580 61.300 -0.482 0.000 0.962 100 I CB 2.373 40.123 38.000 -0.416 0.000 1.265 100 I HN 0.033 nan 8.210 nan 0.000 0.463 101 V N 1.517 121.454 119.914 0.038 0.000 2.925 101 V HA 0.852 4.972 4.120 0.001 0.000 0.311 101 V C 0.545 176.783 176.094 0.240 0.000 1.104 101 V CA 0.689 63.119 62.300 0.217 0.000 0.954 101 V CB 1.282 33.259 31.823 0.257 0.000 1.022 101 V HN 1.380 nan 8.190 nan 0.000 0.427 102 G N 3.590 112.539 108.800 0.247 0.000 3.299 102 G HA2 -0.129 3.831 3.960 0.001 0.000 0.251 102 G HA3 -0.129 3.831 3.960 0.001 0.000 0.251 102 G C -0.318 174.680 174.900 0.163 0.000 1.741 102 G CA -0.180 45.039 45.100 0.199 0.000 1.151 102 G HN 0.641 nan 8.290 nan 0.000 0.561 103 Q N 2.469 122.291 119.800 0.036 0.000 2.235 103 Q HA 0.507 4.847 4.340 0.001 0.000 0.250 103 Q C -2.320 173.474 176.000 -0.344 0.000 0.909 103 Q CA -1.686 54.041 55.803 -0.128 0.000 0.910 103 Q CB 1.662 30.341 28.738 -0.099 0.000 1.223 103 Q HN 0.461 nan 8.270 nan 0.000 0.432 104 P HA 0.092 nan 4.420 nan 0.000 0.279 104 P C -0.747 176.314 177.300 -0.398 0.000 1.318 104 P CA -0.159 62.372 63.100 -0.949 0.000 0.819 104 P CB 0.272 31.211 31.700 -1.268 0.000 0.927 105 V N 1.279 121.042 119.914 -0.252 0.000 2.588 105 V HA 0.415 4.535 4.120 0.001 0.000 0.304 105 V C 0.471 176.552 176.094 -0.021 0.000 1.042 105 V CA -0.733 61.507 62.300 -0.101 0.000 0.877 105 V CB 1.669 33.449 31.823 -0.071 0.000 0.996 105 V HN 0.266 nan 8.190 nan 0.000 0.425 106 F N 2.016 121.890 119.950 -0.128 0.000 2.374 106 F HA 0.234 4.761 4.527 0.001 0.000 0.291 106 F C 1.391 177.135 175.800 -0.093 0.000 1.084 106 F CA 0.548 58.479 58.000 -0.115 0.000 1.413 106 F CB 0.188 39.105 39.000 -0.137 0.000 1.099 106 F HN 0.825 nan 8.300 nan 0.000 0.534 107 D N 1.896 122.260 120.400 -0.059 0.000 2.586 107 D HA -0.157 4.484 4.640 0.001 0.000 0.234 107 D C 1.091 177.274 176.300 -0.196 0.000 1.132 107 D CA 0.670 54.600 54.000 -0.118 0.000 0.860 107 D CB 0.794 41.570 40.800 -0.040 0.000 1.159 107 D HN 0.667 nan 8.370 nan 0.000 0.490 108 E N 2.736 122.801 120.200 -0.225 0.000 2.338 108 E HA -0.182 4.168 4.350 0.001 0.000 0.197 108 E C 0.914 177.430 176.600 -0.140 0.000 1.007 108 E CA 0.955 57.224 56.400 -0.218 0.000 0.849 108 E CB 0.064 29.630 29.700 -0.225 0.000 0.774 108 E HN 0.589 nan 8.360 nan 0.000 0.506 109 E N 1.232 121.368 120.200 -0.106 0.000 2.075 109 E HA -0.017 4.333 4.350 0.001 0.000 0.190 109 E C 1.932 178.500 176.600 -0.054 0.000 0.969 109 E CA 0.453 56.805 56.400 -0.080 0.000 0.815 109 E CB 0.053 29.712 29.700 -0.067 0.000 0.776 109 E HN 0.205 nan 8.360 nan 0.000 0.457 110 K N 1.155 121.527 120.400 -0.045 0.000 2.211 110 K HA -0.115 4.205 4.320 0.001 0.000 0.203 110 K C 2.258 178.865 176.600 0.013 0.000 1.050 110 K CA 1.020 57.297 56.287 -0.017 0.000 0.945 110 K CB -0.096 32.392 32.500 -0.020 0.000 0.732 110 K HN 0.067 nan 8.250 nan 0.000 0.451 111 R N 0.703 121.198 120.500 -0.008 0.000 2.275 111 R HA 0.165 4.505 4.340 0.001 0.000 0.199 111 R C 0.572 176.961 176.300 0.148 0.000 0.989 111 R CA 0.265 56.393 56.100 0.047 0.000 1.016 111 R CB 0.011 30.278 30.300 -0.054 0.000 0.918 111 R HN -0.067 nan 8.270 nan 0.000 0.473 112 A N 1.259 124.106 122.820 0.044 0.000 2.366 112 A HA 0.341 4.661 4.320 0.001 0.000 0.249 112 A C -0.333 177.252 177.584 0.001 0.000 1.084 112 A CA -0.044 51.999 52.037 0.010 0.000 0.794 112 A CB 0.862 19.820 19.000 -0.070 0.000 1.034 112 A HN 0.343 nan 8.150 nan 0.000 0.491 113 S N -0.006 115.683 115.700 -0.018 0.000 2.571 113 S HA 0.479 4.949 4.470 0.001 0.000 0.284 113 S C -1.000 173.639 174.600 0.066 0.000 1.128 113 S CA -0.538 57.636 58.200 -0.043 0.000 0.970 113 S CB 0.258 63.412 63.200 -0.077 0.000 1.039 113 S HN 0.574 nan 8.310 nan 0.000 0.485 114 W N 4.594 125.876 121.300 -0.031 0.000 2.364 114 W HA 0.314 4.974 4.660 0.001 0.000 0.343 114 W C 0.174 176.766 176.519 0.121 0.000 1.237 114 W CA 0.689 58.044 57.345 0.016 0.000 1.319 114 W CB 0.299 29.731 29.460 -0.047 0.000 1.179 114 W HN 0.575 nan 8.180 nan 0.000 0.578 115 F N 1.099 121.160 119.950 0.186 0.000 2.711 115 F HA 0.861 5.389 4.527 0.001 0.000 0.313 115 F C -1.188 174.658 175.800 0.077 0.000 1.141 115 F CA -1.849 56.217 58.000 0.110 0.000 0.941 115 F CB 0.599 39.617 39.000 0.029 0.000 1.349 115 F HN 0.422 nan 8.300 nan 0.000 0.464 116 A N 0.515 123.208 122.820 -0.211 0.000 2.515 116 A HA 0.543 4.863 4.320 0.001 0.000 0.296 116 A C -0.098 177.366 177.584 -0.200 0.000 1.094 116 A CA -0.735 51.023 52.037 -0.464 0.000 0.718 116 A CB 0.687 19.600 19.000 -0.144 0.000 1.307 116 A HN 0.992 nan 8.150 nan 0.000 0.408 117 H N 0.564 119.587 119.070 -0.079 0.000 2.489 117 H HA -0.035 4.522 4.556 0.001 0.000 0.293 117 H C 0.870 176.276 175.328 0.130 0.000 1.066 117 H CA 1.601 57.713 56.048 0.107 0.000 1.305 117 H CB 0.234 30.031 29.762 0.059 0.000 1.386 117 H HN 0.628 nan 8.280 nan 0.000 0.551 118 K N 0.318 120.825 120.400 0.178 0.000 2.525 118 K HA 0.027 4.347 4.320 0.001 0.000 0.192 118 K C 1.526 178.194 176.600 0.112 0.000 1.029 118 K CA 0.427 56.792 56.287 0.131 0.000 1.029 118 K CB 0.447 33.004 32.500 0.094 0.000 0.814 118 K HN 0.158 nan 8.250 nan 0.000 0.503 119 G N 0.858 109.747 108.800 0.148 0.000 3.690 119 G HA2 0.009 3.970 3.960 0.001 0.000 0.283 119 G HA3 0.009 3.970 3.960 0.001 0.000 0.283 119 G C -0.548 174.457 174.900 0.175 0.000 1.057 119 G CA -0.185 45.015 45.100 0.166 0.000 0.821 119 G HN 0.120 nan 8.290 nan 0.000 0.526 120 E N 0.295 120.582 120.200 0.145 0.000 2.293 120 E HA 0.548 4.899 4.350 0.001 0.000 0.270 120 E C -1.613 174.971 176.600 -0.027 0.000 0.879 120 E CA -0.575 55.859 56.400 0.056 0.000 0.756 120 E CB 2.738 32.584 29.700 0.244 0.000 1.208 120 E HN -0.104 nan 8.360 nan 0.000 0.428 121 V N 2.684 122.465 119.914 -0.221 0.000 2.447 121 V HA 0.580 4.700 4.120 0.001 0.000 0.292 121 V C -0.576 175.331 176.094 -0.312 0.000 1.021 121 V CA -0.648 61.556 62.300 -0.159 0.000 0.850 121 V CB 1.200 33.002 31.823 -0.034 0.000 1.005 121 V HN 0.727 nan 8.190 nan 0.000 0.426 122 A N 3.805 126.539 122.820 -0.144 0.000 2.273 122 A HA 0.885 5.206 4.320 0.001 0.000 0.315 122 A C 0.193 177.690 177.584 -0.145 0.000 1.256 122 A CA -0.257 51.744 52.037 -0.060 0.000 0.851 122 A CB 1.019 20.094 19.000 0.125 0.000 1.172 122 A HN 0.913 nan 8.150 nan 0.000 0.508 123 T N -0.155 114.246 114.554 -0.255 0.000 2.916 123 T HA 0.670 5.020 4.350 0.001 0.000 0.292 123 T C -2.464 171.923 174.700 -0.521 0.000 1.064 123 T CA -1.849 59.967 62.100 -0.474 0.000 1.011 123 T CB 1.758 70.127 68.868 -0.832 0.000 1.152 123 T HN 0.122 nan 8.240 nan 0.000 0.510 124 P HA -0.036 nan 4.420 nan 0.000 0.219 124 P C 0.799 177.989 177.300 -0.183 0.000 1.146 124 P CA 1.056 63.791 63.100 -0.608 0.000 0.808 124 P CB -0.315 30.626 31.700 -1.266 0.000 0.779 125 Y N -4.200 116.072 120.300 -0.046 0.000 2.449 125 Y HA 0.449 4.999 4.550 0.001 0.000 0.254 125 Y C 0.216 176.206 175.900 0.150 0.000 1.140 125 Y CA -1.069 57.107 58.100 0.127 0.000 1.272 125 Y CB -0.204 38.358 38.460 0.170 0.000 1.114 125 Y HN -0.147 nan 8.280 nan 0.000 0.525 126 Y N 0.419 120.519 120.300 -0.333 0.000 2.424 126 Y HA 0.441 4.991 4.550 0.001 0.000 0.323 126 Y C -2.453 173.334 175.900 -0.188 0.000 1.174 126 Y CA -2.217 55.746 58.100 -0.228 0.000 1.060 126 Y CB 0.893 39.227 38.460 -0.210 0.000 1.314 126 Y HN 0.054 nan 8.280 nan 0.000 0.439 127 Y N 6.582 126.393 120.300 -0.815 0.000 2.406 127 Y HA 0.619 5.169 4.550 0.001 0.000 0.340 127 Y C -1.456 173.963 175.900 -0.802 0.000 0.975 127 Y CA -0.821 56.899 58.100 -0.635 0.000 1.056 127 Y CB 1.445 39.716 38.460 -0.314 0.000 1.210 127 Y HN 0.685 nan 8.280 nan 0.000 0.448 128 K N 5.526 125.309 120.400 -1.028 0.000 2.422 128 K HA 0.798 5.119 4.320 0.001 0.000 0.251 128 K C -2.414 173.868 176.600 -0.530 0.000 0.933 128 K CA -0.837 55.085 56.287 -0.609 0.000 0.798 128 K CB 2.273 34.562 32.500 -0.352 0.000 1.238 128 K HN 0.562 nan 8.250 nan 0.000 0.428 129 V N 4.201 124.035 119.914 -0.134 0.000 3.012 129 V HA 0.394 4.514 4.120 0.001 0.000 0.307 129 V C -2.025 174.201 176.094 0.220 0.000 1.166 129 V CA -0.753 61.587 62.300 0.067 0.000 0.974 129 V CB 1.864 33.803 31.823 0.193 0.000 1.040 129 V HN 0.810 nan 8.190 nan 0.000 0.428 130 Y N 6.040 126.420 120.300 0.133 0.000 2.367 130 Y HA 0.628 5.178 4.550 0.001 0.000 0.342 130 Y C -0.318 175.708 175.900 0.211 0.000 0.979 130 Y CA -0.661 57.528 58.100 0.148 0.000 1.161 130 Y CB 1.133 39.661 38.460 0.114 0.000 1.155 130 Y HN 0.572 nan 8.280 nan 0.000 0.503 131 L N 7.746 128.810 121.223 -0.265 0.000 2.282 131 L HA 0.364 4.704 4.340 0.001 0.000 0.287 131 L C 1.263 177.829 176.870 -0.506 0.000 1.075 131 L CA -0.184 54.551 54.840 -0.175 0.000 0.839 131 L CB 0.808 42.903 42.059 0.059 0.000 1.219 131 L HN 0.906 nan 8.230 nan 0.000 0.434 132 A N 2.514 125.148 122.820 -0.310 0.000 1.972 132 A HA -0.149 4.172 4.320 0.001 0.000 0.219 132 A C 2.008 179.511 177.584 -0.134 0.000 1.169 132 A CA 1.406 53.316 52.037 -0.210 0.000 0.635 132 A CB -0.160 18.888 19.000 0.080 0.000 0.810 132 A HN 0.817 nan 8.150 nan 0.000 0.446 133 E N -1.575 118.531 120.200 -0.156 0.000 2.371 133 E HA -0.058 4.292 4.350 0.001 0.000 0.194 133 E C 1.109 177.550 176.600 -0.264 0.000 1.012 133 E CA 0.499 56.771 56.400 -0.212 0.000 0.860 133 E CB 0.021 29.572 29.700 -0.247 0.000 0.811 133 E HN 0.725 nan 8.360 nan 0.000 0.502 134 H N -0.518 118.540 119.070 -0.019 0.000 2.740 134 H HA 0.041 4.598 4.556 0.001 0.000 0.265 134 H C 0.086 175.420 175.328 0.010 0.000 0.978 134 H CA 0.476 56.534 56.048 0.016 0.000 1.198 134 H CB 0.551 30.328 29.762 0.026 0.000 1.467 134 H HN 0.063 nan 8.280 nan 0.000 0.511 135 D N 0.825 121.226 120.400 0.003 0.000 2.705 135 D HA -0.176 4.464 4.640 0.001 0.000 0.240 135 D C -0.761 175.598 176.300 0.099 0.000 1.137 135 D CA 0.297 54.327 54.000 0.051 0.000 0.677 135 D CB -1.654 39.256 40.800 0.182 0.000 1.049 135 D HN 0.397 nan 8.370 nan 0.000 0.427 136 I N -0.071 120.469 120.570 -0.050 0.000 2.545 136 I HA 0.374 4.545 4.170 0.001 0.000 0.292 136 I C 0.231 176.377 176.117 0.048 0.000 1.040 136 I CA -1.267 60.027 61.300 -0.010 0.000 1.068 136 I CB 2.183 40.114 38.000 -0.115 0.000 1.251 136 I HN -0.204 nan 8.210 nan 0.000 0.424 137 V N 4.491 124.488 119.914 0.138 0.000 2.439 137 V HA 0.408 4.528 4.120 0.001 0.000 0.282 137 V C 0.082 176.220 176.094 0.074 0.000 1.039 137 V CA -0.179 62.223 62.300 0.171 0.000 0.913 137 V CB 1.671 33.598 31.823 0.174 0.000 0.983 137 V HN 0.738 nan 8.190 nan 0.000 0.460 138 T N 5.115 119.699 114.554 0.051 0.000 2.807 138 T HA 0.571 4.921 4.350 0.001 0.000 0.279 138 T C -0.585 173.996 174.700 -0.199 0.000 0.993 138 T CA -0.573 61.473 62.100 -0.089 0.000 0.970 138 T CB 1.300 70.000 68.868 -0.280 0.000 0.950 138 T HN 0.749 nan 8.240 nan 0.000 0.441 139 E N 2.664 122.676 120.200 -0.314 0.000 2.288 139 E HA 0.697 5.048 4.350 0.001 0.000 0.268 139 E C -0.640 175.616 176.600 -0.573 0.000 0.885 139 E CA -0.919 55.239 56.400 -0.403 0.000 0.767 139 E CB 2.344 31.901 29.700 -0.238 0.000 1.220 139 E HN 0.649 nan 8.360 nan 0.000 0.427 140 M N -0.451 118.763 119.600 -0.643 0.000 2.371 140 M HA 0.577 5.058 4.480 0.001 0.000 0.287 140 M C -1.405 174.605 176.300 -0.484 0.000 1.149 140 M CA -0.785 54.014 55.300 -0.833 0.000 0.929 140 M CB 2.227 33.987 32.600 -1.399 0.000 1.683 140 M HN 0.392 nan 8.290 nan 0.000 0.470 141 T N 0.519 114.845 114.554 -0.380 0.000 2.949 141 T HA 0.739 5.089 4.350 0.001 0.000 0.300 141 T C -3.162 171.446 174.700 -0.152 0.000 0.988 141 T CA -1.301 60.723 62.100 -0.127 0.000 0.993 141 T CB 1.676 70.565 68.868 0.036 0.000 0.984 141 T HN 0.602 nan 8.240 nan 0.000 0.442 142 P HA 0.458 nan 4.420 nan 0.000 0.285 142 P C 0.075 177.430 177.300 0.091 0.000 1.269 142 P CA -0.322 62.778 63.100 0.000 0.000 0.844 142 P CB 1.696 33.471 31.700 0.125 0.000 1.094 143 T N -2.348 112.268 114.554 0.104 0.000 2.855 143 T HA 0.300 4.651 4.350 0.001 0.000 0.275 143 T C 1.225 176.025 174.700 0.168 0.000 1.022 143 T CA -0.329 61.843 62.100 0.121 0.000 0.977 143 T CB 0.152 69.076 68.868 0.093 0.000 1.559 143 T HN 0.311 nan 8.240 nan 0.000 0.600 144 E N 0.152 120.439 120.200 0.145 0.000 2.106 144 E HA -0.026 4.325 4.350 0.001 0.000 0.192 144 E C 2.026 178.735 176.600 0.180 0.000 0.984 144 E CA 0.871 57.365 56.400 0.158 0.000 0.806 144 E CB 0.043 29.806 29.700 0.105 0.000 0.750 144 E HN 0.447 nan 8.360 nan 0.000 0.458 145 R N -1.386 119.215 120.500 0.168 0.000 2.556 145 R HA 0.326 4.666 4.340 0.001 0.000 0.276 145 R C -0.057 176.385 176.300 0.238 0.000 0.931 145 R CA 0.007 56.216 56.100 0.181 0.000 1.061 145 R CB 1.510 31.878 30.300 0.113 0.000 1.432 145 R HN -0.065 nan 8.270 nan 0.000 0.547 146 A N 0.537 123.486 122.820 0.216 0.000 2.389 146 A HA 0.829 5.149 4.320 0.001 0.000 0.293 146 A C -1.294 176.366 177.584 0.126 0.000 1.186 146 A CA -0.637 51.519 52.037 0.199 0.000 0.828 146 A CB 2.102 21.178 19.000 0.127 0.000 1.369 146 A HN -0.059 nan 8.150 nan 0.000 0.446 147 V N -0.238 119.665 119.914 -0.017 0.000 3.077 147 V HA 0.605 4.726 4.120 0.001 0.000 0.299 147 V C -2.082 173.863 176.094 -0.248 0.000 1.276 147 V CA -0.530 61.601 62.300 -0.282 0.000 0.993 147 V CB 1.972 33.270 31.823 -0.876 0.000 1.076 147 V HN 1.169 nan 8.190 nan 0.000 0.434 148 L N 5.627 126.668 121.223 -0.302 0.000 2.313 148 L HA 0.735 5.075 4.340 0.001 0.000 0.283 148 L C -1.298 175.313 176.870 -0.431 0.000 1.013 148 L CA 0.177 54.875 54.840 -0.238 0.000 0.816 148 L CB 1.333 43.306 42.059 -0.145 0.000 1.236 148 L HN 0.562 nan 8.230 nan 0.000 0.419 149 F N 4.238 123.943 119.950 -0.409 0.000 2.421 149 F HA 0.608 5.135 4.527 0.001 0.000 0.337 149 F C 0.285 175.716 175.800 -0.614 0.000 1.105 149 F CA -0.355 57.268 58.000 -0.629 0.000 1.049 149 F CB 1.451 39.946 39.000 -0.843 0.000 1.139 149 F HN 0.407 nan 8.300 nan 0.000 0.479 150 R N 3.987 124.197 120.500 -0.484 0.000 2.451 150 R HA 0.491 4.831 4.340 0.001 0.000 0.307 150 R C -1.942 174.114 176.300 -0.406 0.000 0.965 150 R CA -0.475 55.428 56.100 -0.329 0.000 0.865 150 R CB 0.650 30.867 30.300 -0.139 0.000 1.174 150 R HN 0.537 nan 8.270 nan 0.000 0.455 151 F N 2.199 122.181 119.950 0.053 0.000 2.415 151 F HA 0.320 4.847 4.527 0.001 0.000 0.348 151 F C 0.404 176.162 175.800 -0.070 0.000 1.119 151 F CA -0.744 57.201 58.000 -0.092 0.000 1.069 151 F CB 2.289 41.188 39.000 -0.169 0.000 1.124 151 F HN 0.277 nan 8.300 nan 0.000 0.472 152 T N 4.622 119.201 114.554 0.041 0.000 2.832 152 T HA 0.372 4.722 4.350 0.001 0.000 0.313 152 T C -0.423 174.294 174.700 0.030 0.000 1.035 152 T CA -0.364 61.784 62.100 0.081 0.000 0.950 152 T CB -0.266 68.655 68.868 0.088 0.000 0.984 152 T HN 0.165 nan 8.240 nan 0.000 0.486 153 F N 5.155 125.200 119.950 0.159 0.000 2.371 153 F HA 0.426 4.954 4.527 0.001 0.000 0.329 153 F C -1.480 174.387 175.800 0.111 0.000 1.107 153 F CA -2.081 56.002 58.000 0.137 0.000 1.137 153 F CB 0.901 39.974 39.000 0.122 0.000 1.214 153 F HN 0.317 nan 8.300 nan 0.000 0.536 154 P HA 0.065 nan 4.420 nan 0.000 0.282 154 P C -1.111 176.290 177.300 0.168 0.000 1.287 154 P CA -0.608 62.619 63.100 0.211 0.000 0.792 154 P CB 0.554 32.369 31.700 0.191 0.000 1.163 155 E N 0.941 121.206 120.200 0.107 0.000 2.351 155 E HA 0.071 4.421 4.350 0.001 0.000 0.266 155 E C -0.553 176.073 176.600 0.045 0.000 1.031 155 E CA 0.140 56.576 56.400 0.060 0.000 0.911 155 E CB -0.244 29.481 29.700 0.041 0.000 0.986 155 E HN 0.275 nan 8.360 nan 0.000 0.446 156 N N 3.821 122.523 118.700 0.004 0.000 2.647 156 N HA 0.013 4.753 4.740 0.001 0.000 0.259 156 N C -0.902 174.529 175.510 -0.131 0.000 1.098 156 N CA -0.460 52.570 53.050 -0.034 0.000 0.984 156 N CB 1.571 40.070 38.487 0.020 0.000 1.683 156 N HN 0.389 nan 8.380 nan 0.000 0.501 157 D N -0.018 120.246 120.400 -0.226 0.000 2.264 157 D HA -0.034 4.606 4.640 0.001 0.000 0.208 157 D C -0.189 175.737 176.300 -0.623 0.000 0.966 157 D CA 1.475 55.211 54.000 -0.440 0.000 0.864 157 D CB 0.118 40.556 40.800 -0.603 0.000 0.933 157 D HN 0.393 nan 8.370 nan 0.000 0.499 158 H N -0.226 118.733 119.070 -0.185 0.000 2.423 158 H HA 0.418 4.975 4.556 0.001 0.000 0.237 158 H C -0.492 174.517 175.328 -0.532 0.000 1.391 158 H CA -0.345 55.469 56.048 -0.391 0.000 1.453 158 H CB 0.324 30.008 29.762 -0.131 0.000 1.484 158 H HN -0.200 nan 8.280 nan 0.000 0.505 159 S N 1.969 117.304 115.700 -0.609 0.000 2.509 159 S HA 0.630 5.100 4.470 0.001 0.000 0.297 159 S C -0.659 173.364 174.600 -0.961 0.000 1.118 159 S CA -0.477 57.391 58.200 -0.552 0.000 1.074 159 S CB 1.178 64.015 63.200 -0.605 0.000 1.038 159 S HN 0.358 nan 8.310 nan 0.000 0.498 160 Y N -0.160 119.967 120.300 -0.288 0.000 2.609 160 Y HA 0.638 5.188 4.550 0.001 0.000 0.342 160 Y C -0.526 175.244 175.900 -0.216 0.000 1.058 160 Y CA -1.113 56.758 58.100 -0.382 0.000 1.055 160 Y CB 1.418 39.690 38.460 -0.312 0.000 1.292 160 Y HN 0.309 nan 8.280 nan 0.000 0.476 161 V N 2.358 122.206 119.914 -0.111 0.000 2.588 161 V HA 0.506 4.627 4.120 0.001 0.000 0.304 161 V C -0.930 175.147 176.094 -0.030 0.000 1.042 161 V CA -0.899 61.355 62.300 -0.076 0.000 0.877 161 V CB 1.770 33.582 31.823 -0.018 0.000 0.996 161 V HN 0.529 nan 8.190 nan 0.000 0.425 162 V N 5.327 125.244 119.914 0.005 0.000 2.398 162 V HA 0.483 4.603 4.120 0.001 0.000 0.286 162 V C -0.170 176.013 176.094 0.147 0.000 1.026 162 V CA -0.548 61.797 62.300 0.075 0.000 0.868 162 V CB 1.862 33.707 31.823 0.037 0.000 0.982 162 V HN 0.612 nan 8.190 nan 0.000 0.443 163 V N 3.872 123.920 119.914 0.223 0.000 2.384 163 V HA 0.455 4.575 4.120 0.001 0.000 0.287 163 V C -0.519 175.817 176.094 0.403 0.000 1.020 163 V CA -0.421 62.050 62.300 0.284 0.000 0.850 163 V CB 1.789 33.780 31.823 0.280 0.000 0.987 163 V HN 0.895 nan 8.190 nan 0.000 0.436 164 D N 3.924 124.575 120.400 0.418 0.000 2.471 164 D HA 0.532 5.173 4.640 0.001 0.000 0.245 164 D C 0.476 177.148 176.300 0.620 0.000 1.116 164 D CA -0.384 53.955 54.000 0.565 0.000 0.853 164 D CB 2.129 43.138 40.800 0.348 0.000 1.123 164 D HN 0.550 nan 8.370 nan 0.000 0.540 165 A N 3.844 127.031 122.820 0.611 0.000 2.251 165 A HA 0.308 4.629 4.320 0.001 0.000 0.209 165 A C 0.325 178.280 177.584 0.619 0.000 1.187 165 A CA -0.065 52.291 52.037 0.532 0.000 0.823 165 A CB -0.564 18.703 19.000 0.443 0.000 0.846 165 A HN 0.536 nan 8.150 nan 0.000 0.486 166 F N -0.565 119.582 119.950 0.327 0.000 2.183 166 F HA -0.179 4.348 4.527 0.001 0.000 0.318 166 F C 0.538 176.258 175.800 -0.133 0.000 0.454 166 F CA 0.455 58.486 58.000 0.051 0.000 0.912 166 F CB -0.968 38.072 39.000 0.066 0.000 4.135 166 F HN 0.584 nan 8.300 nan 0.000 0.137 167 D N 0.392 120.660 120.400 -0.219 0.000 2.539 167 D HA 0.407 5.047 4.640 0.001 0.000 0.280 167 D C 0.205 176.542 176.300 0.062 0.000 1.208 167 D CA 0.152 54.044 54.000 -0.181 0.000 1.088 167 D CB 0.532 41.138 40.800 -0.324 0.000 1.149 167 D HN 0.491 nan 8.370 nan 0.000 0.596 168 K N -1.609 118.832 120.400 0.068 0.000 3.391 168 K HA -0.034 4.286 4.320 0.001 0.000 0.307 168 K C 0.354 177.037 176.600 0.140 0.000 1.304 168 K CA 1.020 57.370 56.287 0.104 0.000 0.904 168 K CB -2.303 30.265 32.500 0.113 0.000 1.293 168 K HN 1.403 nan 8.250 nan 0.000 0.470 169 G N 0.143 109.035 108.800 0.153 0.000 3.380 169 G HA2 0.094 4.054 3.960 0.001 0.000 0.685 169 G HA3 0.094 4.054 3.960 0.001 0.000 0.685 169 G C -0.260 174.782 174.900 0.237 0.000 1.136 169 G CA 0.113 45.321 45.100 0.180 0.000 1.011 169 G HN 0.945 nan 8.290 nan 0.000 0.471 170 S N 1.029 116.849 115.700 0.200 0.000 2.752 170 S HA 0.905 5.375 4.470 0.001 0.000 0.284 170 S C -1.050 173.501 174.600 -0.083 0.000 1.189 170 S CA -0.770 57.509 58.200 0.131 0.000 0.835 170 S CB 2.725 66.047 63.200 0.204 0.000 1.192 170 S HN 2.159 nan 8.310 nan 0.000 0.506 171 Y N -0.316 119.681 120.300 -0.506 0.000 2.519 171 Y HA 0.805 5.356 4.550 0.001 0.000 0.336 171 Y C -2.143 173.537 175.900 -0.367 0.000 1.089 171 Y CA -0.962 56.789 58.100 -0.582 0.000 1.025 171 Y CB 1.336 39.071 38.460 -1.208 0.000 1.318 171 Y HN 1.006 nan 8.280 nan 0.000 0.452 172 I N 4.830 124.796 120.570 -1.006 0.000 2.827 172 I HA 0.564 4.734 4.170 0.001 0.000 0.298 172 I C -1.886 173.709 176.117 -0.871 0.000 1.235 172 I CA -0.478 60.370 61.300 -0.755 0.000 1.021 172 I CB 2.157 39.976 38.000 -0.301 0.000 1.259 172 I HN 0.662 nan 8.210 nan 0.000 0.427 173 K N 7.128 127.171 120.400 -0.595 0.000 2.535 173 K HA 0.598 4.919 4.320 0.001 0.000 0.251 173 K C -1.869 174.617 176.600 -0.190 0.000 0.942 173 K CA -0.527 55.535 56.287 -0.375 0.000 0.798 173 K CB 1.525 33.819 32.500 -0.343 0.000 1.267 173 K HN 0.564 nan 8.250 nan 0.000 0.434 174 I N 5.900 126.397 120.570 -0.122 0.000 2.315 174 I HA 0.306 4.477 4.170 0.001 0.000 0.291 174 I C -0.146 175.991 176.117 0.033 0.000 1.006 174 I CA -0.693 60.590 61.300 -0.028 0.000 1.265 174 I CB 1.106 39.059 38.000 -0.079 0.000 1.387 174 I HN 0.450 nan 8.210 nan 0.000 0.475 175 I N 8.921 129.557 120.570 0.110 0.000 2.442 175 I HA 0.224 4.394 4.170 0.001 0.000 0.279 175 I C -1.469 174.743 176.117 0.159 0.000 1.081 175 I CA -1.517 59.838 61.300 0.092 0.000 1.197 175 I CB 0.838 38.862 38.000 0.041 0.000 1.394 175 I HN 0.385 nan 8.210 nan 0.000 0.488 176 P HA -0.139 nan 4.420 nan 0.000 0.220 176 P C 0.857 178.132 177.300 -0.042 0.000 1.148 176 P CA 1.308 64.481 63.100 0.122 0.000 0.803 176 P CB 0.289 32.083 31.700 0.157 0.000 0.782 177 E N 0.470 120.664 120.200 -0.010 0.000 2.333 177 E HA -0.147 4.203 4.350 0.001 0.000 0.198 177 E C 1.288 177.864 176.600 -0.040 0.000 1.007 177 E CA 0.983 57.365 56.400 -0.029 0.000 0.845 177 E CB -0.554 29.139 29.700 -0.012 0.000 0.766 177 E HN 0.498 nan 8.360 nan 0.000 0.507 178 E N -0.063 120.118 120.200 -0.032 0.000 2.630 178 E HA 0.134 4.485 4.350 0.001 0.000 0.218 178 E C -0.523 176.057 176.600 -0.033 0.000 0.977 178 E CA -0.294 56.095 56.400 -0.018 0.000 1.038 178 E CB 0.368 30.078 29.700 0.018 0.000 1.051 178 E HN 0.069 nan 8.360 nan 0.000 0.487 179 N N 2.137 120.727 118.700 -0.183 0.000 2.714 179 N HA -0.213 4.527 4.740 0.001 0.000 0.252 179 N C -0.666 174.987 175.510 0.239 0.000 1.014 179 N CA 1.164 53.967 53.050 -0.413 0.000 0.735 179 N CB -0.947 37.376 38.487 -0.272 0.000 0.924 179 N HN 0.258 nan 8.380 nan 0.000 0.540 180 K N 0.267 120.899 120.400 0.386 0.000 2.375 180 K HA 0.667 4.987 4.320 0.001 0.000 0.249 180 K C -0.680 176.174 176.600 0.424 0.000 0.942 180 K CA -0.632 55.893 56.287 0.397 0.000 0.806 180 K CB 1.429 34.037 32.500 0.181 0.000 1.227 180 K HN 0.078 nan 8.250 nan 0.000 0.430 181 I N 5.626 126.410 120.570 0.356 0.000 2.498 181 I HA 0.413 4.584 4.170 0.001 0.000 0.290 181 I C -0.303 175.884 176.117 0.118 0.000 1.032 181 I CA -0.952 60.472 61.300 0.207 0.000 1.073 181 I CB 1.789 39.942 38.000 0.255 0.000 1.251 181 I HN 0.584 nan 8.210 nan 0.000 0.426 182 I N 2.298 122.831 120.570 -0.062 0.000 2.846 182 I HA 1.073 5.244 4.170 0.001 0.000 0.307 182 I C -0.239 175.616 176.117 -0.437 0.000 1.053 182 I CA -0.410 60.763 61.300 -0.212 0.000 1.050 182 I CB 2.417 40.209 38.000 -0.346 0.000 1.239 182 I HN 0.629 nan 8.210 nan 0.000 0.439 183 G N 2.299 110.667 108.800 -0.721 0.000 2.441 183 G HA2 0.509 4.469 3.960 0.001 0.000 0.294 183 G HA3 0.509 4.469 3.960 0.001 0.000 0.294 183 G C -2.164 172.254 174.900 -0.804 0.000 1.393 183 G CA -0.588 44.035 45.100 -0.796 0.000 0.796 183 G HN 1.035 nan 8.290 nan 0.000 0.494 184 Y N -1.566 118.585 120.300 -0.249 0.000 2.576 184 Y HA 0.879 5.429 4.550 0.001 0.000 0.346 184 Y C -0.256 175.674 175.900 0.051 0.000 1.018 184 Y CA -1.349 56.596 58.100 -0.257 0.000 1.050 184 Y CB 1.888 40.043 38.460 -0.508 0.000 1.280 184 Y HN 0.736 nan 8.280 nan 0.000 0.474 185 T N 0.188 114.939 114.554 0.328 0.000 2.887 185 T HA 0.483 4.834 4.350 0.001 0.000 0.288 185 T C 0.314 175.141 174.700 0.212 0.000 1.021 185 T CA 0.137 62.428 62.100 0.319 0.000 1.000 185 T CB 1.273 70.329 68.868 0.313 0.000 1.034 185 T HN 1.138 nan 8.240 nan 0.000 0.467 186 T N 1.122 115.845 114.554 0.283 0.000 2.975 186 T HA 0.305 4.655 4.350 0.001 0.000 0.261 186 T C 0.754 175.721 174.700 0.445 0.000 0.984 186 T CA -0.374 61.917 62.100 0.318 0.000 0.911 186 T CB -0.063 68.951 68.868 0.243 0.000 1.127 186 T HN 0.593 nan 8.240 nan 0.000 0.514 187 R N 2.592 123.305 120.500 0.355 0.000 2.502 187 R HA 0.265 4.605 4.340 0.001 0.000 0.292 187 R C -0.392 176.094 176.300 0.309 0.000 0.998 187 R CA 0.542 56.821 56.100 0.298 0.000 1.056 187 R CB 0.047 30.526 30.300 0.297 0.000 0.939 187 R HN 0.770 nan 8.270 nan 0.000 0.411 188 N N 0.182 119.003 118.700 0.203 0.000 2.902 188 N HA 0.215 4.955 4.740 0.001 0.000 0.268 188 N C -1.254 174.288 175.510 0.053 0.000 1.450 188 N CA -0.980 52.138 53.050 0.112 0.000 0.819 188 N CB 1.755 40.175 38.487 -0.110 0.000 1.540 188 N HN 0.208 nan 8.380 nan 0.000 0.545 189 S N -1.107 114.597 115.700 0.007 0.000 2.651 189 S HA 0.652 5.122 4.470 0.001 0.000 0.246 189 S C 0.349 174.912 174.600 -0.061 0.000 1.039 189 S CA -0.125 58.070 58.200 -0.007 0.000 1.013 189 S CB -0.493 62.713 63.200 0.010 0.000 0.861 189 S HN 1.115 nan 8.310 nan 0.000 0.485 190 G N 0.547 109.287 108.800 -0.101 0.000 2.655 190 G HA2 0.352 4.312 3.960 0.001 0.000 0.680 190 G HA3 0.352 4.312 3.960 0.001 0.000 0.680 190 G C 0.404 175.175 174.900 -0.215 0.000 1.302 190 G CA -0.390 44.635 45.100 -0.126 0.000 0.872 190 G HN 1.263 nan 8.290 nan 0.000 0.540 191 G N -2.455 106.229 108.800 -0.194 0.000 2.198 191 G HA2 0.260 4.220 3.960 0.001 0.000 0.260 191 G HA3 0.260 4.220 3.960 0.001 0.000 0.260 191 G C 0.861 175.538 174.900 -0.372 0.000 1.025 191 G CA 1.540 46.485 45.100 -0.258 0.000 0.769 191 G HN 2.443 nan 8.290 nan 0.000 0.507 192 V N -3.387 116.346 119.914 -0.302 0.000 2.864 192 V HA 0.935 5.055 4.120 0.001 0.000 0.314 192 V C -1.774 174.271 176.094 -0.083 0.000 1.073 192 V CA -2.706 59.423 62.300 -0.285 0.000 0.956 192 V CB 1.825 33.378 31.823 -0.450 0.000 1.023 192 V HN 0.073 nan 8.190 nan 0.000 0.435 193 P HA 0.303 nan 4.420 nan 0.000 0.272 193 P C 0.684 178.071 177.300 0.146 0.000 1.240 193 P CA -0.290 62.862 63.100 0.085 0.000 0.791 193 P CB 0.612 32.383 31.700 0.119 0.000 0.978 194 E N 1.238 121.506 120.200 0.115 0.000 2.209 194 E HA -0.163 4.187 4.350 0.001 0.000 0.196 194 E C 1.046 177.724 176.600 0.130 0.000 0.993 194 E CA 1.077 57.543 56.400 0.109 0.000 0.819 194 E CB -0.383 29.364 29.700 0.077 0.000 0.745 194 E HN 0.503 nan 8.360 nan 0.000 0.477 195 N N 0.298 119.093 118.700 0.159 0.000 2.362 195 N HA -0.111 4.630 4.740 0.001 0.000 0.204 195 N C 0.126 175.697 175.510 0.102 0.000 1.166 195 N CA -0.277 52.843 53.050 0.117 0.000 0.831 195 N CB -0.908 37.657 38.487 0.129 0.000 1.008 195 N HN -0.049 nan 8.380 nan 0.000 0.472 196 F N 2.318 122.300 119.950 0.054 0.000 2.571 196 F HA 0.188 4.715 4.527 0.001 0.000 0.384 196 F C -0.010 175.695 175.800 -0.157 0.000 1.058 196 F CA 0.139 58.138 58.000 -0.002 0.000 1.200 196 F CB 0.358 39.409 39.000 0.085 0.000 1.077 196 F HN -0.066 nan 8.300 nan 0.000 0.558 197 K N 5.259 124.963 120.400 -1.159 0.000 2.523 197 K HA 0.199 4.520 4.320 0.001 0.000 0.257 197 K C -1.405 174.475 176.600 -1.199 0.000 0.932 197 K CA -1.095 54.449 56.287 -1.237 0.000 0.812 197 K CB 1.982 33.647 32.500 -1.392 0.000 1.326 197 K HN 0.623 nan 8.250 nan 0.000 0.433 198 N N 2.719 120.892 118.700 -0.879 0.000 2.446 198 N HA 0.228 4.968 4.740 0.001 0.000 0.265 198 N C -1.416 173.832 175.510 -0.438 0.000 0.975 198 N CA -0.337 52.359 53.050 -0.590 0.000 0.928 198 N CB 0.687 38.981 38.487 -0.322 0.000 1.160 198 N HN 0.413 nan 8.380 nan 0.000 0.495 199 Y N 3.817 123.902 120.300 -0.358 0.000 2.327 199 Y HA 0.345 4.896 4.550 0.001 0.000 0.336 199 Y C 0.115 175.940 175.900 -0.124 0.000 1.035 199 Y CA -0.715 57.133 58.100 -0.421 0.000 1.165 199 Y CB 0.525 38.510 38.460 -0.792 0.000 1.181 199 Y HN 0.313 nan 8.280 nan 0.000 0.494 200 F N 1.273 121.258 119.950 0.059 0.000 2.577 200 F HA 0.911 5.439 4.527 0.001 0.000 0.318 200 F C -1.459 174.445 175.800 0.174 0.000 1.065 200 F CA -1.911 56.108 58.000 0.032 0.000 0.929 200 F CB 1.294 40.047 39.000 -0.412 0.000 1.237 200 F HN 0.213 nan 8.300 nan 0.000 0.468 201 I N 3.452 124.245 120.570 0.372 0.000 2.533 201 I HA 0.480 4.650 4.170 0.001 0.000 0.290 201 I C -1.151 175.134 176.117 0.279 0.000 1.056 201 I CA -0.701 60.758 61.300 0.264 0.000 1.057 201 I CB 2.345 40.465 38.000 0.200 0.000 1.240 201 I HN 0.580 nan 8.210 nan 0.000 0.423 202 I N 5.303 126.016 120.570 0.238 0.000 2.447 202 I HA 0.364 4.535 4.170 0.001 0.000 0.287 202 I C -0.638 175.529 176.117 0.084 0.000 1.023 202 I CA -0.430 60.954 61.300 0.139 0.000 1.083 202 I CB 1.871 39.968 38.000 0.163 0.000 1.245 202 I HN 0.520 nan 8.210 nan 0.000 0.434 203 E N 5.800 125.986 120.200 -0.024 0.000 2.165 203 E HA 0.490 4.841 4.350 0.001 0.000 0.266 203 E C -1.344 175.227 176.600 -0.048 0.000 0.889 203 E CA -0.579 55.850 56.400 0.048 0.000 0.756 203 E CB 1.945 31.682 29.700 0.062 0.000 1.131 203 E HN 0.284 nan 8.360 nan 0.000 0.411 204 F N 1.695 121.779 119.950 0.224 0.000 2.399 204 F HA 0.141 4.668 4.527 0.001 0.000 0.328 204 F C 1.393 177.264 175.800 0.119 0.000 1.084 204 F CA -0.637 57.508 58.000 0.242 0.000 1.053 204 F CB 0.981 40.233 39.000 0.418 0.000 1.209 204 F HN 0.451 nan 8.300 nan 0.000 0.502 205 D N 0.048 120.624 120.400 0.293 0.000 2.342 205 D HA 0.034 4.674 4.640 0.001 0.000 0.221 205 D C -0.064 176.289 176.300 0.089 0.000 1.101 205 D CA 0.128 54.213 54.000 0.141 0.000 0.837 205 D CB 0.103 40.960 40.800 0.096 0.000 0.938 205 D HN 0.288 nan 8.370 nan 0.000 0.508 206 K N 0.913 121.387 120.400 0.124 0.000 2.443 206 K HA 0.406 4.726 4.320 0.001 0.000 0.252 206 K C -3.003 173.606 176.600 0.015 0.000 0.933 206 K CA -2.100 54.181 56.287 -0.011 0.000 0.792 206 K CB 2.367 34.725 32.500 -0.237 0.000 1.185 206 K HN -0.193 nan 8.250 nan 0.000 0.425 207 P HA 0.068 nan 4.420 nan 0.000 0.269 207 P C -0.842 176.520 177.300 0.104 0.000 1.209 207 P CA -0.094 62.931 63.100 -0.126 0.000 0.776 207 P CB 0.211 31.869 31.700 -0.070 0.000 0.876 208 F N 0.439 120.451 119.950 0.104 0.000 2.438 208 F HA 0.204 4.731 4.527 0.001 0.000 0.356 208 F C 1.688 177.516 175.800 0.047 0.000 1.099 208 F CA -0.110 57.922 58.000 0.054 0.000 1.185 208 F CB -0.381 38.596 39.000 -0.039 0.000 1.115 208 F HN 0.197 nan 8.300 nan 0.000 0.526 209 T N 1.671 116.372 114.554 0.245 0.000 3.022 209 T HA 0.032 4.382 4.350 0.001 0.000 0.250 209 T C -0.702 174.101 174.700 0.172 0.000 1.060 209 T CA 0.423 62.620 62.100 0.161 0.000 1.013 209 T CB -0.287 68.660 68.868 0.131 0.000 0.982 209 T HN 0.473 nan 8.240 nan 0.000 0.508 210 Y N 2.638 122.945 120.300 0.010 0.000 2.457 210 Y HA 0.550 5.100 4.550 0.001 0.000 0.343 210 Y C -1.441 174.413 175.900 -0.075 0.000 0.994 210 Y CA -1.479 56.615 58.100 -0.010 0.000 1.031 210 Y CB 1.224 39.704 38.460 0.033 0.000 1.246 210 Y HN -0.034 nan 8.280 nan 0.000 0.449 211 K N 4.326 124.307 120.400 -0.699 0.000 2.523 211 K HA 0.975 5.296 4.320 0.001 0.000 0.257 211 K C -2.111 174.070 176.600 -0.698 0.000 0.932 211 K CA -1.089 54.853 56.287 -0.574 0.000 0.812 211 K CB 2.249 34.574 32.500 -0.291 0.000 1.326 211 K HN 0.835 nan 8.250 nan 0.000 0.433 212 A N 1.114 123.655 122.820 -0.465 0.000 2.566 212 A HA 0.654 4.974 4.320 0.001 0.000 0.297 212 A C -0.865 176.581 177.584 -0.230 0.000 1.059 212 A CA -0.672 51.166 52.037 -0.332 0.000 0.691 212 A CB 1.581 20.409 19.000 -0.286 0.000 1.282 212 A HN 0.846 nan 8.150 nan 0.000 0.401 213 T N -1.177 113.248 114.554 -0.216 0.000 2.952 213 T HA 0.794 5.144 4.350 0.001 0.000 0.286 213 T C -0.395 174.146 174.700 -0.265 0.000 1.024 213 T CA -0.732 61.232 62.100 -0.226 0.000 1.029 213 T CB 1.470 70.213 68.868 -0.208 0.000 1.094 213 T HN 1.068 nan 8.240 nan 0.000 0.515 214 V N 1.406 121.102 119.914 -0.363 0.000 2.604 214 V HA 0.661 4.781 4.120 0.001 0.000 0.305 214 V C -0.387 175.480 176.094 -0.377 0.000 1.043 214 V CA -0.736 61.281 62.300 -0.472 0.000 0.888 214 V CB 1.569 32.816 31.823 -0.959 0.000 0.995 214 V HN 1.053 nan 8.190 nan 0.000 0.429 215 E N 4.332 124.368 120.200 -0.273 0.000 2.373 215 E HA 0.254 4.604 4.350 0.001 0.000 0.251 215 E C -0.853 175.670 176.600 -0.129 0.000 0.923 215 E CA -0.638 55.663 56.400 -0.166 0.000 0.798 215 E CB 0.854 30.486 29.700 -0.112 0.000 1.303 215 E HN 0.720 nan 8.360 nan 0.000 0.412 216 N N 3.496 122.135 118.700 -0.102 0.000 2.642 216 N HA -0.239 4.501 4.740 0.001 0.000 0.269 216 N C 0.791 176.265 175.510 -0.060 0.000 1.073 216 N CA 1.709 54.736 53.050 -0.039 0.000 0.748 216 N CB -1.369 37.121 38.487 0.004 0.000 0.894 216 N HN 0.997 nan 8.380 nan 0.000 0.548 217 G N -0.577 108.162 108.800 -0.103 0.000 2.458 217 G HA2 -0.399 3.562 3.960 0.001 0.000 0.237 217 G HA3 -0.399 3.562 3.960 0.001 0.000 0.237 217 G C 0.210 175.054 174.900 -0.093 0.000 1.113 217 G CA 0.347 45.413 45.100 -0.057 0.000 0.655 217 G HN 0.581 nan 8.290 nan 0.000 0.513 218 N N 1.187 119.823 118.700 -0.107 0.000 2.452 218 N HA 0.341 5.081 4.740 0.001 0.000 0.266 218 N C -0.066 175.355 175.510 -0.148 0.000 1.209 218 N CA -0.026 52.962 53.050 -0.104 0.000 0.929 218 N CB 1.171 39.608 38.487 -0.084 0.000 1.063 218 N HN 0.423 nan 8.380 nan 0.000 0.472 219 L N 3.365 124.516 121.223 -0.119 0.000 2.315 219 L HA 0.136 4.477 4.340 0.001 0.000 0.283 219 L C -0.041 176.763 176.870 -0.110 0.000 1.089 219 L CA 0.251 55.016 54.840 -0.125 0.000 0.833 219 L CB 0.265 42.275 42.059 -0.082 0.000 1.170 219 L HN 0.393 nan 8.230 nan 0.000 0.442 220 Q N 5.006 124.725 119.800 -0.135 0.000 2.571 220 Q HA 0.214 4.554 4.340 0.001 0.000 0.243 220 Q C -0.597 175.315 176.000 -0.147 0.000 1.055 220 Q CA -0.346 55.384 55.803 -0.121 0.000 0.815 220 Q CB 1.193 29.862 28.738 -0.116 0.000 1.151 220 Q HN 0.615 nan 8.270 nan 0.000 0.519 221 E N 2.387 122.499 120.200 -0.147 0.000 2.452 221 E HA -0.124 4.226 4.350 0.001 0.000 0.261 221 E C 0.072 176.557 176.600 -0.193 0.000 0.987 221 E CA 0.343 56.610 56.400 -0.222 0.000 0.926 221 E CB 0.325 29.911 29.700 -0.189 0.000 0.934 221 E HN 0.471 nan 8.360 nan 0.000 0.452 222 N N 1.119 119.678 118.700 -0.235 0.000 2.900 222 N HA -0.189 4.551 4.740 0.001 0.000 0.240 222 N C -0.910 174.526 175.510 -0.123 0.000 0.953 222 N CA 0.982 53.933 53.050 -0.165 0.000 0.950 222 N CB -1.216 37.197 38.487 -0.123 0.000 1.102 222 N HN 0.202 nan 8.380 nan 0.000 0.593 223 V N 1.055 120.892 119.914 -0.130 0.000 2.427 223 V HA 0.434 4.554 4.120 0.001 0.000 0.268 223 V C 1.575 177.598 176.094 -0.119 0.000 1.046 223 V CA 0.468 62.704 62.300 -0.107 0.000 0.970 223 V CB 1.269 33.031 31.823 -0.102 0.000 1.001 223 V HN 0.351 nan 8.190 nan 0.000 0.476 224 A N 4.209 126.971 122.820 -0.097 0.000 2.169 224 A HA 0.181 4.502 4.320 0.001 0.000 0.212 224 A C 0.810 178.320 177.584 -0.124 0.000 1.153 224 A CA 0.505 52.482 52.037 -0.099 0.000 0.756 224 A CB 0.046 19.008 19.000 -0.065 0.000 0.813 224 A HN 0.801 nan 8.150 nan 0.000 0.471 225 E N -0.286 119.841 120.200 -0.120 0.000 2.352 225 E HA 0.387 4.737 4.350 0.001 0.000 0.280 225 E C -1.737 174.792 176.600 -0.118 0.000 0.930 225 E CA -0.636 55.679 56.400 -0.142 0.000 0.765 225 E CB 0.991 30.658 29.700 -0.054 0.000 1.219 225 E HN 0.189 nan 8.360 nan 0.000 0.434 226 Q N 1.614 121.316 119.800 -0.163 0.000 2.331 226 Q HA 0.418 4.758 4.340 0.001 0.000 0.272 226 Q C -1.350 174.657 176.000 0.012 0.000 1.062 226 Q CA -0.688 55.066 55.803 -0.083 0.000 0.806 226 Q CB 2.449 31.113 28.738 -0.122 0.000 1.312 226 Q HN 0.520 nan 8.270 nan 0.000 0.431 227 T N 1.447 116.052 114.554 0.085 0.000 2.864 227 T HA 0.646 4.996 4.350 0.001 0.000 0.310 227 T C -0.377 174.370 174.700 0.078 0.000 1.040 227 T CA -0.353 61.827 62.100 0.133 0.000 0.977 227 T CB 1.292 70.256 68.868 0.160 0.000 0.976 227 T HN 0.561 nan 8.240 nan 0.000 0.459 228 T N 1.047 115.646 114.554 0.075 0.000 2.700 228 T HA 0.250 4.601 4.350 0.001 0.000 0.307 228 T C 0.423 175.183 174.700 0.099 0.000 1.580 228 T CA -0.395 61.745 62.100 0.068 0.000 0.992 228 T CB 1.676 70.562 68.868 0.031 0.000 1.577 228 T HN 0.484 nan 8.240 nan 0.000 0.496 229 D N 0.287 120.749 120.400 0.102 0.000 2.104 229 D HA -0.108 4.532 4.640 0.001 0.000 0.194 229 D C 0.696 177.109 176.300 0.189 0.000 0.994 229 D CA 1.746 55.822 54.000 0.128 0.000 0.830 229 D CB -0.015 40.850 40.800 0.108 0.000 0.959 229 D HN 0.559 nan 8.370 nan 0.000 0.452 230 H N -0.770 118.339 119.070 0.065 0.000 2.716 230 H HA 0.579 5.135 4.556 0.001 0.000 0.260 230 H C -1.249 174.097 175.328 0.030 0.000 1.280 230 H CA -0.902 55.202 56.048 0.093 0.000 1.506 230 H CB 0.613 30.439 29.762 0.107 0.000 1.514 230 H HN 0.179 nan 8.280 nan 0.000 0.502 231 A N 3.197 126.149 122.820 0.220 0.000 2.354 231 A HA 0.687 5.008 4.320 0.001 0.000 0.269 231 A C 0.294 177.880 177.584 0.003 0.000 1.109 231 A CA 0.233 52.279 52.037 0.014 0.000 0.800 231 A CB 0.868 19.859 19.000 -0.016 0.000 1.045 231 A HN 0.748 nan 8.150 nan 0.000 0.489 232 G N -1.004 107.643 108.800 -0.256 0.000 2.677 232 G HA2 0.773 4.733 3.960 0.001 0.000 0.291 232 G HA3 0.773 4.733 3.960 0.001 0.000 0.291 232 G C -1.041 173.712 174.900 -0.244 0.000 1.435 232 G CA 0.135 45.078 45.100 -0.262 0.000 0.826 232 G HN 1.713 nan 8.290 nan 0.000 0.491 233 A N 0.027 122.821 122.820 -0.043 0.000 2.475 233 A HA 0.862 5.183 4.320 0.001 0.000 0.301 233 A C -1.119 176.462 177.584 -0.005 0.000 1.059 233 A CA -0.602 51.390 52.037 -0.074 0.000 0.710 233 A CB 1.332 20.293 19.000 -0.066 0.000 1.288 233 A HN 0.772 nan 8.150 nan 0.000 0.408 234 I N 2.528 123.061 120.570 -0.062 0.000 2.478 234 I HA 0.425 4.595 4.170 0.001 0.000 0.287 234 I C -0.890 175.184 176.117 -0.073 0.000 1.042 234 I CA -0.620 60.666 61.300 -0.023 0.000 1.067 234 I CB 1.756 39.767 38.000 0.018 0.000 1.233 234 I HN 0.697 nan 8.210 nan 0.000 0.431 235 I N 2.912 123.346 120.570 -0.226 0.000 2.797 235 I HA 1.064 5.235 4.170 0.001 0.000 0.307 235 I C 0.115 176.023 176.117 -0.350 0.000 1.033 235 I CA -0.319 60.725 61.300 -0.427 0.000 1.071 235 I CB 1.980 39.254 38.000 -1.209 0.000 1.255 235 I HN 0.549 nan 8.210 nan 0.000 0.445 236 G N 2.135 110.698 108.800 -0.396 0.000 2.649 236 G HA2 0.833 4.794 3.960 0.001 0.000 0.290 236 G HA3 0.833 4.794 3.960 0.001 0.000 0.290 236 G C -1.483 172.953 174.900 -0.774 0.000 1.426 236 G CA -0.814 43.781 45.100 -0.841 0.000 0.794 236 G HN 0.969 nan 8.290 nan 0.000 0.483 237 F N -2.317 117.444 119.950 -0.315 0.000 2.858 237 F HA 0.638 5.165 4.527 0.001 0.000 0.319 237 F C -0.586 175.022 175.800 -0.319 0.000 1.166 237 F CA -1.575 56.288 58.000 -0.229 0.000 0.899 237 F CB 1.352 40.252 39.000 -0.167 0.000 1.332 237 F HN 0.352 nan 8.300 nan 0.000 0.461 238 K N 1.107 121.541 120.400 0.058 0.000 2.174 238 K HA 0.600 4.920 4.320 0.001 0.000 0.275 238 K C -0.704 175.842 176.600 -0.090 0.000 1.015 238 K CA -0.379 55.867 56.287 -0.068 0.000 0.933 238 K CB 1.784 34.238 32.500 -0.076 0.000 1.025 238 K HN 0.803 nan 8.250 nan 0.000 0.463 239 T N -0.028 114.462 114.554 -0.107 0.000 2.893 239 T HA 0.448 4.798 4.350 0.001 0.000 0.293 239 T C -0.113 174.569 174.700 -0.030 0.000 1.027 239 T CA -1.109 60.934 62.100 -0.096 0.000 0.988 239 T CB 1.649 70.455 68.868 -0.104 0.000 1.043 239 T HN 0.433 nan 8.240 nan 0.000 0.461 240 R N 0.779 121.271 120.500 -0.013 0.000 2.583 240 R HA 0.385 4.725 4.340 0.001 0.000 0.268 240 R C 0.358 176.690 176.300 0.053 0.000 1.101 240 R CA -0.944 55.164 56.100 0.013 0.000 1.180 240 R CB 0.648 30.951 30.300 0.005 0.000 1.128 240 R HN 0.654 nan 8.270 nan 0.000 0.568 241 K N 0.730 121.163 120.400 0.053 0.000 2.453 241 K HA -0.049 4.271 4.320 0.001 0.000 0.280 241 K C 0.466 177.113 176.600 0.079 0.000 1.045 241 K CA 1.166 57.497 56.287 0.074 0.000 1.059 241 K CB 0.122 32.656 32.500 0.057 0.000 0.901 241 K HN 0.799 nan 8.250 nan 0.000 0.475 242 G N 2.959 111.824 108.800 0.108 0.000 2.148 242 G HA2 -0.332 3.628 3.960 0.001 0.000 0.254 242 G HA3 -0.332 3.628 3.960 0.001 0.000 0.254 242 G C -0.050 174.916 174.900 0.109 0.000 0.981 242 G CA 0.538 45.699 45.100 0.103 0.000 0.670 242 G HN 0.753 nan 8.290 nan 0.000 0.528 243 E N 0.671 120.947 120.200 0.126 0.000 2.376 243 E HA 0.365 4.715 4.350 0.001 0.000 0.266 243 E C 0.498 177.206 176.600 0.180 0.000 1.009 243 E CA 0.002 56.469 56.400 0.112 0.000 0.902 243 E CB 0.206 29.944 29.700 0.064 0.000 0.972 243 E HN 0.534 nan 8.360 nan 0.000 0.439 244 Q N 2.699 122.577 119.800 0.130 0.000 2.290 244 Q HA 0.407 4.747 4.340 0.001 0.000 0.259 244 Q C -1.114 174.986 176.000 0.167 0.000 0.941 244 Q CA -0.844 55.054 55.803 0.160 0.000 0.912 244 Q CB 2.240 31.035 28.738 0.096 0.000 1.244 244 Q HN 0.319 nan 8.270 nan 0.000 0.441 245 V N 3.239 123.331 119.914 0.297 0.000 2.448 245 V HA 0.327 4.448 4.120 0.001 0.000 0.295 245 V C -0.336 175.964 176.094 0.344 0.000 1.025 245 V CA -0.879 61.617 62.300 0.327 0.000 0.859 245 V CB 1.699 33.800 31.823 0.463 0.000 0.988 245 V HN 0.758 nan 8.190 nan 0.000 0.431 246 N N 2.999 121.843 118.700 0.239 0.000 2.399 246 N HA 0.710 5.450 4.740 0.001 0.000 0.295 246 N C -0.551 175.041 175.510 0.136 0.000 1.048 246 N CA -0.305 52.822 53.050 0.127 0.000 0.886 246 N CB 2.488 41.006 38.487 0.052 0.000 1.185 246 N HN 0.773 nan 8.380 nan 0.000 0.487 247 A N 2.597 125.428 122.820 0.019 0.000 2.311 247 A HA 0.444 4.764 4.320 0.001 0.000 0.306 247 A C -0.218 177.314 177.584 -0.086 0.000 1.189 247 A CA -0.726 51.214 52.037 -0.161 0.000 0.791 247 A CB 0.675 19.516 19.000 -0.265 0.000 1.172 247 A HN 0.595 nan 8.150 nan 0.000 0.481 248 R N 1.927 122.378 120.500 -0.082 0.000 2.234 248 R HA 0.586 4.927 4.340 0.001 0.000 0.324 248 R C -0.862 175.452 176.300 0.023 0.000 1.054 248 R CA 0.199 56.288 56.100 -0.017 0.000 0.912 248 R CB 0.837 31.142 30.300 0.007 0.000 1.030 248 R HN 0.670 nan 8.270 nan 0.000 0.455 249 I N 1.830 122.442 120.570 0.071 0.000 2.545 249 I HA 0.651 4.821 4.170 0.001 0.000 0.292 249 I C -0.396 175.868 176.117 0.245 0.000 1.040 249 I CA -0.855 60.559 61.300 0.190 0.000 1.068 249 I CB 2.178 40.322 38.000 0.241 0.000 1.251 249 I HN 0.642 nan 8.210 nan 0.000 0.424 250 A N 3.779 126.789 122.820 0.316 0.000 2.587 250 A HA 0.885 5.206 4.320 0.001 0.000 0.293 250 A C -0.804 176.997 177.584 0.362 0.000 1.087 250 A CA -0.492 51.736 52.037 0.317 0.000 0.692 250 A CB 2.106 21.230 19.000 0.206 0.000 1.291 250 A HN 0.723 nan 8.150 nan 0.000 0.407 251 S N -0.162 115.717 115.700 0.298 0.000 2.667 251 S HA 0.908 5.378 4.470 0.001 0.000 0.292 251 S C -0.486 174.126 174.600 0.020 0.000 1.126 251 S CA -0.066 58.256 58.200 0.204 0.000 0.881 251 S CB 1.712 65.066 63.200 0.258 0.000 1.132 251 S HN 2.028 nan 8.310 nan 0.000 0.492 252 S N -0.462 115.185 115.700 -0.087 0.000 2.556 252 S HA 0.652 5.122 4.470 0.001 0.000 0.271 252 S C -1.019 173.419 174.600 -0.270 0.000 1.135 252 S CA -0.745 57.366 58.200 -0.148 0.000 0.858 252 S CB 0.810 63.979 63.200 -0.052 0.000 1.114 252 S HN 0.639 nan 8.310 nan 0.000 0.468 253 F N 2.249 122.155 119.950 -0.073 0.000 2.765 253 F HA 0.416 4.944 4.527 0.001 0.000 0.302 253 F C 1.233 176.942 175.800 -0.152 0.000 1.111 253 F CA 0.066 57.957 58.000 -0.182 0.000 1.359 253 F CB 0.139 38.989 39.000 -0.250 0.000 1.097 253 F HN 0.433 nan 8.300 nan 0.000 0.577 254 I N -1.725 118.875 120.570 0.051 0.000 3.132 254 I HA 0.098 4.268 4.170 0.001 0.000 0.255 254 I C 0.624 176.502 176.117 -0.399 0.000 1.118 254 I CA 0.294 61.569 61.300 -0.043 0.000 1.463 254 I CB 0.227 38.232 38.000 0.007 0.000 1.356 254 I HN -0.003 nan 8.210 nan 0.000 0.463 255 S N -1.511 113.798 115.700 -0.651 0.000 2.595 255 S HA 0.324 4.794 4.470 0.001 0.000 0.270 255 S C -0.009 174.147 174.600 -0.740 0.000 1.145 255 S CA -0.693 56.865 58.200 -1.069 0.000 0.825 255 S CB 0.586 63.495 63.200 -0.485 0.000 1.107 255 S HN 0.040 nan 8.310 nan 0.000 0.461 256 F N 1.287 120.909 119.950 -0.547 0.000 2.126 256 F HA 0.048 4.576 4.527 0.001 0.000 0.299 256 F C 2.648 178.378 175.800 -0.117 0.000 1.096 256 F CA 1.940 59.828 58.000 -0.187 0.000 1.255 256 F CB -0.468 38.478 39.000 -0.089 0.000 0.997 256 F HN 0.919 nan 8.300 nan 0.000 0.479 257 E N -0.134 120.096 120.200 0.050 0.000 2.085 257 E HA -0.311 4.040 4.350 0.001 0.000 0.194 257 E C 2.193 178.798 176.600 0.008 0.000 0.994 257 E CA 1.327 57.742 56.400 0.024 0.000 0.801 257 E CB -0.110 29.587 29.700 -0.005 0.000 0.743 257 E HN 0.281 nan 8.360 nan 0.000 0.453 258 Q N 0.205 119.982 119.800 -0.038 0.000 2.167 258 Q HA -0.050 4.290 4.340 0.001 0.000 0.202 258 Q C 1.738 177.748 176.000 0.016 0.000 0.970 258 Q CA 1.624 57.417 55.803 -0.017 0.000 0.855 258 Q CB -0.300 28.413 28.738 -0.042 0.000 0.911 258 Q HN 0.331 nan 8.270 nan 0.000 0.438 259 A N 0.091 122.925 122.820 0.023 0.000 1.930 259 A HA 0.015 4.336 4.320 0.001 0.000 0.217 259 A C 2.250 179.897 177.584 0.105 0.000 1.175 259 A CA 1.602 53.688 52.037 0.081 0.000 0.627 259 A CB -0.996 18.082 19.000 0.131 0.000 0.815 259 A HN 0.493 nan 8.150 nan 0.000 0.443 260 A N -0.175 122.704 122.820 0.098 0.000 1.930 260 A HA 0.226 4.547 4.320 0.001 0.000 0.217 260 A C 2.455 180.080 177.584 0.068 0.000 1.175 260 A CA 1.810 53.898 52.037 0.086 0.000 0.627 260 A CB -0.864 18.180 19.000 0.074 0.000 0.815 260 A HN 0.967 nan 8.150 nan 0.000 0.443 261 A N 0.561 123.415 122.820 0.057 0.000 1.902 261 A HA -0.189 4.131 4.320 0.001 0.000 0.217 261 A C 1.856 179.477 177.584 0.061 0.000 1.181 261 A CA 1.781 53.849 52.037 0.052 0.000 0.623 261 A CB -0.627 18.399 19.000 0.043 0.000 0.818 261 A HN 0.525 nan 8.150 nan 0.000 0.443 262 N N -0.771 117.970 118.700 0.068 0.000 2.223 262 N HA -0.163 4.577 4.740 0.001 0.000 0.185 262 N C 1.487 177.050 175.510 0.089 0.000 1.016 262 N CA 1.668 54.765 53.050 0.079 0.000 0.863 262 N CB -0.500 38.037 38.487 0.084 0.000 0.983 262 N HN 0.516 nan 8.380 nan 0.000 0.429 263 M N 1.193 120.848 119.600 0.093 0.000 2.195 263 M HA -0.068 4.412 4.480 0.001 0.000 0.260 263 M C 0.924 177.266 176.300 0.069 0.000 1.066 263 M CA 1.302 56.656 55.300 0.089 0.000 1.089 263 M CB -0.225 32.429 32.600 0.090 0.000 1.377 263 M HN 0.030 nan 8.290 nan 0.000 0.411 264 N N 0.293 119.031 118.700 0.062 0.000 2.453 264 N HA -0.139 4.602 4.740 0.001 0.000 0.183 264 N C 1.260 176.801 175.510 0.052 0.000 1.041 264 N CA 1.052 54.134 53.050 0.052 0.000 0.900 264 N CB -0.301 38.215 38.487 0.048 0.000 0.961 264 N HN 0.612 nan 8.380 nan 0.000 0.443 265 E N 0.485 120.721 120.200 0.060 0.000 2.209 265 E HA -0.108 4.242 4.350 0.001 0.000 0.196 265 E C 1.580 178.210 176.600 0.050 0.000 0.993 265 E CA 0.572 57.008 56.400 0.060 0.000 0.819 265 E CB -0.033 29.711 29.700 0.073 0.000 0.745 265 E HN 0.384 nan 8.360 nan 0.000 0.477 266 L N -0.352 120.898 121.223 0.045 0.000 2.313 266 L HA 0.039 4.380 4.340 0.001 0.000 0.214 266 L C 1.645 178.531 176.870 0.026 0.000 1.119 266 L CA 0.306 55.164 54.840 0.031 0.000 0.809 266 L CB -0.839 41.234 42.059 0.025 0.000 0.933 266 L HN 0.238 nan 8.230 nan 0.000 0.449 267 G N 1.111 109.929 108.800 0.030 0.000 2.634 267 G HA2 -0.404 3.556 3.960 0.001 0.000 0.309 267 G HA3 -0.404 3.556 3.960 0.001 0.000 0.309 267 G C 0.608 175.520 174.900 0.021 0.000 1.265 267 G CA 0.664 45.780 45.100 0.025 0.000 0.998 267 G HN 0.366 nan 8.290 nan 0.000 0.551 268 K N 1.090 121.500 120.400 0.016 0.000 2.440 268 K HA 0.206 4.527 4.320 0.001 0.000 0.206 268 K C -0.405 176.200 176.600 0.008 0.000 1.025 268 K CA -0.164 56.131 56.287 0.013 0.000 1.135 268 K CB 0.364 32.871 32.500 0.012 0.000 0.856 268 K HN 0.409 nan 8.250 nan 0.000 0.502 269 D N 2.551 122.955 120.400 0.007 0.000 2.423 269 D HA -0.037 4.603 4.640 0.001 0.000 0.238 269 D C 0.198 176.496 176.300 -0.003 0.000 1.142 269 D CA 0.290 54.291 54.000 0.002 0.000 0.884 269 D CB 0.583 41.385 40.800 0.003 0.000 1.199 269 D HN 0.226 nan 8.370 nan 0.000 0.438 270 N N 0.952 119.649 118.700 -0.005 0.000 2.448 270 N HA 0.110 4.851 4.740 0.001 0.000 0.274 270 N C 1.117 176.621 175.510 -0.010 0.000 1.239 270 N CA -0.594 52.451 53.050 -0.008 0.000 0.982 270 N CB 0.683 39.166 38.487 -0.006 0.000 1.199 270 N HN 0.145 nan 8.380 nan 0.000 0.576 271 I N -0.365 120.199 120.570 -0.009 0.000 2.194 271 I HA -0.235 3.935 4.170 0.001 0.000 0.246 271 I C 1.668 177.795 176.117 0.018 0.000 1.093 271 I CA 1.675 62.981 61.300 0.011 0.000 1.355 271 I CB -1.089 36.930 38.000 0.032 0.000 1.046 271 I HN 0.578 nan 8.210 nan 0.000 0.413 272 E N 0.705 120.898 120.200 -0.012 0.000 2.051 272 E HA -0.219 4.131 4.350 0.001 0.000 0.192 272 E C 2.244 178.823 176.600 -0.036 0.000 0.991 272 E CA 1.191 57.566 56.400 -0.042 0.000 0.799 272 E CB -0.296 29.375 29.700 -0.047 0.000 0.748 272 E HN 0.532 nan 8.360 nan 0.000 0.449 273 Q N -0.226 119.561 119.800 -0.022 0.000 2.079 273 Q HA -0.052 4.289 4.340 0.001 0.000 0.200 273 Q C 2.257 178.251 176.000 -0.009 0.000 0.974 273 Q CA 0.952 56.743 55.803 -0.020 0.000 0.840 273 Q CB -0.096 28.634 28.738 -0.013 0.000 0.898 273 Q HN 0.263 nan 8.270 nan 0.000 0.430 274 L N 0.090 121.318 121.223 0.007 0.000 2.109 274 L HA -0.126 4.214 4.340 0.001 0.000 0.207 274 L C 2.500 179.405 176.870 0.060 0.000 1.086 274 L CA 0.735 55.591 54.840 0.027 0.000 0.760 274 L CB -0.557 41.515 42.059 0.021 0.000 0.910 274 L HN 0.218 nan 8.230 nan 0.000 0.437 275 A N -0.259 122.608 122.820 0.079 0.000 1.917 275 A HA -0.320 4.001 4.320 0.001 0.000 0.219 275 A C 2.215 179.768 177.584 -0.051 0.000 1.182 275 A CA 2.153 54.277 52.037 0.146 0.000 0.633 275 A CB -0.551 18.505 19.000 0.093 0.000 0.819 275 A HN 0.402 nan 8.150 nan 0.000 0.448 276 Q N -0.114 119.631 119.800 -0.093 0.000 2.119 276 Q HA -0.090 4.251 4.340 0.001 0.000 0.201 276 Q C 1.917 177.842 176.000 -0.125 0.000 0.972 276 Q CA 2.095 57.806 55.803 -0.155 0.000 0.847 276 Q CB -0.247 28.428 28.738 -0.106 0.000 0.903 276 Q HN 0.693 nan 8.270 nan 0.000 0.433 277 K N -1.195 119.174 120.400 -0.053 0.000 2.097 277 K HA -0.010 4.310 4.320 0.001 0.000 0.205 277 K C 1.971 178.572 176.600 0.001 0.000 1.050 277 K CA 1.050 57.325 56.287 -0.021 0.000 0.938 277 K CB -0.355 32.149 32.500 0.006 0.000 0.718 277 K HN 0.361 nan 8.250 nan 0.000 0.442 278 G N 1.711 110.538 108.800 0.045 0.000 2.408 278 G HA2 -0.267 3.693 3.960 0.001 0.000 0.217 278 G HA3 -0.267 3.693 3.960 0.001 0.000 0.217 278 G C 1.424 176.413 174.900 0.149 0.000 1.150 278 G CA 0.610 45.809 45.100 0.165 0.000 0.776 278 G HN 0.206 nan 8.290 nan 0.000 0.542 279 K N 0.309 120.575 120.400 -0.223 0.000 2.025 279 K HA -0.113 4.207 4.320 0.001 0.000 0.207 279 K C 1.984 178.513 176.600 -0.118 0.000 1.049 279 K CA 1.548 57.537 56.287 -0.497 0.000 0.933 279 K CB -0.133 31.736 32.500 -1.052 0.000 0.714 279 K HN 0.090 nan 8.250 nan 0.000 0.438 280 D N 0.584 120.923 120.400 -0.101 0.000 2.123 280 D HA -0.153 4.487 4.640 0.001 0.000 0.196 280 D C 1.801 178.112 176.300 0.018 0.000 0.992 280 D CA 1.438 55.419 54.000 -0.032 0.000 0.833 280 D CB -0.322 40.456 40.800 -0.038 0.000 0.954 280 D HN 0.365 nan 8.370 nan 0.000 0.455 281 A N 0.085 122.908 122.820 0.006 0.000 1.908 281 A HA -0.176 4.145 4.320 0.001 0.000 0.218 281 A C 2.194 179.719 177.584 -0.100 0.000 1.181 281 A CA 1.348 53.351 52.037 -0.057 0.000 0.627 281 A CB -1.215 17.717 19.000 -0.114 0.000 0.818 281 A HN 0.314 nan 8.150 nan 0.000 0.445 282 W N 0.147 121.474 121.300 0.045 0.000 2.381 282 W HA -0.092 4.568 4.660 0.001 0.000 0.301 282 W C 2.211 178.788 176.519 0.095 0.000 1.205 282 W CA 1.003 58.389 57.345 0.069 0.000 1.285 282 W CB -0.228 29.296 29.460 0.106 0.000 1.133 282 W HN 0.301 nan 8.180 nan 0.000 0.521 283 N N 0.282 119.154 118.700 0.287 0.000 2.223 283 N HA -0.206 4.535 4.740 0.001 0.000 0.185 283 N C 1.583 177.229 175.510 0.228 0.000 1.016 283 N CA 1.640 54.844 53.050 0.256 0.000 0.863 283 N CB -0.693 37.885 38.487 0.151 0.000 0.983 283 N HN 0.302 nan 8.380 nan 0.000 0.429 284 Q N 1.072 120.963 119.800 0.152 0.000 2.084 284 Q HA -0.107 4.234 4.340 0.001 0.000 0.202 284 Q C 1.895 178.003 176.000 0.180 0.000 0.978 284 Q CA 1.873 57.754 55.803 0.131 0.000 0.844 284 Q CB -0.020 28.768 28.738 0.082 0.000 0.898 284 Q HN 0.285 nan 8.270 nan 0.000 0.426 285 V N -1.921 118.098 119.914 0.175 0.000 2.379 285 V HA -0.066 4.055 4.120 0.001 0.000 0.243 285 V C 2.271 178.567 176.094 0.336 0.000 1.035 285 V CA 1.253 63.703 62.300 0.250 0.000 1.035 285 V CB -0.907 30.910 31.823 -0.011 0.000 0.673 285 V HN 0.347 nan 8.190 nan 0.000 0.457 286 L N 1.660 123.080 121.223 0.329 0.000 2.042 286 L HA -0.027 4.314 4.340 0.001 0.000 0.210 286 L C 2.767 179.744 176.870 0.180 0.000 1.076 286 L CA 1.830 56.878 54.840 0.347 0.000 0.749 286 L CB -1.230 41.078 42.059 0.415 0.000 0.893 286 L HN 0.522 nan 8.230 nan 0.000 0.432 287 G N -0.545 108.358 108.800 0.170 0.000 2.559 287 G HA2 -0.168 3.793 3.960 0.001 0.000 0.216 287 G HA3 -0.168 3.793 3.960 0.001 0.000 0.216 287 G C 1.530 176.502 174.900 0.120 0.000 1.126 287 G CA 0.101 45.255 45.100 0.089 0.000 0.778 287 G HN 0.142 nan 8.290 nan 0.000 0.543 288 K N 0.023 120.515 120.400 0.152 0.000 2.360 288 K HA 0.040 4.361 4.320 0.001 0.000 0.201 288 K C 0.597 177.189 176.600 -0.013 0.000 1.046 288 K CA 0.486 56.838 56.287 0.109 0.000 0.945 288 K CB 0.026 32.561 32.500 0.057 0.000 0.750 288 K HN 0.386 nan 8.250 nan 0.000 0.464 289 I N 1.593 122.140 120.570 -0.038 0.000 2.476 289 I HA 0.153 4.323 4.170 0.001 0.000 0.281 289 I C -0.691 175.246 176.117 -0.300 0.000 1.040 289 I CA -0.401 60.815 61.300 -0.140 0.000 1.094 289 I CB 1.749 39.741 38.000 -0.014 0.000 1.219 289 I HN -0.158 nan 8.210 nan 0.000 0.450 290 E N 6.056 126.035 120.200 -0.368 0.000 2.134 290 E HA 0.489 4.839 4.350 0.001 0.000 0.278 290 E C -0.719 175.606 176.600 -0.458 0.000 0.959 290 E CA -0.703 55.384 56.400 -0.520 0.000 0.783 290 E CB 2.645 32.285 29.700 -0.100 0.000 1.095 290 E HN 0.443 nan 8.360 nan 0.000 0.399 291 V N 0.142 119.691 119.914 -0.607 0.000 2.715 291 V HA 0.642 4.762 4.120 0.001 0.000 0.310 291 V C -0.396 175.493 176.094 -0.342 0.000 1.054 291 V CA -0.658 61.218 62.300 -0.707 0.000 0.928 291 V CB 1.839 32.640 31.823 -1.704 0.000 1.007 291 V HN 0.653 nan 8.190 nan 0.000 0.437 292 E N 1.642 121.749 120.200 -0.155 0.000 2.408 292 E HA 0.661 5.012 4.350 0.001 0.000 0.275 292 E C 0.291 177.048 176.600 0.260 0.000 0.935 292 E CA -0.642 55.827 56.400 0.116 0.000 0.775 292 E CB 1.952 31.701 29.700 0.081 0.000 1.277 292 E HN 1.607 nan 8.360 nan 0.000 0.455 293 G N 0.585 109.572 108.800 0.311 0.000 2.198 293 G HA2 -0.180 3.780 3.960 0.001 0.000 0.257 293 G HA3 -0.180 3.780 3.960 0.001 0.000 0.257 293 G C 0.188 175.224 174.900 0.226 0.000 1.042 293 G CA 0.165 45.404 45.100 0.231 0.000 0.791 293 G HN 0.700 nan 8.290 nan 0.000 0.502 294 G N -0.507 108.444 108.800 0.252 0.000 3.016 294 G HA2 0.750 4.710 3.960 0.001 0.000 0.270 294 G HA3 0.750 4.710 3.960 0.001 0.000 0.270 294 G C -0.079 174.616 174.900 -0.342 0.000 1.352 294 G CA -0.037 45.028 45.100 -0.060 0.000 1.060 294 G HN 0.985 nan 8.290 nan 0.000 0.538 295 N N -1.655 116.812 118.700 -0.388 0.000 2.502 295 N HA 0.327 5.068 4.740 0.001 0.000 0.280 295 N C 0.945 176.216 175.510 -0.398 0.000 1.223 295 N CA -0.838 52.039 53.050 -0.288 0.000 0.966 295 N CB 1.249 39.655 38.487 -0.134 0.000 1.203 295 N HN 0.294 nan 8.380 nan 0.000 0.565 296 L N -0.213 120.949 121.223 -0.101 0.000 2.141 296 L HA -0.036 4.304 4.340 0.001 0.000 0.209 296 L C 1.003 177.917 176.870 0.073 0.000 1.094 296 L CA 1.785 56.670 54.840 0.074 0.000 0.763 296 L CB -0.943 41.223 42.059 0.180 0.000 0.908 296 L HN 0.582 nan 8.230 nan 0.000 0.437 297 D N -0.666 119.745 120.400 0.018 0.000 2.123 297 D HA -0.224 4.416 4.640 0.001 0.000 0.196 297 D C 2.139 178.471 176.300 0.054 0.000 0.992 297 D CA 1.457 55.478 54.000 0.034 0.000 0.833 297 D CB -0.048 40.754 40.800 0.003 0.000 0.954 297 D HN 0.538 nan 8.370 nan 0.000 0.455 298 Q N -0.710 119.089 119.800 -0.002 0.000 2.083 298 Q HA -0.141 4.199 4.340 0.001 0.000 0.198 298 Q C 2.151 178.345 176.000 0.323 0.000 0.969 298 Q CA 0.814 56.679 55.803 0.104 0.000 0.838 298 Q CB -0.154 28.537 28.738 -0.078 0.000 0.900 298 Q HN 0.365 nan 8.270 nan 0.000 0.436 299 Y N 0.956 121.388 120.300 0.220 0.000 2.128 299 Y HA -0.210 4.340 4.550 0.001 0.000 0.284 299 Y C 2.322 178.359 175.900 0.229 0.000 1.154 299 Y CA 1.134 59.268 58.100 0.056 0.000 1.149 299 Y CB -0.540 37.586 38.460 -0.557 0.000 0.976 299 Y HN 0.028 nan 8.280 nan 0.000 0.505 300 R N -0.740 119.978 120.500 0.364 0.000 2.083 300 R HA -0.136 4.204 4.340 0.001 0.000 0.237 300 R C 2.217 178.657 176.300 0.233 0.000 1.137 300 R CA 2.026 58.331 56.100 0.343 0.000 0.951 300 R CB -0.772 29.678 30.300 0.250 0.000 0.851 300 R HN 0.278 nan 8.270 nan 0.000 0.434 301 T N 0.795 115.434 114.554 0.142 0.000 2.708 301 T HA -0.167 4.183 4.350 0.001 0.000 0.266 301 T C 1.411 176.102 174.700 -0.016 0.000 1.037 301 T CA 1.393 63.461 62.100 -0.053 0.000 1.146 301 T CB -0.338 68.387 68.868 -0.238 0.000 0.865 301 T HN 0.187 nan 8.240 nan 0.000 0.435 302 F N 0.744 120.757 119.950 0.105 0.000 2.075 302 F HA -0.120 4.408 4.527 0.001 0.000 0.297 302 F C 1.992 177.752 175.800 -0.066 0.000 1.113 302 F CA 1.236 59.315 58.000 0.133 0.000 1.218 302 F CB -0.339 38.734 39.000 0.122 0.000 0.984 302 F HN 0.123 nan 8.300 nan 0.000 0.472 303 Y N -0.082 120.424 120.300 0.344 0.000 2.314 303 Y HA -0.101 4.449 4.550 0.001 0.000 0.293 303 Y C 2.719 178.716 175.900 0.161 0.000 1.129 303 Y CA 1.252 59.498 58.100 0.244 0.000 1.201 303 Y CB -1.001 37.698 38.460 0.399 0.000 0.999 303 Y HN 0.006 nan 8.280 nan 0.000 0.541 304 S N -1.011 114.846 115.700 0.262 0.000 2.368 304 S HA -0.214 4.257 4.470 0.001 0.000 0.225 304 S C 2.217 176.955 174.600 0.230 0.000 1.030 304 S CA 1.431 59.760 58.200 0.215 0.000 0.999 304 S CB -0.810 62.471 63.200 0.134 0.000 0.844 304 S HN 0.530 nan 8.310 nan 0.000 0.459 305 C N 0.922 120.285 119.300 0.106 0.000 2.440 305 C HA 0.044 4.504 4.460 0.001 0.000 0.278 305 C C 2.505 177.521 174.990 0.044 0.000 1.295 305 C CA 0.391 59.477 59.018 0.113 0.000 1.738 305 C CB -1.272 26.507 27.740 0.065 0.000 1.987 305 C HN 0.511 nan 8.230 nan 0.000 0.492 306 L N 0.421 121.601 121.223 -0.072 0.000 2.056 306 L HA -0.120 4.220 4.340 0.001 0.000 0.207 306 L C 2.333 179.270 176.870 0.112 0.000 1.078 306 L CA 1.955 56.763 54.840 -0.052 0.000 0.749 306 L CB -1.341 40.639 42.059 -0.132 0.000 0.901 306 L HN 0.546 nan 8.230 nan 0.000 0.433 307 Y N 0.293 120.617 120.300 0.040 0.000 2.151 307 Y HA -0.258 4.292 4.550 0.001 0.000 0.284 307 Y C 2.417 178.313 175.900 -0.007 0.000 1.166 307 Y CA 1.792 59.874 58.100 -0.030 0.000 1.163 307 Y CB -0.312 38.001 38.460 -0.246 0.000 0.974 307 Y HN 0.100 nan 8.280 nan 0.000 0.511 308 R N 0.135 120.495 120.500 -0.233 0.000 2.189 308 R HA -0.037 4.303 4.340 0.001 0.000 0.223 308 R C 2.009 178.268 176.300 -0.068 0.000 1.092 308 R CA 1.121 57.070 56.100 -0.251 0.000 0.989 308 R CB -0.781 29.521 30.300 0.004 0.000 0.876 308 R HN 0.351 nan 8.270 nan 0.000 0.457 309 S N 0.676 116.370 115.700 -0.010 0.000 2.603 309 S HA 0.156 4.626 4.470 0.001 0.000 0.220 309 S C 1.183 175.771 174.600 -0.021 0.000 0.967 309 S CA 0.328 58.554 58.200 0.043 0.000 0.920 309 S CB 0.151 63.393 63.200 0.071 0.000 0.773 309 S HN 0.203 nan 8.310 nan 0.000 0.529 310 L N 0.529 121.626 121.223 -0.210 0.000 3.288 310 L HA 0.413 4.754 4.340 0.001 0.000 0.293 310 L C 0.566 176.858 176.870 -0.963 0.000 1.294 310 L CA 0.134 54.550 54.840 -0.708 0.000 1.006 310 L CB 0.177 41.767 42.059 -0.782 0.000 1.407 310 L HN 0.213 nan 8.230 nan 0.000 0.592 311 L N -1.269 119.703 121.223 -0.419 0.000 2.526 311 L HA 0.344 4.685 4.340 0.001 0.000 0.210 311 L C -0.060 176.750 176.870 -0.101 0.000 1.048 311 L CA 0.432 55.076 54.840 -0.326 0.000 0.852 311 L CB 0.477 42.253 42.059 -0.472 0.000 1.128 311 L HN 0.038 nan 8.230 nan 0.000 0.482 312 F N 0.641 120.777 119.950 0.311 0.000 2.522 312 F HA 0.466 4.994 4.527 0.001 0.000 0.324 312 F C -2.154 173.853 175.800 0.345 0.000 1.077 312 F CA -2.605 55.617 58.000 0.369 0.000 0.944 312 F CB 0.917 40.076 39.000 0.265 0.000 1.175 312 F HN -0.259 nan 8.300 nan 0.000 0.468 313 P HA 0.127 nan 4.420 nan 0.000 0.271 313 P C -0.888 176.827 177.300 0.692 0.000 1.218 313 P CA -0.485 62.989 63.100 0.623 0.000 0.780 313 P CB 0.838 32.879 31.700 0.567 0.000 0.901 314 R N 1.906 122.726 120.500 0.533 0.000 2.641 314 R HA 0.273 4.613 4.340 0.001 0.000 0.269 314 R C -0.120 176.390 176.300 0.351 0.000 1.074 314 R CA -0.600 55.737 56.100 0.395 0.000 1.133 314 R CB 0.403 30.765 30.300 0.105 0.000 1.029 314 R HN 0.299 nan 8.270 nan 0.000 0.488 315 K N 1.512 121.972 120.400 0.100 0.000 2.489 315 K HA -0.067 4.254 4.320 0.001 0.000 0.278 315 K C -0.404 176.146 176.600 -0.084 0.000 1.000 315 K CA 0.446 56.474 56.287 -0.431 0.000 1.012 315 K CB 0.286 32.519 32.500 -0.444 0.000 0.903 315 K HN 0.546 nan 8.250 nan 0.000 0.485 316 F N 3.220 123.026 119.950 -0.240 0.000 2.772 316 F HA 0.153 4.680 4.527 0.001 0.000 0.316 316 F C -0.683 175.193 175.800 0.128 0.000 1.114 316 F CA -0.700 57.295 58.000 -0.008 0.000 1.191 316 F CB 0.504 39.505 39.000 0.001 0.000 1.065 316 F HN 0.501 nan 8.300 nan 0.000 0.534 317 Y N -0.568 119.762 120.300 0.050 0.000 2.534 317 Y HA 0.807 5.358 4.550 0.001 0.000 0.329 317 Y C -0.566 175.385 175.900 0.085 0.000 1.154 317 Y CA -1.242 56.926 58.100 0.114 0.000 1.192 317 Y CB 0.708 39.249 38.460 0.134 0.000 1.275 317 Y HN 0.017 nan 8.280 nan 0.000 0.491 318 E N 1.440 121.780 120.200 0.233 0.000 2.392 318 E HA 0.448 4.798 4.350 0.001 0.000 0.269 318 E C -1.782 174.941 176.600 0.204 0.000 0.924 318 E CA -1.243 55.233 56.400 0.126 0.000 0.784 318 E CB 2.321 32.074 29.700 0.088 0.000 1.292 318 E HN 0.374 nan 8.360 nan 0.000 0.447 319 L N 2.804 124.115 121.223 0.147 0.000 2.275 319 L HA 0.222 4.562 4.340 0.001 0.000 0.288 319 L C 0.120 177.043 176.870 0.088 0.000 1.046 319 L CA -0.384 54.540 54.840 0.139 0.000 0.805 319 L CB 0.486 42.627 42.059 0.137 0.000 1.193 319 L HN 0.603 nan 8.230 nan 0.000 0.426 320 D N 2.346 122.788 120.400 0.070 0.000 2.398 320 D HA 0.161 4.801 4.640 0.001 0.000 0.264 320 D C 1.043 177.368 176.300 0.042 0.000 1.263 320 D CA 0.056 54.083 54.000 0.046 0.000 1.037 320 D CB 0.474 41.292 40.800 0.030 0.000 1.101 320 D HN 0.454 nan 8.370 nan 0.000 0.551 321 A N -0.590 122.249 122.820 0.031 0.000 2.125 321 A HA -0.156 4.164 4.320 0.001 0.000 0.219 321 A C 1.419 179.021 177.584 0.030 0.000 1.156 321 A CA 0.942 52.997 52.037 0.030 0.000 0.671 321 A CB -0.647 18.366 19.000 0.022 0.000 0.794 321 A HN 0.530 nan 8.150 nan 0.000 0.459 322 N N -1.053 117.664 118.700 0.030 0.000 2.230 322 N HA 0.184 4.924 4.740 0.001 0.000 0.202 322 N C 0.996 176.528 175.510 0.038 0.000 1.119 322 N CA 0.873 53.940 53.050 0.030 0.000 0.851 322 N CB 0.656 39.157 38.487 0.022 0.000 0.990 322 N HN 0.571 nan 8.380 nan 0.000 0.497 323 G N 0.874 109.703 108.800 0.048 0.000 2.136 323 G HA2 -0.230 3.730 3.960 0.001 0.000 0.242 323 G HA3 -0.230 3.730 3.960 0.001 0.000 0.242 323 G C -0.140 174.799 174.900 0.065 0.000 0.989 323 G CA -0.107 45.031 45.100 0.065 0.000 0.682 323 G HN 0.185 nan 8.290 nan 0.000 0.522 324 Q N 0.084 119.909 119.800 0.042 0.000 2.235 324 Q HA 0.469 4.809 4.340 0.001 0.000 0.250 324 Q C -2.456 173.547 176.000 0.005 0.000 0.909 324 Q CA -2.264 53.543 55.803 0.007 0.000 0.910 324 Q CB 1.265 29.997 28.738 -0.011 0.000 1.223 324 Q HN 0.208 nan 8.270 nan 0.000 0.432 325 P HA 0.161 nan 4.420 nan 0.000 0.271 325 P C -0.534 176.749 177.300 -0.029 0.000 1.226 325 P CA 0.183 63.215 63.100 -0.113 0.000 0.765 325 P CB 0.245 31.511 31.700 -0.724 0.000 0.835 326 I N 0.546 121.187 120.570 0.118 0.000 2.865 326 I HA 0.711 4.882 4.170 0.001 0.000 0.302 326 I C -0.802 175.455 176.117 0.234 0.000 1.140 326 I CA -0.989 60.367 61.300 0.094 0.000 1.021 326 I CB 2.767 40.786 38.000 0.032 0.000 1.233 326 I HN 0.367 nan 8.210 nan 0.000 0.427 327 H N 2.237 121.402 119.070 0.159 0.000 2.974 327 H HA 0.304 4.860 4.556 0.001 0.000 0.366 327 H C -2.088 173.381 175.328 0.235 0.000 1.155 327 H CA -0.810 55.371 56.048 0.222 0.000 1.186 327 H CB 1.206 31.143 29.762 0.292 0.000 1.799 327 H HN 0.831 nan 8.280 nan 0.000 0.541 328 Y N 2.554 122.988 120.300 0.224 0.000 2.526 328 Y HA 0.135 4.686 4.550 0.001 0.000 0.330 328 Y C 0.323 176.468 175.900 0.410 0.000 1.156 328 Y CA 0.240 58.480 58.100 0.233 0.000 1.419 328 Y CB 0.805 39.408 38.460 0.238 0.000 1.250 328 Y HN 0.673 nan 8.280 nan 0.000 0.540 329 S N 8.493 124.031 115.700 -0.270 0.000 2.422 329 S HA 0.258 4.729 4.470 0.001 0.000 0.283 329 S C -1.707 172.545 174.600 -0.579 0.000 1.163 329 S CA -1.496 56.604 58.200 -0.166 0.000 1.054 329 S CB 0.502 63.679 63.200 -0.038 0.000 0.967 329 S HN 0.669 nan 8.310 nan 0.000 0.499 330 P HA 0.059 nan 4.420 nan 0.000 0.245 330 P C -0.014 176.888 177.300 -0.662 0.000 1.212 330 P CA 0.512 63.272 63.100 -0.567 0.000 0.774 330 P CB -0.116 31.075 31.700 -0.849 0.000 0.999 331 Y N 1.037 121.197 120.300 -0.233 0.000 2.522 331 Y HA 0.077 4.627 4.550 0.001 0.000 0.277 331 Y C 1.858 177.704 175.900 -0.090 0.000 1.104 331 Y CA 0.939 58.943 58.100 -0.161 0.000 1.260 331 Y CB -0.337 38.034 38.460 -0.148 0.000 1.151 331 Y HN 0.104 nan 8.280 nan 0.000 0.539 332 N N -1.880 116.829 118.700 0.014 0.000 2.082 332 N HA 0.199 4.940 4.740 0.001 0.000 0.228 332 N C 1.239 176.724 175.510 -0.041 0.000 1.341 332 N CA 0.592 53.645 53.050 0.006 0.000 0.873 332 N CB 0.671 39.174 38.487 0.027 0.000 1.137 332 N HN 0.197 nan 8.380 nan 0.000 0.505 333 G N -0.050 108.649 108.800 -0.169 0.000 2.184 333 G HA2 -0.342 3.619 3.960 0.001 0.000 0.264 333 G HA3 -0.342 3.619 3.960 0.001 0.000 0.264 333 G C -0.236 174.652 174.900 -0.021 0.000 0.975 333 G CA 0.632 45.659 45.100 -0.122 0.000 0.642 333 G HN 0.534 nan 8.290 nan 0.000 0.536 334 Q N -0.597 119.168 119.800 -0.058 0.000 2.256 334 Q HA 0.589 4.930 4.340 0.001 0.000 0.232 334 Q C 0.054 176.054 176.000 0.000 0.000 0.965 334 Q CA -0.569 55.236 55.803 0.004 0.000 0.908 334 Q CB 2.014 30.747 28.738 -0.007 0.000 1.209 334 Q HN 0.184 nan 8.270 nan 0.000 0.489 335 V N 3.001 122.936 119.914 0.036 0.000 2.350 335 V HA 0.364 4.485 4.120 0.001 0.000 0.276 335 V C -0.319 175.718 176.094 -0.095 0.000 1.028 335 V CA -0.320 61.988 62.300 0.013 0.000 0.860 335 V CB 0.267 32.128 31.823 0.063 0.000 0.990 335 V HN 0.518 nan 8.190 nan 0.000 0.453 336 L N 6.939 128.000 121.223 -0.269 0.000 2.333 336 L HA 0.638 4.978 4.340 0.001 0.000 0.263 336 L C -2.390 174.247 176.870 -0.389 0.000 1.014 336 L CA -2.087 52.571 54.840 -0.303 0.000 0.820 336 L CB 3.116 45.024 42.059 -0.252 0.000 1.352 336 L HN 0.368 nan 8.230 nan 0.000 0.421 337 P HA 0.319 nan 4.420 nan 0.000 0.272 337 P C -0.057 177.253 177.300 0.016 0.000 1.223 337 P CA 0.304 63.353 63.100 -0.084 0.000 0.784 337 P CB 1.074 32.748 31.700 -0.042 0.000 0.923 338 G N 0.598 109.407 108.800 0.013 0.000 2.498 338 G HA2 -0.081 3.880 3.960 0.001 0.000 0.651 338 G HA3 -0.081 3.880 3.960 0.001 0.000 0.651 338 G C -1.469 173.421 174.900 -0.016 0.000 1.284 338 G CA -0.955 44.125 45.100 -0.033 0.000 0.950 338 G HN 0.292 nan 8.290 nan 0.000 0.511 339 Y N -0.772 119.547 120.300 0.032 0.000 2.326 339 Y HA 0.708 5.259 4.550 0.001 0.000 0.333 339 Y C 0.947 176.814 175.900 -0.055 0.000 1.240 339 Y CA 0.289 58.341 58.100 -0.080 0.000 1.365 339 Y CB 1.504 39.965 38.460 0.001 0.000 1.289 339 Y HN 0.785 nan 8.280 nan 0.000 0.548 340 M N 2.973 122.718 119.600 0.241 0.000 2.325 340 M HA 0.514 4.994 4.480 0.001 0.000 0.285 340 M C -2.393 174.086 176.300 0.298 0.000 1.119 340 M CA -0.906 54.492 55.300 0.163 0.000 0.959 340 M CB 1.072 33.552 32.600 -0.200 0.000 1.737 340 M HN 0.398 nan 8.290 nan 0.000 0.486 341 F N 0.933 121.051 119.950 0.279 0.000 2.603 341 F HA 0.917 5.444 4.527 0.001 0.000 0.317 341 F C 0.239 176.154 175.800 0.191 0.000 1.066 341 F CA -0.373 57.806 58.000 0.299 0.000 0.941 341 F CB 2.578 41.753 39.000 0.292 0.000 1.291 341 F HN 0.633 nan 8.300 nan 0.000 0.472 342 T N -0.893 113.881 114.554 0.367 0.000 2.661 342 T HA 0.364 4.714 4.350 0.001 0.000 0.305 342 T C -2.174 172.709 174.700 0.305 0.000 1.441 342 T CA -0.534 61.681 62.100 0.192 0.000 0.999 342 T CB 0.948 69.722 68.868 -0.156 0.000 1.650 342 T HN 0.628 nan 8.240 nan 0.000 0.489 343 D N 0.897 121.457 120.400 0.267 0.000 2.800 343 D HA -0.085 4.556 4.640 0.001 0.000 0.248 343 D C -0.574 175.917 176.300 0.320 0.000 1.091 343 D CA 1.434 55.679 54.000 0.408 0.000 0.746 343 D CB -1.395 39.739 40.800 0.558 0.000 1.062 343 D HN 0.640 nan 8.370 nan 0.000 0.431 344 T N -1.209 113.354 114.554 0.014 0.000 2.932 344 T HA 0.617 4.967 4.350 0.001 0.000 0.318 344 T C -0.519 173.473 174.700 -1.181 0.000 1.265 344 T CA 0.004 61.905 62.100 -0.332 0.000 1.036 344 T CB 1.786 70.713 68.868 0.100 0.000 1.209 344 T HN 0.208 nan 8.240 nan 0.000 0.484 345 G N 2.521 110.351 108.800 -1.616 0.000 2.468 345 G HA2 0.537 4.497 3.960 0.001 0.000 0.315 345 G HA3 0.537 4.497 3.960 0.001 0.000 0.315 345 G C 0.453 175.071 174.900 -0.470 0.000 1.203 345 G CA -0.560 43.416 45.100 -1.872 0.000 0.962 345 G HN 0.606 nan 8.290 nan 0.000 0.476 346 F N 1.039 120.881 119.950 -0.181 0.000 2.269 346 F HA 0.029 4.556 4.527 0.001 0.000 0.301 346 F C 2.013 177.987 175.800 0.291 0.000 1.082 346 F CA -0.108 57.934 58.000 0.070 0.000 1.360 346 F CB -0.371 38.649 39.000 0.033 0.000 1.041 346 F HN 0.751 nan 8.300 nan 0.000 0.512 347 W N 1.702 123.175 121.300 0.287 0.000 2.325 347 W HA -0.226 4.435 4.660 0.001 0.000 0.299 347 W C 1.907 178.593 176.519 0.278 0.000 1.215 347 W CA 2.020 59.587 57.345 0.369 0.000 1.244 347 W CB -0.213 29.431 29.460 0.307 0.000 1.140 347 W HN -0.083 nan 8.180 nan 0.000 0.523 348 D N -1.153 119.425 120.400 0.297 0.000 2.106 348 D HA -0.129 4.512 4.640 0.001 0.000 0.203 348 D C 2.129 178.407 176.300 -0.036 0.000 0.977 348 D CA 2.617 56.656 54.000 0.065 0.000 0.844 348 D CB -0.950 39.966 40.800 0.194 0.000 1.002 348 D HN 0.243 nan 8.370 nan 0.000 0.461 349 T N -0.923 113.728 114.554 0.163 0.000 3.107 349 T HA 0.024 4.374 4.350 0.001 0.000 0.249 349 T C 1.799 176.693 174.700 0.323 0.000 1.096 349 T CA -0.300 61.963 62.100 0.272 0.000 1.012 349 T CB -0.734 68.419 68.868 0.475 0.000 0.977 349 T HN 0.210 nan 8.240 nan 0.000 0.527 350 F N 1.848 121.879 119.950 0.134 0.000 2.407 350 F HA 0.273 4.801 4.527 0.001 0.000 0.299 350 F C 2.186 177.959 175.800 -0.045 0.000 1.097 350 F CA -0.141 57.852 58.000 -0.013 0.000 1.422 350 F CB -0.351 38.586 39.000 -0.106 0.000 1.067 350 F HN -0.039 nan 8.300 nan 0.000 0.539 351 R N 0.380 120.374 120.500 -0.845 0.000 2.062 351 R HA -0.078 4.263 4.340 0.001 0.000 0.231 351 R C 1.931 178.039 176.300 -0.321 0.000 1.136 351 R CA 2.052 57.670 56.100 -0.803 0.000 0.948 351 R CB -0.701 29.162 30.300 -0.727 0.000 0.845 351 R HN 0.654 nan 8.270 nan 0.000 0.430 352 C N -2.899 116.341 119.300 -0.100 0.000 4.403 352 C HA 0.342 4.803 4.460 0.001 0.000 0.408 352 C C 1.888 177.039 174.990 0.269 0.000 1.714 352 C CA -0.862 58.148 59.018 -0.013 0.000 2.002 352 C CB -0.630 27.049 27.740 -0.102 0.000 3.129 352 C HN 0.328 nan 8.230 nan 0.000 0.662 353 L N 1.373 122.736 121.223 0.233 0.000 1.976 353 L HA 0.094 4.434 4.340 0.001 0.000 0.209 353 L C 2.251 179.226 176.870 0.175 0.000 1.071 353 L CA 2.360 57.329 54.840 0.215 0.000 0.746 353 L CB -1.300 40.856 42.059 0.163 0.000 0.890 353 L HN 0.363 nan 8.230 nan 0.000 0.432 354 F N 0.550 120.602 119.950 0.169 0.000 2.171 354 F HA -0.104 4.424 4.527 0.001 0.000 0.300 354 F C -0.238 175.656 175.800 0.156 0.000 1.090 354 F CA 1.512 59.592 58.000 0.133 0.000 1.293 354 F CB -1.839 37.185 39.000 0.040 0.000 1.013 354 F HN 0.223 nan 8.300 nan 0.000 0.486 355 P HA -0.186 nan 4.420 nan 0.000 0.216 355 P C 1.890 179.502 177.300 0.519 0.000 1.150 355 P CA 1.070 64.361 63.100 0.319 0.000 0.837 355 P CB -0.027 31.762 31.700 0.148 0.000 0.786 356 L N -0.814 120.747 121.223 0.563 0.000 2.079 356 L HA -0.157 4.183 4.340 0.001 0.000 0.210 356 L C 2.081 179.151 176.870 0.334 0.000 1.081 356 L CA 1.808 56.867 54.840 0.364 0.000 0.752 356 L CB -1.308 40.833 42.059 0.137 0.000 0.896 356 L HN -0.104 nan 8.230 nan 0.000 0.433 357 L N -0.728 120.693 121.223 0.330 0.000 2.093 357 L HA -0.178 4.162 4.340 0.001 0.000 0.208 357 L C 2.222 179.271 176.870 0.298 0.000 1.085 357 L CA 1.036 56.081 54.840 0.341 0.000 0.755 357 L CB -0.888 41.277 42.059 0.177 0.000 0.904 357 L HN 0.338 nan 8.230 nan 0.000 0.435 358 N N 0.193 119.069 118.700 0.292 0.000 2.244 358 N HA -0.148 4.593 4.740 0.001 0.000 0.183 358 N C 1.764 177.532 175.510 0.429 0.000 1.016 358 N CA 1.017 54.237 53.050 0.284 0.000 0.866 358 N CB -0.147 38.450 38.487 0.182 0.000 0.980 358 N HN 0.182 nan 8.380 nan 0.000 0.430 359 L N 0.131 121.628 121.223 0.456 0.000 2.049 359 L HA 0.093 4.433 4.340 0.001 0.000 0.203 359 L C 1.742 178.873 176.870 0.435 0.000 1.074 359 L CA 1.545 56.678 54.840 0.488 0.000 0.749 359 L CB -0.195 42.117 42.059 0.423 0.000 0.907 359 L HN 0.004 nan 8.230 nan 0.000 0.439 360 M N -2.212 117.471 119.600 0.138 0.000 2.491 360 M HA 0.161 4.641 4.480 0.001 0.000 0.259 360 M C -0.010 175.950 176.300 -0.565 0.000 1.163 360 M CA 0.613 55.742 55.300 -0.284 0.000 1.109 360 M CB -0.107 32.069 32.600 -0.706 0.000 1.353 360 M HN 0.154 nan 8.290 nan 0.000 0.500 361 Y N -0.212 120.217 120.300 0.215 0.000 2.614 361 Y HA 0.323 4.873 4.550 0.001 0.000 0.296 361 Y C -1.695 174.250 175.900 0.075 0.000 0.942 361 Y CA -2.039 56.151 58.100 0.149 0.000 1.111 361 Y CB -0.378 38.199 38.460 0.195 0.000 1.182 361 Y HN 0.071 nan 8.280 nan 0.000 0.624 362 P HA -0.157 nan 4.420 nan 0.000 0.219 362 P C 1.643 178.972 177.300 0.047 0.000 1.150 362 P CA 1.774 64.956 63.100 0.136 0.000 0.814 362 P CB 0.254 32.069 31.700 0.191 0.000 0.787 363 S N -0.633 115.092 115.700 0.041 0.000 2.419 363 S HA -0.097 4.373 4.470 0.001 0.000 0.233 363 S C 1.996 176.540 174.600 -0.093 0.000 1.016 363 S CA 1.306 59.500 58.200 -0.011 0.000 0.974 363 S CB -1.730 61.482 63.200 0.021 0.000 0.786 363 S HN -0.010 nan 8.310 nan 0.000 0.492 364 V N 2.592 122.426 119.914 -0.133 0.000 2.346 364 V HA -0.065 4.056 4.120 0.001 0.000 0.244 364 V C 2.733 178.586 176.094 -0.402 0.000 1.037 364 V CA 1.847 63.933 62.300 -0.356 0.000 1.029 364 V CB -1.186 30.221 31.823 -0.692 0.000 0.663 364 V HN 0.493 nan 8.190 nan 0.000 0.454 365 N N 0.577 119.132 118.700 -0.242 0.000 2.289 365 N HA -0.187 4.554 4.740 0.001 0.000 0.184 365 N C 1.688 177.095 175.510 -0.172 0.000 1.016 365 N CA 1.246 54.192 53.050 -0.174 0.000 0.872 365 N CB -0.232 38.259 38.487 0.007 0.000 0.973 365 N HN 0.377 nan 8.380 nan 0.000 0.433 366 K N 1.344 121.654 120.400 -0.151 0.000 2.020 366 K HA -0.114 4.206 4.320 0.001 0.000 0.212 366 K C 1.656 178.113 176.600 -0.237 0.000 1.050 366 K CA 1.655 57.855 56.287 -0.145 0.000 0.929 366 K CB -0.375 32.062 32.500 -0.106 0.000 0.714 366 K HN 0.307 nan 8.250 nan 0.000 0.443 367 E N -0.259 119.712 120.200 -0.382 0.000 2.058 367 E HA -0.223 4.128 4.350 0.001 0.000 0.194 367 E C 2.139 178.524 176.600 -0.357 0.000 0.997 367 E CA 1.898 57.953 56.400 -0.575 0.000 0.801 367 E CB -0.200 29.191 29.700 -0.515 0.000 0.746 367 E HN 0.360 nan 8.360 nan 0.000 0.450 368 M N 0.470 119.682 119.600 -0.646 0.000 2.117 368 M HA -0.206 4.275 4.480 0.001 0.000 0.262 368 M C 2.329 178.552 176.300 -0.128 0.000 1.065 368 M CA 1.296 56.210 55.300 -0.643 0.000 1.114 368 M CB -0.086 32.162 32.600 -0.588 0.000 1.361 368 M HN 0.005 nan 8.290 nan 0.000 0.408 369 Q N 0.294 120.031 119.800 -0.106 0.000 2.084 369 Q HA -0.147 4.194 4.340 0.001 0.000 0.202 369 Q C 1.912 177.932 176.000 0.033 0.000 0.978 369 Q CA 1.227 57.002 55.803 -0.046 0.000 0.844 369 Q CB -0.540 28.158 28.738 -0.067 0.000 0.898 369 Q HN 0.529 nan 8.270 nan 0.000 0.426 370 E N 0.081 120.307 120.200 0.043 0.000 2.153 370 E HA -0.117 4.233 4.350 0.001 0.000 0.194 370 E C 2.014 178.741 176.600 0.212 0.000 0.988 370 E CA 1.176 57.661 56.400 0.141 0.000 0.811 370 E CB -0.338 29.481 29.700 0.199 0.000 0.746 370 E HN 0.495 nan 8.360 nan 0.000 0.466 371 G N 1.000 109.947 108.800 0.245 0.000 2.422 371 G HA2 -0.176 3.785 3.960 0.001 0.000 0.218 371 G HA3 -0.176 3.785 3.960 0.001 0.000 0.218 371 G C 1.718 176.761 174.900 0.238 0.000 1.140 371 G CA 0.276 45.557 45.100 0.301 0.000 0.775 371 G HN 0.161 nan 8.290 nan 0.000 0.545 372 L N 0.405 121.765 121.223 0.228 0.000 2.109 372 L HA -0.007 4.334 4.340 0.001 0.000 0.207 372 L C 2.762 179.861 176.870 0.382 0.000 1.086 372 L CA 0.191 55.205 54.840 0.288 0.000 0.760 372 L CB -0.408 41.768 42.059 0.195 0.000 0.910 372 L HN 0.080 nan 8.230 nan 0.000 0.437 373 I N 0.500 121.253 120.570 0.305 0.000 2.118 373 I HA -0.317 3.853 4.170 0.001 0.000 0.241 373 I C 2.309 178.546 176.117 0.199 0.000 1.070 373 I CA 1.599 63.066 61.300 0.277 0.000 1.327 373 I CB -1.374 36.738 38.000 0.188 0.000 1.034 373 I HN 0.374 nan 8.210 nan 0.000 0.405 374 N N 0.525 119.326 118.700 0.168 0.000 2.149 374 N HA -0.144 4.597 4.740 0.001 0.000 0.188 374 N C 1.821 177.362 175.510 0.051 0.000 1.019 374 N CA 1.760 54.889 53.050 0.131 0.000 0.857 374 N CB -0.484 38.095 38.487 0.155 0.000 0.997 374 N HN 0.379 nan 8.380 nan 0.000 0.426 375 T N 0.220 114.783 114.554 0.015 0.000 2.746 375 T HA -0.166 4.184 4.350 0.001 0.000 0.267 375 T C 1.713 176.256 174.700 -0.262 0.000 1.039 375 T CA 0.980 62.926 62.100 -0.257 0.000 1.142 375 T CB -0.398 68.337 68.868 -0.222 0.000 0.866 375 T HN 0.320 nan 8.240 nan 0.000 0.444 376 Y N 1.611 121.769 120.300 -0.235 0.000 2.163 376 Y HA -0.028 4.522 4.550 0.001 0.000 0.288 376 Y C 1.995 177.716 175.900 -0.299 0.000 1.136 376 Y CA 1.107 58.953 58.100 -0.423 0.000 1.147 376 Y CB -0.453 37.486 38.460 -0.868 0.000 0.987 376 Y HN 0.115 nan 8.280 nan 0.000 0.509 377 L N -0.144 120.980 121.223 -0.164 0.000 2.131 377 L HA -0.198 4.142 4.340 0.001 0.000 0.210 377 L C 2.029 178.787 176.870 -0.186 0.000 1.092 377 L CA 1.767 56.506 54.840 -0.167 0.000 0.759 377 L CB -0.413 41.639 42.059 -0.013 0.000 0.903 377 L HN 0.278 nan 8.230 nan 0.000 0.435 378 E N -0.986 119.130 120.200 -0.140 0.000 2.340 378 E HA -0.073 4.277 4.350 0.001 0.000 0.194 378 E C 1.996 178.552 176.600 -0.073 0.000 0.996 378 E CA 0.998 57.358 56.400 -0.065 0.000 0.869 378 E CB 0.285 30.009 29.700 0.041 0.000 0.835 378 E HN 0.439 nan 8.360 nan 0.000 0.493 379 S N -1.832 113.769 115.700 -0.165 0.000 2.589 379 S HA 0.273 4.744 4.470 0.001 0.000 0.235 379 S C 1.635 176.194 174.600 -0.070 0.000 1.051 379 S CA 0.380 58.572 58.200 -0.014 0.000 0.978 379 S CB 0.981 64.223 63.200 0.071 0.000 0.929 379 S HN 0.272 nan 8.310 nan 0.000 0.523 380 G N 0.486 109.003 108.800 -0.472 0.000 2.179 380 G HA2 -0.214 3.747 3.960 0.001 0.000 0.260 380 G HA3 -0.214 3.747 3.960 0.001 0.000 0.260 380 G C -0.125 174.191 174.900 -0.974 0.000 0.977 380 G CA 0.451 45.034 45.100 -0.861 0.000 0.641 380 G HN 0.550 nan 8.290 nan 0.000 0.533 381 F N -0.728 119.030 119.950 -0.321 0.000 2.588 381 F HA 0.729 5.256 4.527 0.001 0.000 0.310 381 F C 0.185 176.040 175.800 0.091 0.000 1.082 381 F CA -1.423 56.569 58.000 -0.014 0.000 0.929 381 F CB 1.187 40.183 39.000 -0.008 0.000 1.254 381 F HN -0.068 nan 8.300 nan 0.000 0.455 382 F N 3.564 123.802 119.950 0.479 0.000 2.506 382 F HA 0.301 4.829 4.527 0.001 0.000 0.351 382 F C -1.810 174.209 175.800 0.366 0.000 1.136 382 F CA -2.031 56.169 58.000 0.332 0.000 1.298 382 F CB -0.109 39.013 39.000 0.203 0.000 1.145 382 F HN 0.119 nan 8.300 nan 0.000 0.593 383 P HA 0.196 nan 4.420 nan 0.000 0.279 383 P C -0.408 177.065 177.300 0.287 0.000 1.252 383 P CA -0.192 63.175 63.100 0.444 0.000 0.811 383 P CB 1.734 33.591 31.700 0.262 0.000 1.035 384 E N 0.143 120.444 120.200 0.168 0.000 2.538 384 E HA 0.089 4.439 4.350 0.001 0.000 0.188 384 E C -0.208 176.310 176.600 -0.137 0.000 1.014 384 E CA 0.695 57.154 56.400 0.099 0.000 1.140 384 E CB -0.202 29.632 29.700 0.223 0.000 1.262 384 E HN 0.472 nan 8.360 nan 0.000 0.488 385 W N 1.005 122.305 121.300 0.000 0.000 2.376 385 W HA 0.564 5.225 4.660 0.001 0.000 0.312 385 W C -0.738 175.771 176.519 -0.016 0.000 1.060 385 W CA -0.315 57.015 57.345 -0.025 0.000 1.221 385 W CB 1.470 30.937 29.460 0.013 0.000 1.281 385 W HN 0.033 nan 8.180 nan 0.000 0.456 386 A N 3.280 126.320 122.820 0.367 0.000 2.353 386 A HA 0.670 4.991 4.320 0.001 0.000 0.299 386 A C -0.879 176.852 177.584 0.245 0.000 1.089 386 A CA -0.530 51.631 52.037 0.206 0.000 0.736 386 A CB 1.790 20.839 19.000 0.081 0.000 1.195 386 A HN 0.319 nan 8.150 nan 0.000 0.447 387 S N 4.127 119.858 115.700 0.052 0.000 2.441 387 S HA 0.457 4.927 4.470 0.001 0.000 0.187 387 S C -2.464 171.912 174.600 -0.374 0.000 0.917 387 S CA -0.499 57.693 58.200 -0.014 0.000 1.078 387 S CB 1.138 64.452 63.200 0.190 0.000 1.379 387 S HN 0.466 nan 8.310 nan 0.000 0.399 388 P HA 0.221 nan 4.420 nan 0.000 0.222 388 P C 1.042 177.836 177.300 -0.843 0.000 1.157 388 P CA 0.577 63.145 63.100 -0.887 0.000 0.816 388 P CB 0.006 30.892 31.700 -1.358 0.000 0.813 389 G N -0.423 107.871 108.800 -0.842 0.000 2.543 389 G HA2 0.178 4.139 3.960 0.001 0.000 0.267 389 G HA3 0.178 4.139 3.960 0.001 0.000 0.267 389 G C -0.524 174.123 174.900 -0.422 0.000 1.406 389 G CA -0.377 44.118 45.100 -1.008 0.000 1.048 389 G HN 0.101 nan 8.290 nan 0.000 0.548 390 H N 0.900 119.915 119.070 -0.093 0.000 2.929 390 H HA 0.231 4.788 4.556 0.001 0.000 0.317 390 H C 0.250 175.509 175.328 -0.114 0.000 1.031 390 H CA 0.476 56.509 56.048 -0.024 0.000 1.466 390 H CB 0.501 30.197 29.762 -0.110 0.000 1.482 390 H HN 0.111 nan 8.280 nan 0.000 0.561 391 R N 1.578 122.128 120.500 0.083 0.000 2.621 391 R HA 0.276 4.617 4.340 0.001 0.000 0.292 391 R C 0.298 176.597 176.300 -0.001 0.000 0.969 391 R CA -0.959 55.137 56.100 -0.008 0.000 0.887 391 R CB 2.045 32.316 30.300 -0.048 0.000 1.180 391 R HN 0.783 nan 8.270 nan 0.000 0.450 392 G N 1.008 109.775 108.800 -0.055 0.000 2.508 392 G HA2 0.309 4.270 3.960 0.001 0.000 0.301 392 G HA3 0.309 4.270 3.960 0.001 0.000 0.301 392 G C -0.398 174.461 174.900 -0.068 0.000 0.965 392 G CA 0.010 45.082 45.100 -0.046 0.000 1.339 392 G HN 0.497 nan 8.290 nan 0.000 0.455 393 C N 5.329 124.614 119.300 -0.025 0.000 3.146 393 C HA 0.609 5.070 4.460 0.001 0.000 0.405 393 C C -0.147 174.894 174.990 0.085 0.000 1.012 393 C CA -0.615 58.355 59.018 -0.079 0.000 1.217 393 C CB 0.316 27.814 27.740 -0.404 0.000 1.599 393 C HN 1.015 nan 8.230 nan 0.000 0.567 394 M N 3.079 122.649 119.600 -0.051 0.000 7.319 394 M HA -0.133 4.347 4.480 0.001 0.000 0.129 394 M C -0.053 176.189 176.300 -0.096 0.000 0.480 394 M CA 1.744 56.921 55.300 -0.205 0.000 1.311 394 M CB -2.183 30.271 32.600 -0.244 0.000 0.421 394 M HN 1.774 nan 8.290 nan 0.000 0.500 395 V N -3.130 116.719 119.914 -0.109 0.000 3.165 395 V HA 1.046 5.166 4.120 0.001 0.000 0.309 395 V C 0.224 176.514 176.094 0.327 0.000 1.267 395 V CA 0.557 62.912 62.300 0.091 0.000 1.067 395 V CB 1.220 33.064 31.823 0.034 0.000 1.082 395 V HN 2.691 nan 8.190 nan 0.000 0.451 396 G N 0.649 109.621 108.800 0.287 0.000 2.663 396 G HA2 -0.139 3.822 3.960 0.001 0.000 0.686 396 G HA3 -0.139 3.822 3.960 0.001 0.000 0.686 396 G C -0.418 174.728 174.900 0.411 0.000 1.288 396 G CA 0.076 45.397 45.100 0.368 0.000 0.836 396 G HN 1.699 nan 8.290 nan 0.000 0.584 397 N N -0.112 118.811 118.700 0.372 0.000 2.610 397 N HA 0.130 4.871 4.740 0.001 0.000 0.309 397 N C 1.077 176.622 175.510 0.058 0.000 1.536 397 N CA 0.072 53.237 53.050 0.193 0.000 0.954 397 N CB -0.148 38.374 38.487 0.059 0.000 1.310 397 N HN 0.510 nan 8.380 nan 0.000 0.502 398 N N -0.467 118.273 118.700 0.067 0.000 2.550 398 N HA -0.129 4.612 4.740 0.001 0.000 0.186 398 N C 1.879 177.265 175.510 -0.207 0.000 1.110 398 N CA 0.622 53.570 53.050 -0.170 0.000 0.912 398 N CB 0.240 38.563 38.487 -0.273 0.000 0.968 398 N HN 0.332 nan 8.380 nan 0.000 0.448 399 S N 0.643 116.316 115.700 -0.044 0.000 2.407 399 S HA -0.256 4.215 4.470 0.001 0.000 0.235 399 S C 2.114 176.443 174.600 -0.453 0.000 1.036 399 S CA 1.059 59.102 58.200 -0.262 0.000 1.013 399 S CB -0.520 62.712 63.200 0.054 0.000 0.820 399 S HN 0.390 nan 8.310 nan 0.000 0.476 400 A N 1.527 124.138 122.820 -0.348 0.000 1.902 400 A HA -0.036 4.284 4.320 0.001 0.000 0.217 400 A C 2.476 179.792 177.584 -0.446 0.000 1.181 400 A CA 1.953 53.748 52.037 -0.403 0.000 0.623 400 A CB -1.388 17.403 19.000 -0.347 0.000 0.818 400 A HN 0.629 nan 8.150 nan 0.000 0.443 401 S N -0.345 115.080 115.700 -0.458 0.000 2.356 401 S HA -0.139 4.331 4.470 0.001 0.000 0.223 401 S C 1.954 176.351 174.600 -0.337 0.000 1.032 401 S CA 1.456 59.429 58.200 -0.379 0.000 1.005 401 S CB -0.466 62.540 63.200 -0.323 0.000 0.867 401 S HN 0.375 nan 8.310 nan 0.000 0.449 402 I N 1.739 122.011 120.570 -0.496 0.000 2.118 402 I HA -0.184 3.986 4.170 0.001 0.000 0.241 402 I C 2.398 178.205 176.117 -0.517 0.000 1.070 402 I CA 1.455 62.355 61.300 -0.666 0.000 1.327 402 I CB -1.575 35.630 38.000 -1.325 0.000 1.034 402 I HN 0.369 nan 8.210 nan 0.000 0.405 403 L N -0.340 120.560 121.223 -0.538 0.000 2.072 403 L HA -0.142 4.199 4.340 0.001 0.000 0.205 403 L C 2.600 179.289 176.870 -0.301 0.000 1.079 403 L CA 0.734 55.305 54.840 -0.449 0.000 0.752 403 L CB -0.543 41.164 42.059 -0.587 0.000 0.906 403 L HN 0.009 nan 8.230 nan 0.000 0.436 404 V N -0.447 119.277 119.914 -0.317 0.000 2.407 404 V HA -0.245 3.875 4.120 0.001 0.000 0.245 404 V C 2.109 178.100 176.094 -0.172 0.000 1.041 404 V CA 1.814 63.959 62.300 -0.259 0.000 1.040 404 V CB -0.335 31.280 31.823 -0.346 0.000 0.671 404 V HN 0.429 nan 8.190 nan 0.000 0.455 405 D N 0.552 120.849 120.400 -0.173 0.000 2.104 405 D HA -0.179 4.461 4.640 0.001 0.000 0.194 405 D C 2.142 178.372 176.300 -0.117 0.000 0.994 405 D CA 1.712 55.637 54.000 -0.126 0.000 0.830 405 D CB -0.141 40.607 40.800 -0.086 0.000 0.959 405 D HN 0.354 nan 8.370 nan 0.000 0.452 406 A N -0.563 122.195 122.820 -0.104 0.000 1.851 406 A HA -0.224 4.096 4.320 0.001 0.000 0.216 406 A C 2.322 179.865 177.584 -0.068 0.000 1.195 406 A CA 1.802 53.795 52.037 -0.073 0.000 0.622 406 A CB -1.533 17.422 19.000 -0.075 0.000 0.831 406 A HN 0.512 nan 8.150 nan 0.000 0.444 407 Y N -0.131 120.067 120.300 -0.169 0.000 2.165 407 Y HA -0.225 4.326 4.550 0.001 0.000 0.286 407 Y C 2.260 178.065 175.900 -0.159 0.000 1.155 407 Y CA 2.228 60.234 58.100 -0.156 0.000 1.164 407 Y CB -0.114 38.240 38.460 -0.176 0.000 0.978 407 Y HN 0.229 nan 8.280 nan 0.000 0.513 408 M N -0.242 119.350 119.600 -0.013 0.000 2.557 408 M HA -0.068 4.412 4.480 0.001 0.000 0.259 408 M C 1.067 177.243 176.300 -0.207 0.000 1.086 408 M CA 1.328 56.568 55.300 -0.100 0.000 1.096 408 M CB -0.590 31.939 32.600 -0.119 0.000 1.424 408 M HN 0.168 nan 8.290 nan 0.000 0.488 409 K N -0.238 120.017 120.400 -0.243 0.000 2.440 409 K HA 0.321 4.641 4.320 0.001 0.000 0.206 409 K C 0.800 177.293 176.600 -0.179 0.000 1.025 409 K CA 0.152 56.234 56.287 -0.342 0.000 1.135 409 K CB 0.209 32.413 32.500 -0.493 0.000 0.856 409 K HN 0.416 nan 8.250 nan 0.000 0.502 410 G N 0.828 109.510 108.800 -0.196 0.000 2.153 410 G HA2 -0.230 3.731 3.960 0.001 0.000 0.252 410 G HA3 -0.230 3.731 3.960 0.001 0.000 0.252 410 G C -0.004 174.823 174.900 -0.122 0.000 0.994 410 G CA 0.087 45.085 45.100 -0.170 0.000 0.698 410 G HN 0.165 nan 8.290 nan 0.000 0.521 411 V N 1.091 120.933 119.914 -0.120 0.000 2.284 411 V HA 0.381 4.501 4.120 0.001 0.000 0.260 411 V C 0.437 176.463 176.094 -0.112 0.000 1.084 411 V CA -0.122 62.133 62.300 -0.075 0.000 0.894 411 V CB 0.833 32.639 31.823 -0.028 0.000 1.119 411 V HN 0.326 nan 8.190 nan 0.000 0.484 412 K N 3.667 123.987 120.400 -0.132 0.000 2.394 412 K HA 0.556 4.876 4.320 0.001 0.000 0.260 412 K C -0.216 176.374 176.600 -0.016 0.000 0.967 412 K CA -0.704 55.504 56.287 -0.132 0.000 0.855 412 K CB 2.427 34.735 32.500 -0.319 0.000 1.101 412 K HN 0.522 nan 8.250 nan 0.000 0.433 413 V N -0.260 119.686 119.914 0.053 0.000 2.999 413 V HA -0.016 4.105 4.120 0.001 0.000 0.307 413 V C 0.772 176.907 176.094 0.068 0.000 1.084 413 V CA -0.052 62.283 62.300 0.060 0.000 1.155 413 V CB 0.639 32.504 31.823 0.070 0.000 0.975 413 V HN 0.661 nan 8.190 nan 0.000 0.490 414 D N 1.003 121.440 120.400 0.062 0.000 2.084 414 D HA -0.114 4.527 4.640 0.001 0.000 0.194 414 D C 0.988 177.323 176.300 0.057 0.000 0.990 414 D CA 2.055 56.089 54.000 0.055 0.000 0.826 414 D CB -0.208 40.625 40.800 0.056 0.000 0.971 414 D HN 0.883 nan 8.370 nan 0.000 0.453 415 D N 0.151 120.588 120.400 0.062 0.000 2.619 415 D HA 0.018 4.659 4.640 0.001 0.000 0.224 415 D C 1.108 177.433 176.300 0.042 0.000 1.133 415 D CA -0.291 53.740 54.000 0.051 0.000 1.017 415 D CB -0.017 40.817 40.800 0.057 0.000 1.077 415 D HN -0.079 nan 8.370 nan 0.000 0.503 416 I N 2.718 123.309 120.570 0.035 0.000 2.394 416 I HA -0.153 4.018 4.170 0.001 0.000 0.251 416 I C 2.086 178.195 176.117 -0.013 0.000 1.136 416 I CA 1.358 62.660 61.300 0.003 0.000 1.425 416 I CB -0.067 37.934 38.000 0.001 0.000 1.079 416 I HN 0.207 nan 8.210 nan 0.000 0.425 417 K N -0.285 120.114 120.400 -0.003 0.000 1.991 417 K HA -0.210 4.110 4.320 0.001 0.000 0.212 417 K C 2.003 178.601 176.600 -0.003 0.000 1.049 417 K CA 2.405 58.694 56.287 0.003 0.000 0.932 417 K CB -0.525 31.976 32.500 0.001 0.000 0.717 417 K HN 0.321 nan 8.250 nan 0.000 0.441 418 T N 2.032 116.578 114.554 -0.013 0.000 2.720 418 T HA -0.170 4.180 4.350 0.001 0.000 0.268 418 T C 1.646 176.268 174.700 -0.130 0.000 1.037 418 T CA 1.382 63.443 62.100 -0.065 0.000 1.144 418 T CB -0.333 68.540 68.868 0.008 0.000 0.864 418 T HN 0.236 nan 8.240 nan 0.000 0.444 419 L N 0.433 121.646 121.223 -0.017 0.000 1.971 419 L HA -0.118 4.223 4.340 0.001 0.000 0.215 419 L C 2.099 178.936 176.870 -0.054 0.000 1.072 419 L CA 1.907 56.755 54.840 0.013 0.000 0.758 419 L CB -1.299 40.731 42.059 -0.048 0.000 0.889 419 L HN 0.290 nan 8.230 nan 0.000 0.433 420 Y N 0.707 120.891 120.300 -0.193 0.000 2.114 420 Y HA -0.211 4.339 4.550 0.001 0.000 0.284 420 Y C 2.545 178.332 175.900 -0.187 0.000 1.143 420 Y CA 2.255 60.224 58.100 -0.220 0.000 1.135 420 Y CB -0.263 38.066 38.460 -0.219 0.000 0.980 420 Y HN 0.429 nan 8.280 nan 0.000 0.499 421 E N -0.799 119.314 120.200 -0.145 0.000 2.085 421 E HA -0.197 4.153 4.350 0.001 0.000 0.194 421 E C 2.390 178.795 176.600 -0.325 0.000 0.994 421 E CA 0.980 57.260 56.400 -0.200 0.000 0.801 421 E CB -0.561 29.082 29.700 -0.095 0.000 0.743 421 E HN 0.638 nan 8.360 nan 0.000 0.453 422 G N 1.319 109.776 108.800 -0.571 0.000 2.422 422 G HA2 -0.230 3.730 3.960 0.001 0.000 0.218 422 G HA3 -0.230 3.730 3.960 0.001 0.000 0.218 422 G C 1.594 176.351 174.900 -0.238 0.000 1.146 422 G CA 0.427 44.926 45.100 -1.002 0.000 0.769 422 G HN 0.078 nan 8.290 nan 0.000 0.547 423 L N 0.303 121.462 121.223 -0.106 0.000 2.017 423 L HA -0.074 4.266 4.340 0.001 0.000 0.208 423 L C 2.817 179.539 176.870 -0.247 0.000 1.073 423 L CA 0.465 55.203 54.840 -0.170 0.000 0.745 423 L CB -0.368 41.468 42.059 -0.373 0.000 0.894 423 L HN 0.106 nan 8.230 nan 0.000 0.432 424 I N -0.582 119.770 120.570 -0.363 0.000 2.163 424 I HA -0.350 3.820 4.170 0.001 0.000 0.243 424 I C 2.576 178.615 176.117 -0.130 0.000 1.085 424 I CA 1.640 62.790 61.300 -0.249 0.000 1.347 424 I CB -1.623 36.210 38.000 -0.279 0.000 1.044 424 I HN 0.423 nan 8.210 nan 0.000 0.408 425 H N 1.267 120.215 119.070 -0.202 0.000 2.353 425 H HA -0.179 4.378 4.556 0.001 0.000 0.298 425 H C 2.162 177.387 175.328 -0.171 0.000 1.103 425 H CA 2.064 57.999 56.048 -0.188 0.000 1.293 425 H CB -0.158 29.503 29.762 -0.169 0.000 1.372 425 H HN 0.336 nan 8.280 nan 0.000 0.501 426 G N -0.412 108.375 108.800 -0.021 0.000 2.432 426 G HA2 -0.290 3.671 3.960 0.001 0.000 0.219 426 G HA3 -0.290 3.671 3.960 0.001 0.000 0.219 426 G C 1.886 176.707 174.900 -0.131 0.000 1.135 426 G CA 1.571 46.684 45.100 0.021 0.000 0.767 426 G HN 0.621 nan 8.290 nan 0.000 0.550 427 T N -0.730 113.725 114.554 -0.165 0.000 3.035 427 T HA 0.027 4.378 4.350 0.001 0.000 0.268 427 T C 1.490 176.009 174.700 -0.301 0.000 1.109 427 T CA 1.511 63.509 62.100 -0.171 0.000 1.119 427 T CB -0.107 68.766 68.868 0.008 0.000 0.900 427 T HN 0.621 nan 8.240 nan 0.000 0.503 428 E N -0.016 119.879 120.200 -0.509 0.000 2.921 428 E HA 0.293 4.644 4.350 0.001 0.000 0.203 428 E C -0.507 175.290 176.600 -1.337 0.000 0.975 428 E CA -0.785 55.043 56.400 -0.954 0.000 1.225 428 E CB 0.312 29.728 29.700 -0.473 0.000 1.048 428 E HN 0.296 nan 8.360 nan 0.000 0.477 429 N N 0.641 118.784 118.700 -0.928 0.000 2.329 429 N HA 0.375 5.116 4.740 0.001 0.000 0.282 429 N C -1.908 173.598 175.510 -0.006 0.000 1.198 429 N CA -0.591 52.169 53.050 -0.484 0.000 0.790 429 N CB 2.944 41.115 38.487 -0.527 0.000 1.579 429 N HN 0.000 nan 8.380 nan 0.000 0.475 430 V N 0.966 121.002 119.914 0.203 0.000 2.735 430 V HA 0.257 4.377 4.120 0.001 0.000 0.310 430 V C -0.390 175.739 176.094 0.059 0.000 1.061 430 V CA -0.583 61.815 62.300 0.162 0.000 0.913 430 V CB 1.745 33.680 31.823 0.186 0.000 1.005 430 V HN 0.719 nan 8.190 nan 0.000 0.428 431 H N 7.263 126.040 119.070 -0.488 0.000 2.928 431 H HA 0.184 4.741 4.556 0.001 0.000 0.338 431 H C -1.897 173.334 175.328 -0.161 0.000 1.047 431 H CA -0.619 55.093 56.048 -0.560 0.000 1.435 431 H CB 1.988 31.234 29.762 -0.861 0.000 1.428 431 H HN 0.490 nan 8.280 nan 0.000 0.590 432 P HA -0.043 nan 4.420 nan 0.000 0.223 432 P C 0.481 177.844 177.300 0.106 0.000 1.151 432 P CA 1.208 64.306 63.100 -0.004 0.000 0.787 432 P CB 0.424 32.088 31.700 -0.060 0.000 0.788 433 E N -1.569 118.813 120.200 0.304 0.000 2.434 433 E HA 0.120 4.470 4.350 0.001 0.000 0.207 433 E C -0.200 176.451 176.600 0.086 0.000 0.929 433 E CA 0.203 56.717 56.400 0.190 0.000 1.001 433 E CB 0.805 30.617 29.700 0.187 0.000 1.016 433 E HN -0.034 nan 8.360 nan 0.000 0.502 434 V N 2.794 122.732 119.914 0.040 0.000 2.266 434 V HA 0.030 4.150 4.120 0.001 0.000 0.271 434 V C 1.170 177.203 176.094 -0.102 0.000 1.032 434 V CA -0.123 62.079 62.300 -0.163 0.000 0.806 434 V CB 0.931 32.486 31.823 -0.445 0.000 1.052 434 V HN 0.171 nan 8.190 nan 0.000 0.449 435 S N 2.597 118.279 115.700 -0.031 0.000 2.442 435 S HA -0.159 4.311 4.470 0.001 0.000 0.236 435 S C 1.826 176.433 174.600 0.011 0.000 1.007 435 S CA 1.449 59.651 58.200 0.003 0.000 0.965 435 S CB -0.248 62.965 63.200 0.021 0.000 0.773 435 S HN 0.917 nan 8.310 nan 0.000 0.504 436 S N -0.016 115.683 115.700 -0.000 0.000 2.603 436 S HA 0.155 4.625 4.470 0.001 0.000 0.220 436 S C 0.444 175.067 174.600 0.037 0.000 0.967 436 S CA -0.210 58.020 58.200 0.049 0.000 0.920 436 S CB -0.467 62.780 63.200 0.078 0.000 0.773 436 S HN 0.412 nan 8.310 nan 0.000 0.529 437 T N 2.531 117.030 114.554 -0.093 0.000 2.749 437 T HA 0.653 5.003 4.350 0.001 0.000 0.287 437 T C 0.667 175.220 174.700 -0.244 0.000 0.970 437 T CA 0.237 62.211 62.100 -0.211 0.000 0.980 437 T CB 0.851 69.387 68.868 -0.554 0.000 0.924 437 T HN 0.786 nan 8.240 nan 0.000 0.456 438 G N 3.374 112.180 108.800 0.009 0.000 2.584 438 G HA2 -0.195 3.765 3.960 0.001 0.000 0.229 438 G HA3 -0.195 3.765 3.960 0.001 0.000 0.229 438 G C -0.762 174.207 174.900 0.114 0.000 1.320 438 G CA -0.823 44.375 45.100 0.163 0.000 0.891 438 G HN 0.770 nan 8.290 nan 0.000 0.573 439 R N -0.302 120.252 120.500 0.091 0.000 2.312 439 R HA 0.420 4.760 4.340 0.001 0.000 0.310 439 R C -0.080 176.375 176.300 0.259 0.000 1.064 439 R CA -0.816 55.340 56.100 0.092 0.000 0.983 439 R CB 1.185 31.328 30.300 -0.261 0.000 1.139 439 R HN 0.532 nan 8.270 nan 0.000 0.536 440 L N 2.043 123.426 121.223 0.267 0.000 2.499 440 L HA 0.153 4.494 4.340 0.001 0.000 0.273 440 L C 1.167 178.200 176.870 0.271 0.000 1.195 440 L CA 1.645 56.620 54.840 0.226 0.000 0.882 440 L CB 0.600 42.749 42.059 0.149 0.000 1.133 440 L HN 0.923 nan 8.230 nan 0.000 0.483 441 G N 3.453 112.372 108.800 0.198 0.000 2.143 441 G HA2 -0.400 3.561 3.960 0.001 0.000 0.249 441 G HA3 -0.400 3.561 3.960 0.001 0.000 0.249 441 G C 0.586 175.610 174.900 0.207 0.000 0.981 441 G CA 0.769 46.000 45.100 0.218 0.000 0.665 441 G HN 1.123 nan 8.290 nan 0.000 0.528 442 Y N -0.461 119.924 120.300 0.142 0.000 2.256 442 Y HA 0.009 4.560 4.550 0.001 0.000 0.288 442 Y C 2.186 178.147 175.900 0.102 0.000 1.155 442 Y CA 1.782 59.931 58.100 0.081 0.000 1.203 442 Y CB -0.377 38.060 38.460 -0.037 0.000 0.980 442 Y HN 0.432 nan 8.280 nan 0.000 0.530 443 E N 0.067 119.871 120.200 -0.659 0.000 2.031 443 E HA -0.210 4.141 4.350 0.001 0.000 0.193 443 E C 1.956 178.395 176.600 -0.268 0.000 0.994 443 E CA 1.844 57.940 56.400 -0.508 0.000 0.800 443 E CB -0.542 28.738 29.700 -0.701 0.000 0.752 443 E HN 0.607 nan 8.360 nan 0.000 0.447 444 Y N -0.236 119.980 120.300 -0.141 0.000 2.145 444 Y HA -0.272 4.278 4.550 0.001 0.000 0.286 444 Y C 2.346 178.194 175.900 -0.087 0.000 1.145 444 Y CA 1.662 59.688 58.100 -0.124 0.000 1.148 444 Y CB -0.756 37.635 38.460 -0.115 0.000 0.981 444 Y HN 0.163 nan 8.280 nan 0.000 0.507 445 Y N 1.277 121.631 120.300 0.090 0.000 2.145 445 Y HA -0.280 4.271 4.550 0.001 0.000 0.286 445 Y C 2.051 177.974 175.900 0.038 0.000 1.145 445 Y CA 1.873 60.030 58.100 0.095 0.000 1.148 445 Y CB -0.503 38.094 38.460 0.228 0.000 0.981 445 Y HN 0.062 nan 8.280 nan 0.000 0.507 446 N N 0.387 119.178 118.700 0.151 0.000 2.244 446 N HA -0.149 4.591 4.740 0.001 0.000 0.183 446 N C 1.712 177.175 175.510 -0.079 0.000 1.016 446 N CA 1.432 54.496 53.050 0.024 0.000 0.866 446 N CB -0.311 38.239 38.487 0.105 0.000 0.980 446 N HN 0.438 nan 8.380 nan 0.000 0.430 447 K N 0.358 120.703 120.400 -0.090 0.000 2.067 447 K HA 0.152 4.473 4.320 0.001 0.000 0.203 447 K C 1.509 178.023 176.600 -0.144 0.000 1.048 447 K CA 0.579 56.796 56.287 -0.117 0.000 0.954 447 K CB 0.200 32.618 32.500 -0.136 0.000 0.737 447 K HN 0.056 nan 8.250 nan 0.000 0.444 448 L N -1.472 119.631 121.223 -0.200 0.000 2.515 448 L HA 0.296 4.637 4.340 0.001 0.000 0.223 448 L C 1.141 177.867 176.870 -0.241 0.000 1.079 448 L CA 0.442 55.116 54.840 -0.277 0.000 0.857 448 L CB 0.667 42.407 42.059 -0.533 0.000 1.050 448 L HN 0.535 nan 8.230 nan 0.000 0.476 449 G N 0.380 109.018 108.800 -0.270 0.000 2.175 449 G HA2 -0.300 3.660 3.960 0.001 0.000 0.244 449 G HA3 -0.300 3.660 3.960 0.001 0.000 0.244 449 G C -0.010 174.845 174.900 -0.075 0.000 0.982 449 G CA 0.268 45.224 45.100 -0.240 0.000 0.641 449 G HN 0.467 nan 8.290 nan 0.000 0.527 450 Y N -2.845 117.411 120.300 -0.074 0.000 2.641 450 Y HA 0.648 5.198 4.550 0.000 0.000 0.333 450 Y C -0.529 175.494 175.900 0.204 0.000 1.174 450 Y CA -1.714 56.457 58.100 0.118 0.000 1.057 450 Y CB 0.867 39.351 38.460 0.040 0.000 1.322 450 Y HN 0.386 nan 8.280 nan 0.000 0.457 451 V N 3.539 123.674 119.914 0.369 0.000 2.385 451 V HA 0.397 4.517 4.120 0.001 0.000 0.269 451 V C -2.182 174.003 176.094 0.152 0.000 1.043 451 V CA -1.774 60.631 62.300 0.174 0.000 0.906 451 V CB 0.766 32.678 31.823 0.148 0.000 0.995 451 V HN 0.606 nan 8.190 nan 0.000 0.467 452 P HA 0.068 nan 4.420 nan 0.000 0.272 452 P C 0.117 177.418 177.300 0.002 0.000 1.240 452 P CA -0.082 63.070 63.100 0.086 0.000 0.791 452 P CB 0.576 32.211 31.700 -0.108 0.000 0.978 453 Y N 1.349 121.604 120.300 -0.076 0.000 2.475 453 Y HA -0.040 4.511 4.550 0.001 0.000 0.289 453 Y C 0.770 176.604 175.900 -0.110 0.000 1.121 453 Y CA 1.110 59.141 58.100 -0.115 0.000 1.257 453 Y CB 0.146 38.540 38.460 -0.111 0.000 1.026 453 Y HN 0.260 nan 8.280 nan 0.000 0.555 454 D N 0.049 120.439 120.400 -0.016 0.000 2.891 454 D HA 0.081 4.722 4.640 0.001 0.000 0.312 454 D C 0.044 176.276 176.300 -0.113 0.000 1.354 454 D CA 0.238 54.212 54.000 -0.043 0.000 0.838 454 D CB -0.260 40.583 40.800 0.070 0.000 1.117 454 D HN 0.214 nan 8.370 nan 0.000 0.473 455 V N -3.310 116.484 119.914 -0.200 0.000 3.111 455 V HA 0.367 4.488 4.120 0.001 0.000 0.343 455 V C 0.479 176.470 176.094 -0.171 0.000 1.417 455 V CA -0.795 61.366 62.300 -0.231 0.000 1.142 455 V CB -0.044 31.447 31.823 -0.553 0.000 1.114 455 V HN 0.074 nan 8.190 nan 0.000 0.520 456 K N 0.471 120.784 120.400 -0.145 0.000 3.281 456 K HA -0.159 4.162 4.320 0.001 0.000 0.295 456 K C -0.109 176.431 176.600 -0.100 0.000 1.233 456 K CA 1.112 57.337 56.287 -0.103 0.000 0.866 456 K CB -1.949 30.518 32.500 -0.055 0.000 1.265 456 K HN 0.723 nan 8.250 nan 0.000 0.482 457 I N 2.217 122.700 120.570 -0.144 0.000 2.428 457 I HA 0.140 4.310 4.170 0.001 0.000 0.279 457 I C 0.334 176.363 176.117 -0.147 0.000 1.040 457 I CA -0.769 60.463 61.300 -0.114 0.000 1.171 457 I CB 0.929 38.869 38.000 -0.100 0.000 1.312 457 I HN -0.060 nan 8.210 nan 0.000 0.470 458 N N 5.334 123.967 118.700 -0.112 0.000 2.453 458 N HA 0.044 4.784 4.740 0.001 0.000 0.253 458 N C 0.386 175.802 175.510 -0.156 0.000 1.252 458 N CA 0.313 53.285 53.050 -0.130 0.000 0.917 458 N CB 0.415 38.903 38.487 0.002 0.000 1.117 458 N HN 0.524 nan 8.380 nan 0.000 0.442 459 E N -1.005 119.047 120.200 -0.247 0.000 2.694 459 E HA -0.250 4.100 4.350 0.001 0.000 0.272 459 E C 0.498 176.951 176.600 -0.245 0.000 1.040 459 E CA 0.420 56.667 56.400 -0.254 0.000 0.809 459 E CB -1.502 28.105 29.700 -0.155 0.000 1.389 459 E HN 0.702 nan 8.360 nan 0.000 0.413 460 N N 0.182 118.735 118.700 -0.245 0.000 2.223 460 N HA -0.176 4.564 4.740 0.001 0.000 0.185 460 N C 1.785 177.200 175.510 -0.159 0.000 1.016 460 N CA 1.433 54.380 53.050 -0.172 0.000 0.863 460 N CB -0.084 38.322 38.487 -0.135 0.000 0.983 460 N HN 0.289 nan 8.380 nan 0.000 0.429 461 A N 1.153 123.805 122.820 -0.280 0.000 1.930 461 A HA 0.336 4.657 4.320 0.001 0.000 0.215 461 A C 2.506 179.998 177.584 -0.154 0.000 1.176 461 A CA 1.177 53.068 52.037 -0.242 0.000 0.632 461 A CB -0.592 18.068 19.000 -0.566 0.000 0.819 461 A HN 0.433 nan 8.150 nan 0.000 0.445 462 A N 0.174 122.814 122.820 -0.299 0.000 1.898 462 A HA -0.116 4.205 4.320 0.001 0.000 0.216 462 A C 2.209 179.716 177.584 -0.128 0.000 1.181 462 A CA 1.353 53.163 52.037 -0.379 0.000 0.620 462 A CB -0.469 18.154 19.000 -0.629 0.000 0.819 462 A HN 0.516 nan 8.150 nan 0.000 0.442 463 R N -0.758 119.604 120.500 -0.231 0.000 2.096 463 R HA -0.129 4.212 4.340 0.001 0.000 0.240 463 R C 2.305 178.210 176.300 -0.657 0.000 1.139 463 R CA 2.017 57.801 56.100 -0.527 0.000 0.952 463 R CB -0.976 29.003 30.300 -0.536 0.000 0.854 463 R HN 0.533 nan 8.270 nan 0.000 0.436 464 T N 1.654 116.085 114.554 -0.204 0.000 2.708 464 T HA -0.111 4.239 4.350 0.001 0.000 0.266 464 T C 1.941 176.817 174.700 0.294 0.000 1.037 464 T CA 1.230 63.425 62.100 0.158 0.000 1.146 464 T CB -0.204 68.844 68.868 0.299 0.000 0.865 464 T HN 0.120 nan 8.240 nan 0.000 0.435 465 L N 0.563 121.942 121.223 0.259 0.000 2.046 465 L HA -0.091 4.249 4.340 0.001 0.000 0.208 465 L C 2.742 179.861 176.870 0.415 0.000 1.077 465 L CA 1.462 56.525 54.840 0.371 0.000 0.747 465 L CB -0.539 41.745 42.059 0.374 0.000 0.896 465 L HN 0.309 nan 8.230 nan 0.000 0.432 466 E N -0.977 119.435 120.200 0.353 0.000 2.107 466 E HA -0.196 4.155 4.350 0.001 0.000 0.191 466 E C 2.197 179.015 176.600 0.363 0.000 0.982 466 E CA 0.891 57.526 56.400 0.391 0.000 0.809 466 E CB -0.072 29.850 29.700 0.371 0.000 0.756 466 E HN 0.386 nan 8.360 nan 0.000 0.459 467 Y N 0.847 121.235 120.300 0.147 0.000 2.128 467 Y HA -0.203 4.347 4.550 0.001 0.000 0.284 467 Y C 2.457 178.458 175.900 0.168 0.000 1.154 467 Y CA 0.766 58.862 58.100 -0.007 0.000 1.149 467 Y CB -1.189 36.997 38.460 -0.456 0.000 0.976 467 Y HN 0.039 nan 8.280 nan 0.000 0.505 468 A N -0.540 122.597 122.820 0.527 0.000 1.883 468 A HA -0.281 4.039 4.320 0.001 0.000 0.217 468 A C 2.197 179.931 177.584 0.251 0.000 1.186 468 A CA 1.842 54.184 52.037 0.509 0.000 0.624 468 A CB -1.491 17.881 19.000 0.621 0.000 0.822 468 A HN 0.538 nan 8.150 nan 0.000 0.444 469 Y N 1.431 121.795 120.300 0.106 0.000 2.181 469 Y HA -0.194 4.356 4.550 0.001 0.000 0.288 469 Y C 1.696 177.563 175.900 -0.055 0.000 1.146 469 Y CA 1.865 59.878 58.100 -0.146 0.000 1.164 469 Y CB -0.291 38.253 38.460 0.140 0.000 0.982 469 Y HN 0.367 nan 8.280 nan 0.000 0.515 470 D N 0.187 120.456 120.400 -0.217 0.000 2.178 470 D HA -0.177 4.463 4.640 0.001 0.000 0.201 470 D C 1.599 177.773 176.300 -0.211 0.000 0.980 470 D CA 1.560 55.370 54.000 -0.317 0.000 0.842 470 D CB -0.282 40.444 40.800 -0.123 0.000 0.948 470 D HN 0.487 nan 8.370 nan 0.000 0.472 471 D N -0.466 119.929 120.400 -0.009 0.000 2.149 471 D HA -0.104 4.536 4.640 0.001 0.000 0.201 471 D C 1.858 178.194 176.300 0.061 0.000 0.972 471 D CA 0.300 54.383 54.000 0.138 0.000 0.835 471 D CB -0.384 40.631 40.800 0.359 0.000 0.966 471 D HN 0.322 nan 8.370 nan 0.000 0.476 472 W N 1.509 122.662 121.300 -0.245 0.000 2.338 472 W HA -0.278 4.382 4.660 0.001 0.000 0.304 472 W C 2.232 178.604 176.519 -0.246 0.000 1.212 472 W CA 1.228 58.380 57.345 -0.321 0.000 1.264 472 W CB -0.415 28.709 29.460 -0.560 0.000 1.142 472 W HN -0.042 nan 8.180 nan 0.000 0.512 473 C N 0.291 119.385 119.300 -0.343 0.000 2.432 473 C HA -0.207 4.253 4.460 0.001 0.000 0.277 473 C C 2.700 177.356 174.990 -0.557 0.000 1.249 473 C CA 1.324 60.009 59.018 -0.554 0.000 1.725 473 C CB -1.492 25.943 27.740 -0.509 0.000 2.028 473 C HN 0.373 nan 8.230 nan 0.000 0.477 474 I N -0.234 120.051 120.570 -0.476 0.000 2.226 474 I HA -0.244 3.927 4.170 0.001 0.000 0.245 474 I C 2.475 178.293 176.117 -0.497 0.000 1.100 474 I CA 1.898 62.855 61.300 -0.571 0.000 1.374 474 I CB -0.701 36.781 38.000 -0.864 0.000 1.057 474 I HN 0.420 nan 8.210 nan 0.000 0.413 475 Y N 2.155 122.181 120.300 -0.457 0.000 2.069 475 Y HA -0.353 4.197 4.550 0.001 0.000 0.278 475 Y C 2.798 178.453 175.900 -0.408 0.000 1.175 475 Y CA 1.669 59.584 58.100 -0.309 0.000 1.134 475 Y CB -0.252 38.047 38.460 -0.267 0.000 0.965 475 Y HN -0.039 nan 8.280 nan 0.000 0.498 476 R N 0.103 120.058 120.500 -0.909 0.000 2.096 476 R HA -0.215 4.126 4.340 0.001 0.000 0.240 476 R C 2.257 178.175 176.300 -0.637 0.000 1.139 476 R CA 1.811 57.351 56.100 -0.933 0.000 0.952 476 R CB -1.232 28.466 30.300 -1.004 0.000 0.854 476 R HN 0.476 nan 8.270 nan 0.000 0.436 477 L N 0.532 121.438 121.223 -0.528 0.000 2.109 477 L HA 0.009 4.350 4.340 0.001 0.000 0.207 477 L C 2.254 178.895 176.870 -0.381 0.000 1.086 477 L CA 1.806 56.388 54.840 -0.429 0.000 0.760 477 L CB -0.611 41.203 42.059 -0.408 0.000 0.910 477 L HN 0.125 nan 8.230 nan 0.000 0.437 478 A N -0.629 121.997 122.820 -0.324 0.000 1.933 478 A HA -0.250 4.070 4.320 0.001 0.000 0.218 478 A C 2.428 179.840 177.584 -0.287 0.000 1.175 478 A CA 1.926 53.812 52.037 -0.252 0.000 0.628 478 A CB -0.534 18.428 19.000 -0.064 0.000 0.814 478 A HN 0.468 nan 8.150 nan 0.000 0.444 479 K N -0.351 119.827 120.400 -0.370 0.000 2.025 479 K HA -0.208 4.113 4.320 0.001 0.000 0.207 479 K C 2.076 178.526 176.600 -0.249 0.000 1.049 479 K CA 1.677 57.773 56.287 -0.318 0.000 0.933 479 K CB -0.153 32.060 32.500 -0.479 0.000 0.714 479 K HN 0.409 nan 8.250 nan 0.000 0.438 480 E N 0.536 120.569 120.200 -0.277 0.000 2.097 480 E HA -0.199 4.151 4.350 0.001 0.000 0.196 480 E C 1.564 178.060 176.600 -0.173 0.000 1.000 480 E CA 1.317 57.603 56.400 -0.189 0.000 0.804 480 E CB -0.219 29.381 29.700 -0.165 0.000 0.740 480 E HN 0.200 nan 8.360 nan 0.000 0.454 481 L N 0.891 121.961 121.223 -0.253 0.000 2.551 481 L HA 0.105 4.445 4.340 0.001 0.000 0.228 481 L C 0.462 177.202 176.870 -0.217 0.000 1.153 481 L CA 1.111 55.790 54.840 -0.268 0.000 0.851 481 L CB -0.795 40.995 42.059 -0.448 0.000 0.959 481 L HN 0.212 nan 8.230 nan 0.000 0.451 482 K N -0.022 120.268 120.400 -0.184 0.000 3.150 482 K HA -0.193 4.127 4.320 0.001 0.000 0.267 482 K C -0.032 176.485 176.600 -0.138 0.000 1.028 482 K CA 0.160 56.368 56.287 -0.132 0.000 0.753 482 K CB -0.817 31.627 32.500 -0.094 0.000 1.288 482 K HN 0.166 nan 8.250 nan 0.000 0.473 483 R N 0.014 120.408 120.500 -0.177 0.000 2.827 483 R HA 0.123 4.463 4.340 0.001 0.000 0.269 483 R C -2.145 174.122 176.300 -0.055 0.000 1.048 483 R CA -1.915 54.096 56.100 -0.149 0.000 1.173 483 R CB -0.567 29.628 30.300 -0.175 0.000 1.070 483 R HN 0.020 nan 8.270 nan 0.000 0.498 484 P HA -0.050 nan 4.420 nan 0.000 0.264 484 P C 0.707 178.026 177.300 0.032 0.000 1.183 484 P CA 0.119 63.223 63.100 0.006 0.000 0.763 484 P CB 0.465 32.175 31.700 0.017 0.000 0.807 485 K N 4.206 124.624 120.400 0.030 0.000 2.127 485 K HA -0.278 4.042 4.320 0.001 0.000 0.212 485 K C 1.694 178.335 176.600 0.068 0.000 1.050 485 K CA 2.186 58.502 56.287 0.050 0.000 0.929 485 K CB -0.142 32.381 32.500 0.038 0.000 0.715 485 K HN 0.408 nan 8.250 nan 0.000 0.457 486 K N 0.698 121.130 120.400 0.054 0.000 2.147 486 K HA -0.166 4.154 4.320 0.001 0.000 0.205 486 K C 1.693 178.338 176.600 0.075 0.000 1.049 486 K CA 1.658 57.976 56.287 0.051 0.000 0.936 486 K CB 0.024 32.543 32.500 0.031 0.000 0.722 486 K HN 0.243 nan 8.250 nan 0.000 0.446 487 E N 0.659 120.927 120.200 0.113 0.000 2.028 487 E HA -0.126 4.225 4.350 0.001 0.000 0.190 487 E C 2.099 178.877 176.600 0.296 0.000 0.984 487 E CA 1.368 57.893 56.400 0.208 0.000 0.800 487 E CB -0.113 29.732 29.700 0.241 0.000 0.758 487 E HN 0.313 nan 8.360 nan 0.000 0.448 488 I N 1.094 121.801 120.570 0.228 0.000 2.185 488 I HA -0.333 3.837 4.170 0.001 0.000 0.246 488 I C 2.419 178.738 176.117 0.337 0.000 1.088 488 I CA 1.003 62.469 61.300 0.277 0.000 1.347 488 I CB -0.301 37.804 38.000 0.176 0.000 1.041 488 I HN 0.018 nan 8.210 nan 0.000 0.415 489 S N 0.576 116.401 115.700 0.209 0.000 2.383 489 S HA -0.132 4.338 4.470 0.001 0.000 0.227 489 S C 1.881 176.537 174.600 0.094 0.000 1.026 489 S CA 0.989 59.279 58.200 0.149 0.000 0.981 489 S CB -0.344 62.908 63.200 0.087 0.000 0.818 489 S HN 0.291 nan 8.310 nan 0.000 0.472 490 L N 0.999 122.238 121.223 0.028 0.000 2.012 490 L HA -0.048 4.292 4.340 0.001 0.000 0.210 490 L C 1.723 178.472 176.870 -0.203 0.000 1.073 490 L CA 1.916 56.661 54.840 -0.158 0.000 0.748 490 L CB -0.811 41.044 42.059 -0.340 0.000 0.891 490 L HN 0.246 nan 8.230 nan 0.000 0.431 491 F N -0.655 119.360 119.950 0.107 0.000 2.293 491 F HA 0.064 4.592 4.527 0.001 0.000 0.297 491 F C 2.440 178.299 175.800 0.097 0.000 1.089 491 F CA 0.842 58.907 58.000 0.109 0.000 1.377 491 F CB -1.118 37.944 39.000 0.103 0.000 1.051 491 F HN 0.152 nan 8.300 nan 0.000 0.511 492 A N 0.205 123.173 122.820 0.247 0.000 1.908 492 A HA -0.250 4.071 4.320 0.001 0.000 0.218 492 A C 2.305 180.025 177.584 0.227 0.000 1.181 492 A CA 1.964 54.066 52.037 0.109 0.000 0.627 492 A CB -0.701 18.377 19.000 0.129 0.000 0.818 492 A HN 0.341 nan 8.150 nan 0.000 0.445 493 K N -0.501 119.980 120.400 0.136 0.000 2.001 493 K HA -0.125 4.195 4.320 0.001 0.000 0.208 493 K C 2.260 178.924 176.600 0.106 0.000 1.048 493 K CA 1.327 57.668 56.287 0.091 0.000 0.932 493 K CB -0.220 32.288 32.500 0.015 0.000 0.715 493 K HN 0.411 nan 8.250 nan 0.000 0.437 494 R N 0.029 120.577 120.500 0.081 0.000 2.159 494 R HA -0.094 4.247 4.340 0.001 0.000 0.237 494 R C 2.225 178.685 176.300 0.266 0.000 1.131 494 R CA 1.028 57.194 56.100 0.110 0.000 0.982 494 R CB -0.281 30.085 30.300 0.110 0.000 0.868 494 R HN 0.268 nan 8.270 nan 0.000 0.453 495 A N 0.511 123.515 122.820 0.307 0.000 2.070 495 A HA -0.097 4.223 4.320 0.001 0.000 0.220 495 A C 1.803 179.775 177.584 0.647 0.000 1.159 495 A CA 1.063 53.350 52.037 0.416 0.000 0.656 495 A CB -0.093 19.066 19.000 0.265 0.000 0.800 495 A HN 0.107 nan 8.150 nan 0.000 0.453 496 M N 0.164 120.025 119.600 0.435 0.000 2.561 496 M HA 0.069 4.549 4.480 0.001 0.000 0.238 496 M C 0.844 177.130 176.300 -0.023 0.000 1.131 496 M CA 0.220 55.651 55.300 0.219 0.000 1.046 496 M CB -1.194 31.453 32.600 0.078 0.000 1.532 496 M HN 0.306 nan 8.290 nan 0.000 0.497 497 N N 0.775 119.571 118.700 0.161 0.000 2.348 497 N HA -0.199 4.542 4.740 0.001 0.000 0.185 497 N C 1.491 177.093 175.510 0.154 0.000 1.019 497 N CA 1.077 54.193 53.050 0.110 0.000 0.880 497 N CB -0.527 38.026 38.487 0.109 0.000 0.965 497 N HN 0.625 nan 8.380 nan 0.000 0.437 498 Y N 0.519 120.968 120.300 0.247 0.000 2.256 498 Y HA -0.056 4.494 4.550 0.001 0.000 0.288 498 Y C 1.809 177.803 175.900 0.157 0.000 1.155 498 Y CA 1.032 59.263 58.100 0.218 0.000 1.203 498 Y CB -0.595 37.996 38.460 0.218 0.000 0.980 498 Y HN -0.118 nan 8.280 nan 0.000 0.530 499 K N 0.531 120.597 120.400 -0.557 0.000 2.211 499 K HA -0.160 4.161 4.320 0.001 0.000 0.204 499 K C 1.350 177.928 176.600 -0.037 0.000 1.047 499 K CA 1.374 57.463 56.287 -0.329 0.000 0.935 499 K CB -0.257 31.989 32.500 -0.423 0.000 0.728 499 K HN 0.423 nan 8.250 nan 0.000 0.452 500 N N 0.560 119.248 118.700 -0.020 0.000 2.512 500 N HA -0.064 4.677 4.740 0.001 0.000 0.183 500 N C 1.067 176.527 175.510 -0.083 0.000 1.073 500 N CA 0.854 53.882 53.050 -0.037 0.000 0.911 500 N CB 0.225 38.722 38.487 0.018 0.000 0.964 500 N HN 0.219 nan 8.380 nan 0.000 0.447 501 L N -0.808 120.462 121.223 0.079 0.000 2.906 501 L HA 0.286 4.627 4.340 0.001 0.000 0.255 501 L C -0.121 176.898 176.870 0.248 0.000 1.166 501 L CA -0.364 54.559 54.840 0.138 0.000 0.977 501 L CB 0.159 42.276 42.059 0.098 0.000 1.313 501 L HN -0.071 nan 8.230 nan 0.000 0.549 502 F N 2.035 122.039 119.950 0.091 0.000 2.445 502 F HA 0.191 4.718 4.527 0.001 0.000 0.359 502 F C 0.488 176.166 175.800 -0.204 0.000 1.101 502 F CA -0.658 57.317 58.000 -0.042 0.000 1.177 502 F CB 0.548 39.533 39.000 -0.025 0.000 1.110 502 F HN -0.099 nan 8.300 nan 0.000 0.522 503 D N 6.082 125.789 120.400 -1.156 0.000 2.380 503 D HA 0.140 4.780 4.640 0.001 0.000 0.230 503 D C 0.741 176.378 176.300 -1.105 0.000 1.154 503 D CA -0.127 53.100 54.000 -1.289 0.000 0.859 503 D CB 1.072 41.055 40.800 -1.362 0.000 1.045 503 D HN 0.637 nan 8.370 nan 0.000 0.495 504 K N 2.388 122.437 120.400 -0.586 0.000 2.103 504 K HA -0.213 4.107 4.320 0.001 0.000 0.207 504 K C 1.645 178.106 176.600 -0.230 0.000 1.048 504 K CA 1.749 57.906 56.287 -0.216 0.000 0.930 504 K CB 0.168 32.651 32.500 -0.028 0.000 0.716 504 K HN 0.577 nan 8.250 nan 0.000 0.444 505 E N 0.556 120.582 120.200 -0.290 0.000 2.072 505 E HA -0.137 4.213 4.350 0.001 0.000 0.190 505 E C 1.795 178.275 176.600 -0.200 0.000 0.982 505 E CA 1.592 57.872 56.400 -0.199 0.000 0.803 505 E CB -0.136 29.456 29.700 -0.180 0.000 0.755 505 E HN 0.217 nan 8.360 nan 0.000 0.453 506 S N 0.187 115.702 115.700 -0.308 0.000 2.503 506 S HA 0.125 4.596 4.470 0.001 0.000 0.217 506 S C 0.669 175.075 174.600 -0.325 0.000 0.999 506 S CA 0.041 58.090 58.200 -0.251 0.000 0.914 506 S CB -0.157 62.934 63.200 -0.180 0.000 0.782 506 S HN 0.254 nan 8.310 nan 0.000 0.520 507 K N 0.394 120.518 120.400 -0.459 0.000 3.192 507 K HA -0.118 4.202 4.320 0.001 0.000 0.278 507 K C -0.829 175.444 176.600 -0.546 0.000 1.164 507 K CA 0.654 56.697 56.287 -0.407 0.000 0.816 507 K CB -2.131 30.334 32.500 -0.059 0.000 1.256 507 K HN 0.486 nan 8.250 nan 0.000 0.497 508 L N -0.072 120.685 121.223 -0.778 0.000 2.327 508 L HA 0.532 4.873 4.340 0.001 0.000 0.258 508 L C 0.278 176.807 176.870 -0.568 0.000 1.024 508 L CA -1.438 53.030 54.840 -0.620 0.000 0.825 508 L CB 1.373 43.099 42.059 -0.556 0.000 1.386 508 L HN -0.100 nan 8.230 nan 0.000 0.417 509 M N 1.856 121.284 119.600 -0.286 0.000 2.233 509 M HA 0.361 4.842 4.480 0.001 0.000 0.350 509 M C -0.356 175.974 176.300 0.048 0.000 1.176 509 M CA 0.371 55.637 55.300 -0.057 0.000 1.150 509 M CB 0.654 33.337 32.600 0.138 0.000 1.530 509 M HN 0.509 nan 8.290 nan 0.000 0.459 510 R N 0.468 120.944 120.500 -0.040 0.000 2.566 510 R HA 0.537 4.877 4.340 0.001 0.000 0.271 510 R C -0.293 175.958 176.300 -0.082 0.000 1.071 510 R CA -0.471 55.517 56.100 -0.186 0.000 0.915 510 R CB 1.487 31.253 30.300 -0.890 0.000 1.228 510 R HN 0.893 nan 8.270 nan 0.000 0.449 511 G N 2.557 111.263 108.800 -0.156 0.000 2.474 511 G HA2 0.065 4.025 3.960 0.001 0.000 0.233 511 G HA3 0.065 4.025 3.960 0.001 0.000 0.233 511 G C -0.720 174.073 174.900 -0.178 0.000 1.278 511 G CA -0.168 44.848 45.100 -0.140 0.000 0.861 511 G HN 0.563 nan 8.290 nan 0.000 0.567 512 R N 1.314 121.698 120.500 -0.192 0.000 2.532 512 R HA 0.173 4.514 4.340 0.001 0.000 0.297 512 R C -0.397 175.833 176.300 -0.118 0.000 0.984 512 R CA -0.866 54.997 56.100 -0.394 0.000 0.884 512 R CB 0.923 30.659 30.300 -0.939 0.000 1.182 512 R HN 0.612 nan 8.270 nan 0.000 0.442 513 N N 1.996 120.635 118.700 -0.101 0.000 2.415 513 N HA -0.079 4.661 4.740 0.001 0.000 0.248 513 N C 0.714 176.292 175.510 0.112 0.000 1.271 513 N CA 0.074 53.142 53.050 0.031 0.000 0.913 513 N CB 0.844 39.328 38.487 -0.005 0.000 1.129 513 N HN 0.709 nan 8.380 nan 0.000 0.444 514 E N 0.421 120.672 120.200 0.084 0.000 2.130 514 E HA -0.245 4.105 4.350 0.001 0.000 0.196 514 E C 0.311 176.954 176.600 0.071 0.000 0.998 514 E CA 1.467 57.908 56.400 0.068 0.000 0.806 514 E CB 0.058 29.772 29.700 0.023 0.000 0.738 514 E HN 0.598 nan 8.360 nan 0.000 0.459 515 D N -1.706 118.718 120.400 0.039 0.000 2.363 515 D HA 0.000 4.641 4.640 0.001 0.000 0.226 515 D C 1.274 177.576 176.300 0.004 0.000 1.020 515 D CA 0.974 54.983 54.000 0.017 0.000 0.892 515 D CB 0.282 41.082 40.800 0.001 0.000 0.900 515 D HN 0.343 nan 8.370 nan 0.000 0.531 516 G N -0.279 108.526 108.800 0.008 0.000 2.259 516 G HA2 -0.249 3.711 3.960 0.001 0.000 0.217 516 G HA3 -0.249 3.711 3.960 0.001 0.000 0.217 516 G C 0.515 175.257 174.900 -0.263 0.000 1.001 516 G CA 0.180 45.230 45.100 -0.083 0.000 0.627 516 G HN 0.769 nan 8.290 nan 0.000 0.501 517 T N 0.107 114.552 114.554 -0.182 0.000 2.901 517 T HA 0.577 4.927 4.350 0.001 0.000 0.301 517 T C 0.407 174.939 174.700 -0.280 0.000 1.012 517 T CA -0.425 61.566 62.100 -0.182 0.000 1.135 517 T CB 1.106 69.927 68.868 -0.079 0.000 0.936 517 T HN 0.281 nan 8.240 nan 0.000 0.539 518 F N 1.927 121.755 119.950 -0.202 0.000 2.506 518 F HA 0.179 4.706 4.527 0.001 0.000 0.351 518 F C 1.374 177.004 175.800 -0.284 0.000 1.136 518 F CA -0.284 57.543 58.000 -0.288 0.000 1.298 518 F CB 0.568 39.358 39.000 -0.350 0.000 1.145 518 F HN 0.578 nan 8.300 nan 0.000 0.593 519 Q N 2.683 122.375 119.800 -0.181 0.000 2.274 519 Q HA 0.075 4.415 4.340 0.001 0.000 0.280 519 Q C -1.013 174.862 176.000 -0.208 0.000 1.047 519 Q CA 0.470 56.060 55.803 -0.355 0.000 0.907 519 Q CB 0.737 28.930 28.738 -0.907 0.000 1.171 519 Q HN 0.704 nan 8.270 nan 0.000 0.381 520 S N 5.009 120.632 115.700 -0.129 0.000 2.542 520 S HA 0.648 5.118 4.470 0.001 0.000 0.293 520 S C -2.354 172.237 174.600 -0.014 0.000 1.089 520 S CA -0.985 57.191 58.200 -0.039 0.000 0.961 520 S CB 1.652 64.841 63.200 -0.019 0.000 1.062 520 S HN 0.641 nan 8.310 nan 0.000 0.483 521 P HA 0.401 nan 4.420 nan 0.000 0.278 521 P C -1.343 176.009 177.300 0.087 0.000 1.238 521 P CA -0.386 62.740 63.100 0.043 0.000 0.794 521 P CB 0.379 32.098 31.700 0.032 0.000 0.955 522 F N 1.350 121.253 119.950 -0.079 0.000 2.426 522 F HA 0.465 4.992 4.527 0.000 0.000 0.348 522 F C -0.327 175.443 175.800 -0.049 0.000 1.124 522 F CA -0.648 57.296 58.000 -0.093 0.000 1.008 522 F CB 1.530 40.445 39.000 -0.141 0.000 1.139 522 F HN 0.228 nan 8.300 nan 0.000 0.452 523 S N 8.079 123.429 115.700 -0.583 0.000 2.596 523 S HA 0.427 4.898 4.470 0.001 0.000 0.318 523 S C -1.717 172.417 174.600 -0.776 0.000 1.097 523 S CA -1.605 56.246 58.200 -0.582 0.000 1.080 523 S CB 1.215 64.300 63.200 -0.192 0.000 0.991 523 S HN 0.563 nan 8.310 nan 0.000 0.471 524 P HA -0.021 nan 4.420 nan 0.000 0.225 524 P C 0.805 178.020 177.300 -0.142 0.000 1.148 524 P CA 0.776 63.536 63.100 -0.566 0.000 0.779 524 P CB 0.135 31.566 31.700 -0.448 0.000 0.780 525 L N -1.282 119.933 121.223 -0.014 0.000 2.607 525 L HA 0.190 4.530 4.340 0.001 0.000 0.228 525 L C 1.350 178.376 176.870 0.260 0.000 1.123 525 L CA -0.191 54.739 54.840 0.149 0.000 0.890 525 L CB -0.197 41.963 42.059 0.169 0.000 1.103 525 L HN -0.140 nan 8.230 nan 0.000 0.468 526 K N 0.591 121.097 120.400 0.177 0.000 2.379 526 K HA 0.026 4.346 4.320 0.001 0.000 0.284 526 K C -1.027 175.809 176.600 0.395 0.000 1.044 526 K CA -0.458 56.008 56.287 0.297 0.000 0.974 526 K CB 0.482 33.090 32.500 0.181 0.000 0.962 526 K HN -0.106 nan 8.250 nan 0.000 0.474 527 W N 3.398 124.852 121.300 0.257 0.000 2.313 527 W HA 0.378 5.038 4.660 0.001 0.000 0.328 527 W C 0.984 177.661 176.519 0.265 0.000 1.197 527 W CA 1.064 58.608 57.345 0.331 0.000 1.235 527 W CB 0.802 30.511 29.460 0.416 0.000 1.158 527 W HN 1.008 nan 8.180 nan 0.000 0.578 528 G N 1.909 110.949 108.800 0.401 0.000 2.539 528 G HA2 -0.310 3.651 3.960 0.001 0.000 0.256 528 G HA3 -0.310 3.651 3.960 0.001 0.000 0.256 528 G C 0.491 175.056 174.900 -0.558 0.000 1.233 528 G CA 1.082 46.089 45.100 -0.155 0.000 0.936 528 G HN 0.778 nan 8.290 nan 0.000 0.571 529 D N -2.450 116.997 120.400 -1.589 0.000 4.508 529 D HA -0.214 4.427 4.640 0.001 0.000 0.178 529 D C 2.160 178.115 176.300 -0.576 0.000 0.644 529 D CA 4.303 57.710 54.000 -0.988 0.000 1.244 529 D CB -1.559 39.012 40.800 -0.381 0.000 0.727 529 D HN 1.867 nan 8.370 nan 0.000 0.495 530 A N -0.579 121.997 122.820 -0.406 0.000 2.014 530 A HA 0.250 4.570 4.320 0.001 0.000 0.218 530 A C 1.138 178.218 177.584 -0.839 0.000 1.163 530 A CA 1.417 53.101 52.037 -0.589 0.000 0.652 530 A CB -0.301 18.298 19.000 -0.669 0.000 0.808 530 A HN 0.260 nan 8.150 nan 0.000 0.449 531 F N -1.323 118.497 119.950 -0.217 0.000 2.631 531 F HA 0.532 5.059 4.527 0.001 0.000 0.350 531 F C 0.675 176.376 175.800 -0.166 0.000 1.080 531 F CA -0.442 57.394 58.000 -0.273 0.000 1.026 531 F CB 1.170 40.078 39.000 -0.153 0.000 1.347 531 F HN -0.138 nan 8.300 nan 0.000 0.501 532 T N -1.801 112.873 114.554 0.200 0.000 2.809 532 T HA 0.376 4.726 4.350 0.001 0.000 0.296 532 T C -0.594 174.377 174.700 0.451 0.000 1.015 532 T CA -0.522 61.744 62.100 0.276 0.000 0.954 532 T CB 0.510 69.469 68.868 0.151 0.000 0.950 532 T HN 0.702 nan 8.240 nan 0.000 0.450 533 E N 1.572 122.045 120.200 0.456 0.000 2.297 533 E HA -0.149 4.201 4.350 0.001 0.000 0.228 533 E C 0.407 177.178 176.600 0.285 0.000 1.213 533 E CA 0.697 57.359 56.400 0.437 0.000 0.712 533 E CB -1.627 28.214 29.700 0.235 0.000 1.202 533 E HN 1.208 nan 8.360 nan 0.000 0.376 534 G N 0.060 108.934 108.800 0.125 0.000 2.451 534 G HA2 0.430 4.391 3.960 0.001 0.000 0.292 534 G HA3 0.430 4.391 3.960 0.001 0.000 0.292 534 G C -1.159 173.496 174.900 -0.408 0.000 1.427 534 G CA -0.339 44.519 45.100 -0.402 0.000 0.792 534 G HN 0.127 nan 8.290 nan 0.000 0.498 535 N N -1.628 116.661 118.700 -0.684 0.000 2.906 535 N HA 0.575 5.316 4.740 0.001 0.000 0.327 535 N C 1.269 176.270 175.510 -0.849 0.000 1.344 535 N CA 0.142 52.845 53.050 -0.578 0.000 0.823 535 N CB 1.104 39.281 38.487 -0.518 0.000 1.351 535 N HN 0.467 nan 8.380 nan 0.000 0.604 536 S N -1.425 113.788 115.700 -0.811 0.000 2.399 536 S HA -0.073 4.397 4.470 0.001 0.000 0.231 536 S C 0.963 175.154 174.600 -0.681 0.000 1.022 536 S CA 0.854 58.508 58.200 -0.911 0.000 0.983 536 S CB -0.600 62.364 63.200 -0.394 0.000 0.803 536 S HN 0.555 nan 8.310 nan 0.000 0.480 537 W N 0.934 121.916 121.300 -0.529 0.000 2.421 537 W HA -0.018 4.642 4.660 0.000 0.000 0.270 537 W C 2.164 178.560 176.519 -0.205 0.000 1.233 537 W CA 1.138 58.261 57.345 -0.370 0.000 1.226 537 W CB -0.240 29.010 29.460 -0.350 0.000 1.121 537 W HN 0.585 nan 8.180 nan 0.000 0.579 538 H N -3.782 115.246 119.070 -0.070 0.000 2.418 538 H HA -0.016 4.540 4.556 0.001 0.000 0.300 538 H C 1.411 176.645 175.328 -0.157 0.000 1.041 538 H CA 1.147 57.133 56.048 -0.103 0.000 1.364 538 H CB -0.402 29.175 29.762 -0.308 0.000 1.439 538 H HN 0.053 nan 8.280 nan 0.000 0.540 539 Y N 0.886 121.028 120.300 -0.263 0.000 2.475 539 Y HA -0.118 4.433 4.550 0.001 0.000 0.289 539 Y C 2.372 178.119 175.900 -0.255 0.000 1.121 539 Y CA 0.743 58.706 58.100 -0.228 0.000 1.257 539 Y CB 0.253 38.513 38.460 -0.334 0.000 1.026 539 Y HN 0.131 nan 8.280 nan 0.000 0.555 540 T N -0.715 113.598 114.554 -0.402 0.000 2.737 540 T HA -0.260 4.090 4.350 0.001 0.000 0.269 540 T C 0.986 175.365 174.700 -0.535 0.000 1.040 540 T CA 1.849 63.613 62.100 -0.559 0.000 1.142 540 T CB -0.522 67.782 68.868 -0.940 0.000 0.861 540 T HN 0.517 nan 8.240 nan 0.000 0.456 541 W N 1.532 122.783 121.300 -0.082 0.000 2.961 541 W HA 0.192 4.853 4.660 0.001 0.000 0.240 541 W C 1.298 177.740 176.519 -0.129 0.000 1.305 541 W CA -0.444 56.839 57.345 -0.102 0.000 1.465 541 W CB -0.454 28.882 29.460 -0.207 0.000 1.135 541 W HN -0.024 nan 8.180 nan 0.000 0.688 542 S N 1.112 116.772 115.700 -0.067 0.000 4.069 542 S HA 0.198 4.669 4.470 0.001 0.000 0.192 542 S C 0.246 174.601 174.600 -0.409 0.000 1.441 542 S CA 0.036 58.005 58.200 -0.385 0.000 0.994 542 S CB -0.430 62.812 63.200 0.069 0.000 1.456 542 S HN -0.036 nan 8.310 nan 0.000 0.458 543 V N 2.514 122.098 119.914 -0.550 0.000 2.562 543 V HA 0.208 4.328 4.120 0.001 0.000 0.274 543 V C 0.463 176.277 176.094 -0.465 0.000 1.075 543 V CA -0.458 61.561 62.300 -0.467 0.000 1.204 543 V CB -0.698 30.729 31.823 -0.660 0.000 1.478 543 V HN 0.592 nan 8.190 nan 0.000 0.622 544 F N 0.682 120.498 119.950 -0.224 0.000 2.120 544 F HA -0.232 4.295 4.527 0.001 0.000 0.300 544 F C 2.598 178.244 175.800 -0.257 0.000 1.095 544 F CA 2.246 60.057 58.000 -0.314 0.000 1.249 544 F CB -0.540 38.093 39.000 -0.612 0.000 0.995 544 F HN 0.624 nan 8.300 nan 0.000 0.480 545 H N -1.945 117.007 119.070 -0.196 0.000 2.535 545 H HA 0.099 4.655 4.556 0.001 0.000 0.273 545 H C -0.095 175.065 175.328 -0.281 0.000 0.983 545 H CA 1.198 56.949 56.048 -0.496 0.000 1.238 545 H CB -0.269 28.849 29.762 -1.073 0.000 1.412 545 H HN 0.226 nan 8.280 nan 0.000 0.562 546 D N 0.320 120.300 120.400 -0.700 0.000 2.968 546 D HA 0.228 4.868 4.640 0.001 0.000 0.301 546 D C -2.083 173.910 176.300 -0.512 0.000 1.226 546 D CA -1.887 51.782 54.000 -0.553 0.000 0.746 546 D CB 0.943 41.410 40.800 -0.555 0.000 1.278 546 D HN 0.010 nan 8.370 nan 0.000 0.544 547 P HA -0.151 nan 4.420 nan 0.000 0.217 547 P C 1.400 178.452 177.300 -0.413 0.000 1.150 547 P CA 0.954 63.744 63.100 -0.517 0.000 0.832 547 P CB 0.479 31.613 31.700 -0.942 0.000 0.787 548 Q N 0.199 119.822 119.800 -0.296 0.000 2.061 548 Q HA -0.117 4.224 4.340 0.001 0.000 0.204 548 Q C 2.227 178.101 176.000 -0.209 0.000 0.984 548 Q CA 2.399 58.065 55.803 -0.227 0.000 0.846 548 Q CB -1.629 27.021 28.738 -0.147 0.000 0.902 548 Q HN 0.167 nan 8.270 nan 0.000 0.421 549 G N 0.711 109.410 108.800 -0.167 0.000 2.469 549 G HA2 -0.289 3.671 3.960 0.001 0.000 0.219 549 G HA3 -0.289 3.671 3.960 0.001 0.000 0.219 549 G C 1.349 176.196 174.900 -0.087 0.000 1.150 549 G CA 1.107 46.168 45.100 -0.065 0.000 0.763 549 G HN 0.427 nan 8.290 nan 0.000 0.561 550 L N 0.598 121.727 121.223 -0.157 0.000 2.093 550 L HA 0.151 4.491 4.340 0.001 0.000 0.208 550 L C 2.668 179.460 176.870 -0.129 0.000 1.085 550 L CA 1.157 55.917 54.840 -0.134 0.000 0.755 550 L CB -0.307 41.702 42.059 -0.083 0.000 0.904 550 L HN 0.276 nan 8.230 nan 0.000 0.435 551 I N -0.302 120.100 120.570 -0.281 0.000 2.208 551 I HA -0.304 3.867 4.170 0.001 0.000 0.245 551 I C 1.950 177.992 176.117 -0.125 0.000 1.097 551 I CA 1.362 62.478 61.300 -0.308 0.000 1.363 551 I CB -0.510 37.170 38.000 -0.533 0.000 1.051 551 I HN 0.302 nan 8.210 nan 0.000 0.413 552 D N 0.840 121.151 120.400 -0.148 0.000 2.097 552 D HA -0.140 4.500 4.640 0.001 0.000 0.195 552 D C 2.330 178.540 176.300 -0.149 0.000 0.989 552 D CA 1.199 55.129 54.000 -0.116 0.000 0.827 552 D CB -0.376 40.356 40.800 -0.113 0.000 0.966 552 D HN 0.284 nan 8.370 nan 0.000 0.456 553 L N 0.027 121.081 121.223 -0.281 0.000 2.079 553 L HA -0.113 4.227 4.340 0.001 0.000 0.210 553 L C 2.383 179.033 176.870 -0.367 0.000 1.081 553 L CA 0.886 55.388 54.840 -0.564 0.000 0.752 553 L CB -0.269 41.023 42.059 -1.279 0.000 0.896 553 L HN 0.035 nan 8.230 nan 0.000 0.433 554 M N -1.211 118.316 119.600 -0.121 0.000 2.595 554 M HA 0.098 4.578 4.480 0.001 0.000 0.248 554 M C 1.213 177.591 176.300 0.130 0.000 1.119 554 M CA 0.874 56.270 55.300 0.159 0.000 1.079 554 M CB 0.249 33.007 32.600 0.262 0.000 1.472 554 M HN 0.433 nan 8.290 nan 0.000 0.501 555 G N 0.847 109.682 108.800 0.059 0.000 2.134 555 G HA2 0.011 3.971 3.960 0.001 0.000 0.209 555 G HA3 0.011 3.971 3.960 0.001 0.000 0.209 555 G C 0.280 175.216 174.900 0.060 0.000 0.993 555 G CA -0.191 44.943 45.100 0.056 0.000 0.669 555 G HN 0.895 nan 8.290 nan 0.000 0.519 556 G N -0.751 108.084 108.800 0.058 0.000 2.440 556 G HA2 0.395 4.356 3.960 0.001 0.000 0.684 556 G HA3 0.395 4.356 3.960 0.001 0.000 0.684 556 G C 0.608 175.574 174.900 0.110 0.000 1.309 556 G CA 0.370 45.503 45.100 0.056 0.000 0.931 556 G HN 1.314 nan 8.290 nan 0.000 0.612 557 K N -0.185 120.269 120.400 0.089 0.000 2.209 557 K HA -0.019 4.301 4.320 0.001 0.000 0.204 557 K C 1.727 178.466 176.600 0.232 0.000 1.048 557 K CA 1.754 58.126 56.287 0.141 0.000 0.940 557 K CB 0.190 32.742 32.500 0.087 0.000 0.729 557 K HN 0.530 nan 8.250 nan 0.000 0.451 558 E N 0.937 121.245 120.200 0.179 0.000 2.072 558 E HA -0.062 4.288 4.350 0.001 0.000 0.190 558 E C 2.064 178.781 176.600 0.196 0.000 0.982 558 E CA 0.789 57.296 56.400 0.177 0.000 0.803 558 E CB 0.021 29.801 29.700 0.134 0.000 0.755 558 E HN 0.368 nan 8.360 nan 0.000 0.453 559 M N -0.216 119.500 119.600 0.192 0.000 2.229 559 M HA -0.092 4.389 4.480 0.001 0.000 0.264 559 M C 2.014 178.466 176.300 0.254 0.000 1.063 559 M CA 0.962 56.378 55.300 0.193 0.000 1.114 559 M CB -0.163 32.535 32.600 0.163 0.000 1.387 559 M HN 0.156 nan 8.290 nan 0.000 0.420 560 F N 0.370 120.404 119.950 0.140 0.000 2.102 560 F HA -0.206 4.322 4.527 0.001 0.000 0.298 560 F C 2.025 177.942 175.800 0.195 0.000 1.105 560 F CA 1.454 59.559 58.000 0.175 0.000 1.239 560 F CB -0.146 38.936 39.000 0.136 0.000 0.991 560 F HN -0.224 nan 8.300 nan 0.000 0.474 561 V N -0.047 120.053 119.914 0.309 0.000 2.343 561 V HA -0.333 3.787 4.120 0.001 0.000 0.247 561 V C 2.300 178.506 176.094 0.188 0.000 1.051 561 V CA 2.425 64.871 62.300 0.244 0.000 1.036 561 V CB -1.127 30.874 31.823 0.297 0.000 0.654 561 V HN 0.443 nan 8.190 nan 0.000 0.451 562 T N -0.449 114.214 114.554 0.182 0.000 2.720 562 T HA -0.292 4.059 4.350 0.001 0.000 0.268 562 T C 1.875 176.677 174.700 0.170 0.000 1.037 562 T CA 2.154 64.354 62.100 0.166 0.000 1.144 562 T CB -0.328 68.631 68.868 0.153 0.000 0.864 562 T HN 0.259 nan 8.240 nan 0.000 0.444 563 M N 0.591 120.297 119.600 0.176 0.000 2.086 563 M HA 0.085 4.566 4.480 0.001 0.000 0.261 563 M C 2.171 178.637 176.300 0.278 0.000 1.067 563 M CA 1.570 57.031 55.300 0.269 0.000 1.116 563 M CB -0.519 32.225 32.600 0.241 0.000 1.348 563 M HN 0.196 nan 8.290 nan 0.000 0.407 564 M N -0.516 119.080 119.600 -0.007 0.000 2.080 564 M HA -0.253 4.227 4.480 0.001 0.000 0.260 564 M C 1.557 177.820 176.300 -0.060 0.000 1.068 564 M CA 1.680 56.767 55.300 -0.356 0.000 1.109 564 M CB -0.907 31.224 32.600 -0.782 0.000 1.342 564 M HN 0.166 nan 8.290 nan 0.000 0.405 565 D N 0.255 120.752 120.400 0.162 0.000 2.182 565 D HA -0.132 4.508 4.640 0.001 0.000 0.201 565 D C 2.124 178.519 176.300 0.159 0.000 0.986 565 D CA 1.821 55.985 54.000 0.274 0.000 0.847 565 D CB -0.262 40.690 40.800 0.252 0.000 0.942 565 D HN 0.401 nan 8.370 nan 0.000 0.467 566 S N -0.302 115.437 115.700 0.065 0.000 2.436 566 S HA -0.066 4.404 4.470 0.001 0.000 0.228 566 S C 2.155 176.574 174.600 -0.302 0.000 1.014 566 S CA 0.491 58.651 58.200 -0.066 0.000 0.950 566 S CB -0.301 62.882 63.200 -0.028 0.000 0.784 566 S HN 0.060 nan 8.310 nan 0.000 0.504 567 V N 1.270 120.991 119.914 -0.323 0.000 2.278 567 V HA -0.211 3.909 4.120 0.001 0.000 0.251 567 V C 2.248 178.022 176.094 -0.534 0.000 1.062 567 V CA 2.350 64.356 62.300 -0.491 0.000 1.038 567 V CB -1.190 30.322 31.823 -0.519 0.000 0.646 567 V HN 0.552 nan 8.190 nan 0.000 0.447 568 F N 0.504 120.265 119.950 -0.314 0.000 2.293 568 F HA 0.025 4.553 4.527 0.001 0.000 0.300 568 F C 2.304 178.018 175.800 -0.143 0.000 1.086 568 F CA 1.156 58.956 58.000 -0.333 0.000 1.375 568 F CB -0.767 37.828 39.000 -0.675 0.000 1.045 568 F HN 0.111 nan 8.300 nan 0.000 0.516 569 A N 0.008 122.845 122.820 0.028 0.000 2.081 569 A HA 0.183 4.504 4.320 0.001 0.000 0.214 569 A C 0.798 178.352 177.584 -0.050 0.000 1.158 569 A CA 0.514 52.568 52.037 0.028 0.000 0.724 569 A CB -0.885 18.139 19.000 0.041 0.000 0.826 569 A HN 0.066 nan 8.150 nan 0.000 0.463 570 V N -1.903 117.913 119.914 -0.164 0.000 2.461 570 V HA 0.468 4.588 4.120 0.001 0.000 0.275 570 V C -2.923 173.099 176.094 -0.120 0.000 1.047 570 V CA -2.880 59.301 62.300 -0.197 0.000 0.955 570 V CB 0.522 32.101 31.823 -0.406 0.000 0.988 570 V HN 0.074 nan 8.190 nan 0.000 0.471 571 P HA 0.084 nan 4.420 nan 0.000 0.263 571 P C -2.317 174.993 177.300 0.015 0.000 1.168 571 P CA -0.553 62.543 63.100 -0.007 0.000 0.759 571 P CB -0.131 31.568 31.700 -0.002 0.000 0.782 572 P HA 0.087 nan 4.420 nan 0.000 0.228 572 P C 0.007 177.445 177.300 0.230 0.000 1.748 572 P CA -0.135 63.049 63.100 0.141 0.000 0.909 572 P CB -0.709 31.074 31.700 0.138 0.000 1.882 573 I N -0.269 120.393 120.570 0.154 0.000 2.720 573 I HA 0.561 4.731 4.170 0.001 0.000 0.287 573 I C -0.451 175.816 176.117 0.250 0.000 1.090 573 I CA -0.481 60.890 61.300 0.118 0.000 1.384 573 I CB 0.121 38.112 38.000 -0.014 0.000 1.420 573 I HN -0.012 nan 8.210 nan 0.000 0.575 574 F N 2.193 122.192 119.950 0.082 0.000 2.654 574 F HA 0.601 5.128 4.527 0.000 0.000 0.308 574 F C -1.515 174.345 175.800 0.099 0.000 1.108 574 F CA -1.146 56.935 58.000 0.136 0.000 0.957 574 F CB 1.052 40.046 39.000 -0.011 0.000 1.309 574 F HN 0.534 nan 8.300 nan 0.000 0.446 575 D N 1.788 122.382 120.400 0.322 0.000 2.425 575 D HA 0.225 4.865 4.640 0.001 0.000 0.240 575 D C -0.486 176.051 176.300 0.394 0.000 1.080 575 D CA -0.399 53.737 54.000 0.226 0.000 0.836 575 D CB 1.403 42.304 40.800 0.168 0.000 1.125 575 D HN 0.720 nan 8.370 nan 0.000 0.525 576 D N 1.208 121.831 120.400 0.372 0.000 2.402 576 D HA -0.056 4.585 4.640 0.001 0.000 0.216 576 D C 1.120 177.615 176.300 0.325 0.000 1.128 576 D CA -0.075 54.163 54.000 0.395 0.000 0.833 576 D CB -0.100 40.917 40.800 0.362 0.000 0.971 576 D HN 0.204 nan 8.370 nan 0.000 0.503 577 S N -0.467 115.379 115.700 0.244 0.000 2.419 577 S HA -0.256 4.214 4.470 0.001 0.000 0.233 577 S C 1.923 176.610 174.600 0.146 0.000 1.016 577 S CA 0.463 58.763 58.200 0.166 0.000 0.974 577 S CB -1.002 62.273 63.200 0.126 0.000 0.786 577 S HN 0.391 nan 8.310 nan 0.000 0.492 578 Y N 1.598 121.910 120.300 0.019 0.000 2.274 578 Y HA -0.098 4.452 4.550 0.001 0.000 0.290 578 Y C 1.632 177.380 175.900 -0.254 0.000 1.145 578 Y CA 1.222 59.227 58.100 -0.159 0.000 1.203 578 Y CB -0.360 37.930 38.460 -0.282 0.000 0.984 578 Y HN 0.279 nan 8.280 nan 0.000 0.533 579 Y N -0.767 119.571 120.300 0.062 0.000 2.503 579 Y HA 0.264 4.815 4.550 0.001 0.000 0.278 579 Y C 2.056 177.938 175.900 -0.029 0.000 1.111 579 Y CA 0.440 58.515 58.100 -0.041 0.000 1.270 579 Y CB -0.251 38.232 38.460 0.040 0.000 1.063 579 Y HN 0.096 nan 8.280 nan 0.000 0.548 580 G N 1.128 110.015 108.800 0.147 0.000 2.221 580 G HA2 -0.230 3.730 3.960 0.001 0.000 0.265 580 G HA3 -0.230 3.730 3.960 0.001 0.000 0.265 580 G C -0.228 174.740 174.900 0.114 0.000 1.041 580 G CA 0.574 45.735 45.100 0.101 0.000 0.807 580 G HN 0.545 nan 8.290 nan 0.000 0.502 581 Q N -3.374 116.511 119.800 0.141 0.000 2.903 581 Q HA 0.436 4.776 4.340 0.001 0.000 0.277 581 Q C -0.777 175.256 176.000 0.055 0.000 0.933 581 Q CA -1.090 54.777 55.803 0.106 0.000 0.822 581 Q CB 0.741 29.547 28.738 0.113 0.000 1.693 581 Q HN 0.546 nan 8.270 nan 0.000 0.447 582 V N 3.049 122.972 119.914 0.014 0.000 2.302 582 V HA 0.136 4.257 4.120 0.001 0.000 0.244 582 V C 0.850 176.806 176.094 -0.229 0.000 1.160 582 V CA -0.141 62.072 62.300 -0.146 0.000 1.127 582 V CB -1.458 30.301 31.823 -0.107 0.000 1.253 582 V HN 0.659 nan 8.190 nan 0.000 0.496 583 I N 1.239 121.599 120.570 -0.350 0.000 2.872 583 I HA 0.102 4.272 4.170 0.001 0.000 0.291 583 I C 1.781 177.616 176.117 -0.469 0.000 1.216 583 I CA -0.067 60.973 61.300 -0.433 0.000 1.424 583 I CB 0.304 37.911 38.000 -0.655 0.000 1.351 583 I HN 0.752 nan 8.210 nan 0.000 0.592 584 H N 2.478 121.316 119.070 -0.387 0.000 2.422 584 H HA -0.157 4.400 4.556 0.001 0.000 0.298 584 H C 1.434 176.607 175.328 -0.259 0.000 1.098 584 H CA 1.851 57.734 56.048 -0.275 0.000 1.315 584 H CB -0.375 29.282 29.762 -0.175 0.000 1.382 584 H HN 0.769 nan 8.280 nan 0.000 0.523 585 E N 0.667 120.351 120.200 -0.860 0.000 2.110 585 E HA -0.056 4.294 4.350 0.001 0.000 0.193 585 E C 2.088 178.437 176.600 -0.419 0.000 0.988 585 E CA 1.375 57.479 56.400 -0.492 0.000 0.804 585 E CB -0.097 29.393 29.700 -0.349 0.000 0.745 585 E HN 0.614 nan 8.360 nan 0.000 0.458 586 I N 0.158 120.244 120.570 -0.807 0.000 2.202 586 I HA -0.238 3.932 4.170 0.001 0.000 0.242 586 I C 2.436 178.167 176.117 -0.643 0.000 1.091 586 I CA 0.872 61.499 61.300 -1.121 0.000 1.368 586 I CB -0.093 36.968 38.000 -1.565 0.000 1.058 586 I HN -0.003 nan 8.210 nan 0.000 0.410 587 R N 1.475 121.685 120.500 -0.484 0.000 2.091 587 R HA -0.201 4.140 4.340 0.001 0.000 0.238 587 R C 2.016 178.223 176.300 -0.154 0.000 1.136 587 R CA 1.741 57.675 56.100 -0.277 0.000 0.959 587 R CB -0.408 29.789 30.300 -0.172 0.000 0.856 587 R HN 0.346 nan 8.270 nan 0.000 0.437 588 E N -0.284 119.844 120.200 -0.120 0.000 2.097 588 E HA -0.278 4.073 4.350 0.001 0.000 0.196 588 E C 1.955 178.527 176.600 -0.047 0.000 1.000 588 E CA 1.871 58.240 56.400 -0.051 0.000 0.804 588 E CB -0.253 29.435 29.700 -0.020 0.000 0.740 588 E HN 0.390 nan 8.360 nan 0.000 0.454 589 M N 0.770 120.331 119.600 -0.065 0.000 2.086 589 M HA -0.183 4.297 4.480 0.001 0.000 0.261 589 M C 2.443 178.750 176.300 0.010 0.000 1.067 589 M CA 2.194 57.490 55.300 -0.007 0.000 1.116 589 M CB -0.362 32.294 32.600 0.093 0.000 1.348 589 M HN 0.233 nan 8.290 nan 0.000 0.407 590 T N -1.395 113.144 114.554 -0.026 0.000 2.833 590 T HA -0.095 4.255 4.350 0.001 0.000 0.269 590 T C 1.530 176.248 174.700 0.030 0.000 1.054 590 T CA 1.534 63.645 62.100 0.019 0.000 1.135 590 T CB -1.446 67.428 68.868 0.010 0.000 0.869 590 T HN 0.463 nan 8.240 nan 0.000 0.466 591 V N -0.933 118.988 119.914 0.012 0.000 2.871 591 V HA 0.174 4.294 4.120 0.001 0.000 0.256 591 V C 2.540 178.655 176.094 0.035 0.000 1.082 591 V CA 1.090 63.404 62.300 0.023 0.000 1.105 591 V CB -1.146 30.685 31.823 0.013 0.000 0.713 591 V HN 0.380 nan 8.190 nan 0.000 0.473 592 M N 0.522 120.146 119.600 0.041 0.000 2.319 592 M HA 0.070 4.551 4.480 0.001 0.000 0.265 592 M C 1.283 177.632 176.300 0.083 0.000 1.068 592 M CA 1.301 56.637 55.300 0.059 0.000 1.118 592 M CB -0.460 32.179 32.600 0.067 0.000 1.395 592 M HN 0.596 nan 8.290 nan 0.000 0.435 593 N N 0.541 119.292 118.700 0.085 0.000 2.758 593 N HA -0.178 4.562 4.740 0.001 0.000 0.248 593 N C -0.483 175.115 175.510 0.147 0.000 1.076 593 N CA 0.785 53.895 53.050 0.101 0.000 0.696 593 N CB -0.968 37.572 38.487 0.088 0.000 0.979 593 N HN 0.432 nan 8.380 nan 0.000 0.550 594 M N -0.755 118.940 119.600 0.159 0.000 2.785 594 M HA 0.279 4.760 4.480 0.001 0.000 0.374 594 M C 1.398 177.792 176.300 0.157 0.000 1.221 594 M CA 0.214 55.650 55.300 0.227 0.000 0.912 594 M CB 0.425 33.205 32.600 0.301 0.000 1.355 594 M HN 0.372 nan 8.290 nan 0.000 0.513 595 G N 2.049 110.909 108.800 0.100 0.000 2.591 595 G HA2 -0.316 3.644 3.960 0.001 0.000 0.298 595 G HA3 -0.316 3.644 3.960 0.001 0.000 0.298 595 G C 0.343 175.248 174.900 0.008 0.000 1.195 595 G CA 0.304 45.416 45.100 0.019 0.000 0.989 595 G HN 0.582 nan 8.290 nan 0.000 0.551 596 N N 0.262 118.917 118.700 -0.076 0.000 2.276 596 N HA 0.087 4.828 4.740 0.001 0.000 0.212 596 N C -0.052 175.486 175.510 0.046 0.000 1.127 596 N CA -0.014 53.055 53.050 0.032 0.000 0.834 596 N CB 0.276 38.726 38.487 -0.062 0.000 1.014 596 N HN 0.422 nan 8.380 nan 0.000 0.491 597 Y N 2.219 122.378 120.300 -0.235 0.000 2.573 597 Y HA 0.192 4.743 4.550 0.001 0.000 0.346 597 Y C 0.362 176.167 175.900 -0.158 0.000 1.198 597 Y CA -0.992 56.921 58.100 -0.311 0.000 1.627 597 Y CB -0.296 37.879 38.460 -0.475 0.000 1.457 597 Y HN -0.020 nan 8.280 nan 0.000 0.483 598 A N 4.780 127.221 122.820 -0.632 0.000 3.091 598 A HA 0.083 4.403 4.320 0.001 0.000 0.264 598 A C 1.260 178.448 177.584 -0.660 0.000 1.673 598 A CA -0.201 51.512 52.037 -0.540 0.000 1.362 598 A CB -1.114 17.526 19.000 -0.601 0.000 1.137 598 A HN 1.010 nan 8.150 nan 0.000 0.617 599 H N 1.300 119.873 119.070 -0.830 0.000 2.489 599 H HA -0.109 4.448 4.556 0.001 0.000 0.295 599 H C 1.971 177.059 175.328 -0.399 0.000 1.082 599 H CA 2.061 57.684 56.048 -0.708 0.000 1.295 599 H CB 0.210 29.691 29.762 -0.469 0.000 1.380 599 H HN 0.537 nan 8.280 nan 0.000 0.548 600 G N -0.901 107.747 108.800 -0.254 0.000 2.776 600 G HA2 -0.138 3.823 3.960 0.001 0.000 0.209 600 G HA3 -0.138 3.823 3.960 0.001 0.000 0.209 600 G C 0.228 175.034 174.900 -0.157 0.000 1.145 600 G CA 0.166 45.168 45.100 -0.162 0.000 0.791 600 G HN 0.315 nan 8.290 nan 0.000 0.530 601 N N -1.906 116.651 118.700 -0.237 0.000 2.509 601 N HA 0.368 5.109 4.740 0.001 0.000 0.280 601 N C 0.850 176.220 175.510 -0.232 0.000 1.306 601 N CA -0.675 52.291 53.050 -0.140 0.000 0.782 601 N CB 1.643 40.104 38.487 -0.043 0.000 1.493 601 N HN -0.200 nan 8.380 nan 0.000 0.498 602 Q N 0.176 119.888 119.800 -0.147 0.000 2.123 602 Q HA 0.151 4.491 4.340 0.001 0.000 0.199 602 Q C -1.209 174.602 176.000 -0.316 0.000 0.966 602 Q CA 1.578 57.201 55.803 -0.300 0.000 0.845 602 Q CB -0.868 27.567 28.738 -0.506 0.000 0.907 602 Q HN 0.576 nan 8.270 nan 0.000 0.439 603 P HA -0.171 nan 4.420 nan 0.000 0.216 603 P C 0.859 178.069 177.300 -0.150 0.000 1.150 603 P CA 1.185 64.090 63.100 -0.326 0.000 0.843 603 P CB 0.079 31.456 31.700 -0.538 0.000 0.787 604 I N -1.357 119.077 120.570 -0.227 0.000 3.793 604 I HA -0.046 4.124 4.170 0.001 0.000 0.315 604 I C 1.872 177.896 176.117 -0.155 0.000 1.275 604 I CA 0.375 61.547 61.300 -0.213 0.000 1.214 604 I CB -0.150 37.638 38.000 -0.352 0.000 1.018 604 I HN -0.105 nan 8.210 nan 0.000 0.439 605 Q N 0.135 119.872 119.800 -0.106 0.000 2.234 605 Q HA -0.255 4.086 4.340 0.001 0.000 0.206 605 Q C 1.790 177.945 176.000 0.259 0.000 0.980 605 Q CA 1.680 57.440 55.803 -0.071 0.000 0.869 605 Q CB -0.218 28.415 28.738 -0.175 0.000 0.912 605 Q HN 0.715 nan 8.270 nan 0.000 0.436 606 H N -0.681 118.521 119.070 0.221 0.000 2.512 606 H HA 0.068 4.625 4.556 0.001 0.000 0.279 606 H C 1.827 177.324 175.328 0.283 0.000 0.999 606 H CA 0.474 56.706 56.048 0.307 0.000 1.283 606 H CB -0.382 29.643 29.762 0.438 0.000 1.421 606 H HN 0.195 nan 8.280 nan 0.000 0.554 607 M N 1.341 120.637 119.600 -0.507 0.000 2.106 607 M HA -0.166 4.314 4.480 0.001 0.000 0.259 607 M C 1.936 178.026 176.300 -0.350 0.000 1.068 607 M CA 1.579 56.504 55.300 -0.624 0.000 1.100 607 M CB -0.276 31.897 32.600 -0.713 0.000 1.351 607 M HN 0.260 nan 8.290 nan 0.000 0.404 608 I N -0.699 119.786 120.570 -0.142 0.000 2.335 608 I HA -0.320 3.850 4.170 0.001 0.000 0.251 608 I C 1.788 177.895 176.117 -0.018 0.000 1.129 608 I CA 1.350 62.584 61.300 -0.110 0.000 1.402 608 I CB -0.679 37.291 38.000 -0.049 0.000 1.069 608 I HN 0.275 nan 8.210 nan 0.000 0.424 609 Y N 0.624 121.006 120.300 0.137 0.000 2.497 609 Y HA -0.107 4.443 4.550 0.001 0.000 0.292 609 Y C 2.244 178.337 175.900 0.322 0.000 1.137 609 Y CA 0.666 58.911 58.100 0.242 0.000 1.285 609 Y CB -0.399 38.237 38.460 0.294 0.000 0.991 609 Y HN 0.134 nan 8.280 nan 0.000 0.556 610 L N -1.695 119.721 121.223 0.322 0.000 2.362 610 L HA -0.216 4.125 4.340 0.001 0.000 0.219 610 L C 1.657 178.752 176.870 0.375 0.000 1.134 610 L CA 0.751 55.809 54.840 0.365 0.000 0.807 610 L CB -0.641 41.510 42.059 0.152 0.000 0.927 610 L HN 0.241 nan 8.230 nan 0.000 0.447 611 Y N 0.674 121.107 120.300 0.222 0.000 2.193 611 Y HA -0.295 4.255 4.550 0.001 0.000 0.285 611 Y C 2.307 178.271 175.900 0.107 0.000 1.166 611 Y CA 1.375 59.552 58.100 0.128 0.000 1.181 611 Y CB -0.560 37.897 38.460 -0.004 0.000 0.976 611 Y HN 0.253 nan 8.280 nan 0.000 0.520 612 D N -1.352 119.229 120.400 0.301 0.000 2.123 612 D HA -0.210 4.430 4.640 0.001 0.000 0.196 612 D C 1.871 178.226 176.300 0.092 0.000 0.992 612 D CA 1.534 55.624 54.000 0.149 0.000 0.833 612 D CB -0.640 40.230 40.800 0.116 0.000 0.954 612 D HN 0.384 nan 8.370 nan 0.000 0.455 613 Y N 0.363 120.734 120.300 0.119 0.000 2.421 613 Y HA 0.060 4.611 4.550 0.001 0.000 0.292 613 Y C 2.156 178.040 175.900 -0.027 0.000 1.136 613 Y CA 0.874 58.991 58.100 0.029 0.000 1.255 613 Y CB -0.113 38.329 38.460 -0.029 0.000 0.991 613 Y HN -0.058 nan 8.280 nan 0.000 0.552 614 A N -0.660 122.270 122.820 0.184 0.000 2.345 614 A HA 0.473 4.794 4.320 0.001 0.000 0.225 614 A C 1.799 179.440 177.584 0.095 0.000 1.243 614 A CA 0.555 52.668 52.037 0.127 0.000 0.875 614 A CB -0.824 18.357 19.000 0.301 0.000 0.929 614 A HN 0.503 nan 8.150 nan 0.000 0.502 615 G N -0.606 108.229 108.800 0.059 0.000 2.160 615 G HA2 -0.230 3.730 3.960 0.001 0.000 0.244 615 G HA3 -0.230 3.730 3.960 0.001 0.000 0.244 615 G C -0.068 174.740 174.900 -0.153 0.000 1.022 615 G CA 0.335 45.445 45.100 0.017 0.000 0.741 615 G HN 0.600 nan 8.290 nan 0.000 0.508 616 Q N -0.665 118.920 119.800 -0.358 0.000 2.928 616 Q HA 0.201 4.541 4.340 0.001 0.000 0.353 616 Q C -1.766 173.681 176.000 -0.921 0.000 0.870 616 Q CA -1.567 53.522 55.803 -1.190 0.000 0.963 616 Q CB 1.872 30.044 28.738 -0.943 0.000 1.419 616 Q HN 0.330 nan 8.270 nan 0.000 0.396 617 P HA -0.167 nan 4.420 nan 0.000 0.223 617 P C 0.849 178.145 177.300 -0.007 0.000 1.151 617 P CA 0.909 63.960 63.100 -0.082 0.000 0.787 617 P CB -0.115 31.648 31.700 0.104 0.000 0.788 618 W N 1.343 122.714 121.300 0.120 0.000 2.392 618 W HA 0.035 4.695 4.660 0.001 0.000 0.279 618 W C 1.717 178.343 176.519 0.179 0.000 1.225 618 W CA 0.796 58.260 57.345 0.200 0.000 1.233 618 W CB -1.462 28.044 29.460 0.078 0.000 1.122 618 W HN -0.145 nan 8.180 nan 0.000 0.561 619 K N 0.692 120.849 120.400 -0.406 0.000 2.103 619 K HA 0.006 4.327 4.320 0.001 0.000 0.204 619 K C 2.514 178.951 176.600 -0.272 0.000 1.052 619 K CA 1.300 57.302 56.287 -0.475 0.000 0.945 619 K CB -0.496 31.291 32.500 -1.188 0.000 0.722 619 K HN 0.219 nan 8.250 nan 0.000 0.443 620 A N 1.644 124.387 122.820 -0.128 0.000 1.908 620 A HA -0.255 4.066 4.320 0.001 0.000 0.218 620 A C 2.065 179.654 177.584 0.009 0.000 1.181 620 A CA 1.478 53.567 52.037 0.086 0.000 0.627 620 A CB -0.532 18.525 19.000 0.096 0.000 0.818 620 A HN 0.302 nan 8.150 nan 0.000 0.445 621 Q N -1.998 117.837 119.800 0.058 0.000 2.096 621 Q HA -0.227 4.114 4.340 0.001 0.000 0.204 621 Q C 2.020 177.971 176.000 -0.081 0.000 0.982 621 Q CA 2.004 57.834 55.803 0.046 0.000 0.850 621 Q CB -0.429 28.423 28.738 0.189 0.000 0.901 621 Q HN 0.849 nan 8.270 nan 0.000 0.422 622 Y N -0.592 119.601 120.300 -0.178 0.000 2.114 622 Y HA -0.271 4.280 4.550 0.001 0.000 0.284 622 Y C 1.549 177.085 175.900 -0.607 0.000 1.143 622 Y CA 1.693 59.522 58.100 -0.452 0.000 1.135 622 Y CB -0.353 37.874 38.460 -0.389 0.000 0.980 622 Y HN 0.134 nan 8.280 nan 0.000 0.499 623 W N 0.071 121.186 121.300 -0.309 0.000 2.436 623 W HA -0.092 4.569 4.660 0.001 0.000 0.284 623 W C 2.224 178.507 176.519 -0.393 0.000 1.225 623 W CA 0.886 57.962 57.345 -0.448 0.000 1.271 623 W CB -0.291 28.905 29.460 -0.441 0.000 1.114 623 W HN 0.069 nan 8.180 nan 0.000 0.559 624 L N -0.061 121.099 121.223 -0.104 0.000 2.046 624 L HA -0.207 4.133 4.340 0.001 0.000 0.208 624 L C 2.636 179.414 176.870 -0.154 0.000 1.077 624 L CA 1.209 56.003 54.840 -0.077 0.000 0.747 624 L CB -0.683 41.279 42.059 -0.161 0.000 0.896 624 L HN -0.118 nan 8.230 nan 0.000 0.432 625 R N -0.150 120.134 120.500 -0.360 0.000 2.092 625 R HA -0.142 4.198 4.340 0.001 0.000 0.231 625 R C 2.322 178.357 176.300 -0.443 0.000 1.119 625 R CA 1.251 57.083 56.100 -0.447 0.000 0.970 625 R CB -0.330 29.559 30.300 -0.685 0.000 0.864 625 R HN 0.286 nan 8.270 nan 0.000 0.440 626 Q N -0.080 119.379 119.800 -0.569 0.000 2.045 626 Q HA -0.155 4.186 4.340 0.001 0.000 0.206 626 Q C 2.149 178.068 176.000 -0.135 0.000 0.991 626 Q CA 2.054 57.613 55.803 -0.406 0.000 0.851 626 Q CB -0.669 27.810 28.738 -0.431 0.000 0.911 626 Q HN 0.287 nan 8.270 nan 0.000 0.418 627 V N 1.052 120.942 119.914 -0.040 0.000 2.295 627 V HA -0.278 3.842 4.120 0.001 0.000 0.246 627 V C 2.445 178.633 176.094 0.158 0.000 1.049 627 V CA 1.868 64.190 62.300 0.036 0.000 1.024 627 V CB -0.581 31.223 31.823 -0.032 0.000 0.648 627 V HN 0.338 nan 8.190 nan 0.000 0.447 628 M N -0.373 119.321 119.600 0.157 0.000 2.117 628 M HA -0.187 4.293 4.480 0.001 0.000 0.262 628 M C 1.949 178.363 176.300 0.191 0.000 1.065 628 M CA 1.844 57.270 55.300 0.211 0.000 1.114 628 M CB -0.569 32.002 32.600 -0.048 0.000 1.361 628 M HN 0.329 nan 8.290 nan 0.000 0.408 629 D N -0.194 120.219 120.400 0.021 0.000 2.149 629 D HA -0.071 4.569 4.640 0.001 0.000 0.201 629 D C 2.002 178.317 176.300 0.025 0.000 0.972 629 D CA 1.215 55.207 54.000 -0.015 0.000 0.835 629 D CB -0.016 40.711 40.800 -0.121 0.000 0.966 629 D HN 0.347 nan 8.370 nan 0.000 0.476 630 R N -0.983 119.538 120.500 0.035 0.000 2.221 630 R HA 0.244 4.584 4.340 0.001 0.000 0.195 630 R C 1.563 177.891 176.300 0.047 0.000 0.956 630 R CA 0.117 56.233 56.100 0.027 0.000 1.064 630 R CB 0.302 30.606 30.300 0.007 0.000 1.049 630 R HN 0.028 nan 8.270 nan 0.000 0.534 631 M N -0.179 119.474 119.600 0.087 0.000 2.495 631 M HA 0.184 4.664 4.480 0.001 0.000 0.237 631 M C -0.655 175.592 176.300 -0.088 0.000 1.131 631 M CA 0.510 55.815 55.300 0.008 0.000 1.032 631 M CB 0.235 32.805 32.600 -0.050 0.000 1.513 631 M HN -0.062 nan 8.290 nan 0.000 0.488 632 Y N -0.796 119.502 120.300 -0.002 0.000 2.346 632 Y HA 0.465 5.015 4.550 0.001 0.000 0.332 632 Y C 0.117 175.930 175.900 -0.146 0.000 0.985 632 Y CA -0.722 57.315 58.100 -0.104 0.000 1.112 632 Y CB 1.753 40.126 38.460 -0.145 0.000 1.170 632 Y HN -0.234 nan 8.280 nan 0.000 0.447 633 T N 5.117 119.620 114.554 -0.086 0.000 2.893 633 T HA 0.307 4.657 4.350 0.001 0.000 0.291 633 T C -2.124 172.496 174.700 -0.133 0.000 1.028 633 T CA -1.751 60.298 62.100 -0.084 0.000 0.995 633 T CB 1.941 70.767 68.868 -0.071 0.000 1.051 633 T HN 0.337 nan 8.240 nan 0.000 0.470 634 P HA 0.166 nan 4.420 nan 0.000 0.245 634 P C 0.806 178.065 177.300 -0.067 0.000 1.206 634 P CA 0.062 63.123 63.100 -0.065 0.000 0.781 634 P CB 0.044 31.744 31.700 -0.000 0.000 0.994 635 G N 1.642 110.392 108.800 -0.084 0.000 2.588 635 G HA2 0.178 4.138 3.960 0.001 0.000 0.278 635 G HA3 0.178 4.138 3.960 0.001 0.000 0.278 635 G C -1.618 173.197 174.900 -0.143 0.000 1.307 635 G CA -1.049 43.984 45.100 -0.112 0.000 1.016 635 G HN -0.061 nan 8.290 nan 0.000 0.503 636 P HA 0.001 nan 4.420 nan 0.000 0.222 636 P C 0.524 177.754 177.300 -0.118 0.000 1.147 636 P CA 1.193 64.128 63.100 -0.275 0.000 0.790 636 P CB 0.200 31.395 31.700 -0.842 0.000 0.780 637 D N -1.660 118.673 120.400 -0.111 0.000 2.738 637 D HA 0.127 4.767 4.640 0.001 0.000 0.246 637 D C 1.511 177.791 176.300 -0.033 0.000 1.270 637 D CA -0.500 53.484 54.000 -0.026 0.000 0.833 637 D CB -1.003 39.782 40.800 -0.025 0.000 1.040 637 D HN 0.004 nan 8.370 nan 0.000 0.487 638 G N -0.395 108.359 108.800 -0.076 0.000 2.470 638 G HA2 -0.156 3.804 3.960 0.001 0.000 0.220 638 G HA3 -0.156 3.804 3.960 0.001 0.000 0.220 638 G C 0.193 174.916 174.900 -0.295 0.000 1.121 638 G CA 0.508 45.486 45.100 -0.202 0.000 0.766 638 G HN 0.293 nan 8.290 nan 0.000 0.553 639 Y N -1.495 118.760 120.300 -0.076 0.000 2.458 639 Y HA 0.343 4.894 4.550 0.001 0.000 0.322 639 Y C 1.558 177.368 175.900 -0.150 0.000 1.259 639 Y CA -0.890 57.108 58.100 -0.170 0.000 1.302 639 Y CB 1.230 39.629 38.460 -0.103 0.000 1.314 639 Y HN 0.050 nan 8.280 nan 0.000 0.509 640 C N -1.405 117.882 119.300 -0.022 0.000 2.855 640 C HA 0.822 5.282 4.460 0.001 0.000 0.279 640 C C 0.650 175.650 174.990 0.018 0.000 1.270 640 C CA 0.139 59.145 59.018 -0.020 0.000 1.702 640 C CB -1.469 26.235 27.740 -0.060 0.000 1.949 640 C HN 0.970 nan 8.230 nan 0.000 0.618 641 G N -0.296 108.535 108.800 0.052 0.000 2.325 641 G HA2 0.373 4.333 3.960 0.001 0.000 0.295 641 G HA3 0.373 4.333 3.960 0.001 0.000 0.295 641 G C -2.222 172.706 174.900 0.047 0.000 1.274 641 G CA -0.572 44.569 45.100 0.068 0.000 0.857 641 G HN 0.076 nan 8.290 nan 0.000 0.499 642 D N 0.494 120.949 120.400 0.092 0.000 2.455 642 D HA 0.206 4.847 4.640 0.001 0.000 0.241 642 D C 1.275 177.521 176.300 -0.090 0.000 1.138 642 D CA -0.177 53.859 54.000 0.060 0.000 0.877 642 D CB 1.708 42.633 40.800 0.210 0.000 1.187 642 D HN 0.408 nan 8.370 nan 0.000 0.451 643 E N 1.464 121.520 120.200 -0.241 0.000 2.046 643 E HA -0.165 4.185 4.350 0.001 0.000 0.190 643 E C -0.399 176.131 176.600 -0.117 0.000 0.982 643 E CA 0.733 56.894 56.400 -0.398 0.000 0.800 643 E CB 0.128 29.494 29.700 -0.557 0.000 0.756 643 E HN 0.438 nan 8.360 nan 0.000 0.449 644 D N 0.436 120.817 120.400 -0.033 0.000 2.760 644 D HA -0.207 4.434 4.640 0.001 0.000 0.244 644 D C -0.701 175.615 176.300 0.026 0.000 1.123 644 D CA 0.981 55.016 54.000 0.058 0.000 0.719 644 D CB -1.955 38.933 40.800 0.147 0.000 1.045 644 D HN 0.425 nan 8.370 nan 0.000 0.426 645 N N -1.150 117.504 118.700 -0.076 0.000 2.725 645 N HA -0.223 4.517 4.740 0.001 0.000 0.249 645 N C 1.121 176.734 175.510 0.171 0.000 1.103 645 N CA 1.713 54.714 53.050 -0.081 0.000 0.707 645 N CB -1.076 37.256 38.487 -0.259 0.000 1.043 645 N HN 0.775 nan 8.380 nan 0.000 0.553 646 G N -1.328 107.560 108.800 0.145 0.000 2.307 646 G HA2 -0.374 3.586 3.960 0.001 0.000 0.210 646 G HA3 -0.374 3.586 3.960 0.001 0.000 0.210 646 G C 0.680 175.691 174.900 0.184 0.000 1.005 646 G CA 0.704 45.904 45.100 0.166 0.000 0.634 646 G HN 0.418 nan 8.290 nan 0.000 0.496 647 Q N 1.262 121.161 119.800 0.165 0.000 2.014 647 Q HA -0.038 4.302 4.340 0.001 0.000 0.207 647 Q C 2.495 178.663 176.000 0.280 0.000 0.993 647 Q CA 3.292 59.211 55.803 0.192 0.000 0.850 647 Q CB -0.997 27.811 28.738 0.116 0.000 0.916 647 Q HN 0.528 nan 8.270 nan 0.000 0.417 648 T N -0.122 114.568 114.554 0.226 0.000 2.867 648 T HA -0.040 4.310 4.350 0.001 0.000 0.268 648 T C 1.979 177.054 174.700 0.625 0.000 1.057 648 T CA 1.124 63.429 62.100 0.342 0.000 1.136 648 T CB -0.283 68.665 68.868 0.134 0.000 0.874 648 T HN 0.232 nan 8.240 nan 0.000 0.466 649 S N 1.611 117.598 115.700 0.479 0.000 2.345 649 S HA -0.015 4.455 4.470 0.001 0.000 0.220 649 S C 2.616 177.466 174.600 0.418 0.000 1.031 649 S CA 0.997 59.502 58.200 0.508 0.000 0.996 649 S CB -0.597 62.805 63.200 0.338 0.000 0.882 649 S HN 0.588 nan 8.310 nan 0.000 0.445 650 A N 0.180 123.209 122.820 0.348 0.000 2.019 650 A HA -0.152 4.168 4.320 0.001 0.000 0.219 650 A C 1.767 179.634 177.584 0.472 0.000 1.164 650 A CA 1.337 53.557 52.037 0.306 0.000 0.644 650 A CB -1.014 18.162 19.000 0.293 0.000 0.805 650 A HN 0.731 nan 8.150 nan 0.000 0.449 651 W N -0.763 120.802 121.300 0.441 0.000 2.335 651 W HA -0.282 4.378 4.660 0.001 0.000 0.311 651 W C 2.026 178.771 176.519 0.377 0.000 1.213 651 W CA 2.162 59.824 57.345 0.528 0.000 1.274 651 W CB -0.436 29.326 29.460 0.503 0.000 1.148 651 W HN 0.464 nan 8.180 nan 0.000 0.498 652 Y N 0.119 120.674 120.300 0.425 0.000 2.200 652 Y HA -0.258 4.292 4.550 0.001 0.000 0.290 652 Y C 2.325 178.179 175.900 -0.077 0.000 1.137 652 Y CA 2.566 60.660 58.100 -0.010 0.000 1.163 652 Y CB -0.792 37.481 38.460 -0.313 0.000 0.988 652 Y HN -0.177 nan 8.280 nan 0.000 0.518 653 V N -0.278 119.669 119.914 0.055 0.000 2.255 653 V HA -0.337 3.784 4.120 0.001 0.000 0.247 653 V C 2.121 178.109 176.094 -0.177 0.000 1.051 653 V CA 2.181 64.362 62.300 -0.198 0.000 1.018 653 V CB -0.978 30.633 31.823 -0.354 0.000 0.641 653 V HN 0.324 nan 8.190 nan 0.000 0.445 654 F N 1.026 120.886 119.950 -0.150 0.000 2.046 654 F HA -0.205 4.323 4.527 0.001 0.000 0.297 654 F C 2.786 178.337 175.800 -0.415 0.000 1.123 654 F CA 2.123 59.956 58.000 -0.279 0.000 1.199 654 F CB -0.982 37.949 39.000 -0.115 0.000 0.972 654 F HN 0.037 nan 8.300 nan 0.000 0.474 655 S N -0.222 115.316 115.700 -0.271 0.000 2.383 655 S HA -0.196 4.274 4.470 0.001 0.000 0.229 655 S C 2.270 176.645 174.600 -0.375 0.000 1.030 655 S CA 1.005 58.945 58.200 -0.433 0.000 1.002 655 S CB -0.759 61.820 63.200 -1.035 0.000 0.829 655 S HN 0.389 nan 8.310 nan 0.000 0.467 656 A N 1.228 123.799 122.820 -0.416 0.000 1.969 656 A HA 0.079 4.400 4.320 0.001 0.000 0.218 656 A C 2.018 179.509 177.584 -0.155 0.000 1.169 656 A CA 0.910 52.754 52.037 -0.322 0.000 0.635 656 A CB -0.568 18.301 19.000 -0.218 0.000 0.810 656 A HN 0.470 nan 8.150 nan 0.000 0.445 657 L N -1.697 119.411 121.223 -0.192 0.000 2.291 657 L HA 0.087 4.427 4.340 0.001 0.000 0.214 657 L C 1.763 178.465 176.870 -0.279 0.000 1.120 657 L CA 0.840 55.518 54.840 -0.271 0.000 0.799 657 L CB -0.272 41.495 42.059 -0.487 0.000 0.925 657 L HN 0.604 nan 8.230 nan 0.000 0.446 658 G N -0.187 108.442 108.800 -0.285 0.000 2.154 658 G HA2 -0.216 3.744 3.960 0.001 0.000 0.186 658 G HA3 -0.216 3.744 3.960 0.001 0.000 0.186 658 G C -0.070 174.943 174.900 0.187 0.000 1.000 658 G CA -0.103 44.980 45.100 -0.028 0.000 0.664 658 G HN 0.290 nan 8.290 nan 0.000 0.513 659 F N -2.128 117.937 119.950 0.191 0.000 2.686 659 F HA 0.843 5.370 4.527 0.001 0.000 0.311 659 F C -1.052 174.825 175.800 0.128 0.000 1.128 659 F CA -2.648 55.477 58.000 0.207 0.000 0.946 659 F CB 1.170 40.281 39.000 0.185 0.000 1.336 659 F HN 0.225 nan 8.300 nan 0.000 0.457 660 Y N 1.521 121.771 120.300 -0.084 0.000 2.482 660 Y HA 0.563 5.114 4.550 0.001 0.000 0.334 660 Y C -2.901 172.753 175.900 -0.410 0.000 1.091 660 Y CA -2.375 55.378 58.100 -0.577 0.000 1.027 660 Y CB 3.202 40.914 38.460 -1.247 0.000 1.306 660 Y HN 0.456 nan 8.280 nan 0.000 0.446 661 P HA 0.088 nan 4.420 nan 0.000 0.247 661 P C 0.445 177.457 177.300 -0.480 0.000 1.756 661 P CA 0.248 62.949 63.100 -0.665 0.000 1.117 661 P CB 0.792 32.073 31.700 -0.699 0.000 1.869 662 V N 1.532 121.394 119.914 -0.088 0.000 2.332 662 V HA -0.195 3.925 4.120 0.001 0.000 0.248 662 V C 1.444 177.588 176.094 0.084 0.000 1.055 662 V CA 1.757 64.178 62.300 0.201 0.000 1.038 662 V CB -0.341 31.713 31.823 0.386 0.000 0.651 662 V HN 0.535 nan 8.190 nan 0.000 0.450 663 C N 2.219 121.527 119.300 0.012 0.000 2.621 663 C HA 0.511 4.971 4.460 0.001 0.000 0.272 663 C C -2.579 172.417 174.990 0.010 0.000 1.119 663 C CA -2.289 56.733 59.018 0.007 0.000 1.593 663 C CB -0.433 27.317 27.740 0.016 0.000 1.749 663 C HN 0.296 nan 8.230 nan 0.000 0.420 664 P HA 0.313 nan 4.420 nan 0.000 0.266 664 P C 0.894 178.313 177.300 0.199 0.000 1.195 664 P CA 1.838 64.969 63.100 0.050 0.000 0.768 664 P CB 0.578 32.334 31.700 0.093 0.000 0.838 665 G N 1.161 110.008 108.800 0.078 0.000 2.284 665 G HA2 -0.203 3.757 3.960 0.001 0.000 0.216 665 G HA3 -0.203 3.757 3.960 0.001 0.000 0.216 665 G C 0.419 175.379 174.900 0.099 0.000 1.009 665 G CA 0.265 45.426 45.100 0.102 0.000 0.625 665 G HN 0.821 nan 8.290 nan 0.000 0.501 666 T N -0.523 114.099 114.554 0.112 0.000 2.824 666 T HA 0.505 4.855 4.350 0.001 0.000 0.277 666 T C 0.848 175.450 174.700 -0.163 0.000 0.975 666 T CA 0.655 62.719 62.100 -0.060 0.000 0.966 666 T CB 1.593 70.389 68.868 -0.120 0.000 1.054 666 T HN 0.390 nan 8.240 nan 0.000 0.533 667 D N -1.184 119.125 120.400 -0.152 0.000 2.336 667 D HA 0.085 4.726 4.640 0.001 0.000 0.228 667 D C -0.031 176.172 176.300 -0.162 0.000 1.120 667 D CA -0.277 53.629 54.000 -0.156 0.000 0.839 667 D CB -0.161 40.608 40.800 -0.050 0.000 0.932 667 D HN 0.722 nan 8.370 nan 0.000 0.509 668 E N -0.018 120.034 120.200 -0.247 0.000 2.179 668 E HA 0.330 4.680 4.350 0.001 0.000 0.275 668 E C -1.046 175.311 176.600 -0.404 0.000 0.945 668 E CA -0.815 55.493 56.400 -0.153 0.000 0.792 668 E CB 1.334 30.991 29.700 -0.072 0.000 1.125 668 E HN 0.139 nan 8.360 nan 0.000 0.397 669 Y N 0.731 121.083 120.300 0.087 0.000 2.328 669 Y HA 0.239 4.790 4.550 0.001 0.000 0.333 669 Y C -0.006 175.987 175.900 0.155 0.000 0.958 669 Y CA -0.999 57.139 58.100 0.063 0.000 1.167 669 Y CB 1.076 39.559 38.460 0.039 0.000 1.151 669 Y HN 0.215 nan 8.280 nan 0.000 0.470 670 V N 4.816 124.874 119.914 0.241 0.000 2.614 670 V HA 0.049 4.169 4.120 0.001 0.000 0.291 670 V C 0.361 176.686 176.094 0.386 0.000 1.049 670 V CA -0.515 61.955 62.300 0.282 0.000 1.038 670 V CB 0.797 32.778 31.823 0.263 0.000 0.980 670 V HN 0.723 nan 8.190 nan 0.000 0.481 671 M N 4.594 124.435 119.600 0.401 0.000 2.200 671 M HA 0.516 4.996 4.480 0.001 0.000 0.355 671 M C 0.589 177.167 176.300 0.464 0.000 1.283 671 M CA 0.660 56.206 55.300 0.410 0.000 1.124 671 M CB 0.780 33.560 32.600 0.300 0.000 1.625 671 M HN 0.792 nan 8.290 nan 0.000 0.463 672 G N 1.408 110.474 108.800 0.443 0.000 3.306 672 G HA2 0.486 4.446 3.960 0.001 0.000 0.202 672 G HA3 0.486 4.446 3.960 0.001 0.000 0.202 672 G C -0.958 174.029 174.900 0.145 0.000 1.673 672 G CA -0.110 45.150 45.100 0.266 0.000 0.776 672 G HN 0.625 nan 8.290 nan 0.000 0.740 673 T N 1.924 116.515 114.554 0.062 0.000 2.991 673 T HA 0.596 4.946 4.350 0.001 0.000 0.303 673 T C -2.993 171.689 174.700 -0.031 0.000 1.015 673 T CA -1.211 60.907 62.100 0.030 0.000 1.007 673 T CB 2.050 70.925 68.868 0.012 0.000 1.034 673 T HN 0.231 nan 8.240 nan 0.000 0.446 674 P HA 0.190 nan 4.420 nan 0.000 0.271 674 P C 0.451 177.671 177.300 -0.134 0.000 1.216 674 P CA -0.498 62.566 63.100 -0.059 0.000 0.776 674 P CB 1.095 32.791 31.700 -0.008 0.000 0.881 675 L N 2.433 123.514 121.223 -0.236 0.000 2.249 675 L HA 0.279 4.620 4.340 0.001 0.000 0.207 675 L C 0.539 177.082 176.870 -0.545 0.000 1.090 675 L CA 1.160 55.728 54.840 -0.453 0.000 0.802 675 L CB -0.374 41.270 42.059 -0.691 0.000 0.947 675 L HN 0.168 nan 8.230 nan 0.000 0.453 676 F N -0.602 119.257 119.950 -0.150 0.000 2.440 676 F HA 0.338 4.866 4.527 0.001 0.000 0.328 676 F C 1.588 177.342 175.800 -0.077 0.000 1.070 676 F CA -0.623 57.305 58.000 -0.120 0.000 1.011 676 F CB 0.755 39.664 39.000 -0.152 0.000 1.226 676 F HN -0.315 nan 8.300 nan 0.000 0.491 677 K N 0.185 120.681 120.400 0.159 0.000 2.148 677 K HA -0.046 4.274 4.320 0.001 0.000 0.204 677 K C 0.273 176.915 176.600 0.070 0.000 1.050 677 K CA 1.171 57.509 56.287 0.085 0.000 0.942 677 K CB 0.181 32.727 32.500 0.076 0.000 0.724 677 K HN 0.363 nan 8.250 nan 0.000 0.446 678 K N 0.014 120.463 120.400 0.082 0.000 2.553 678 K HA 0.426 4.746 4.320 0.001 0.000 0.250 678 K C -2.040 174.528 176.600 -0.055 0.000 0.953 678 K CA -0.404 55.892 56.287 0.015 0.000 0.800 678 K CB 2.112 34.620 32.500 0.013 0.000 1.243 678 K HN -0.010 nan 8.250 nan 0.000 0.435 679 A N 2.334 125.101 122.820 -0.088 0.000 2.371 679 A HA 0.678 4.998 4.320 0.001 0.000 0.311 679 A C -1.057 176.420 177.584 -0.178 0.000 1.068 679 A CA -0.564 51.364 52.037 -0.182 0.000 0.744 679 A CB 1.748 20.642 19.000 -0.178 0.000 1.239 679 A HN 0.541 nan 8.150 nan 0.000 0.435 680 T N 2.960 117.365 114.554 -0.249 0.000 2.812 680 T HA 0.553 4.904 4.350 0.001 0.000 0.282 680 T C -0.612 173.786 174.700 -0.503 0.000 0.990 680 T CA -0.200 61.701 62.100 -0.332 0.000 0.960 680 T CB 0.627 69.312 68.868 -0.304 0.000 0.948 680 T HN 0.468 nan 8.240 nan 0.000 0.438 681 L N 4.271 125.154 121.223 -0.568 0.000 2.287 681 L HA 0.473 4.814 4.340 0.001 0.000 0.287 681 L C -0.102 176.180 176.870 -0.980 0.000 1.022 681 L CA -0.996 53.414 54.840 -0.716 0.000 0.814 681 L CB 0.854 42.510 42.059 -0.673 0.000 1.217 681 L HN 0.575 nan 8.230 nan 0.000 0.420 682 H N 4.057 122.806 119.070 -0.536 0.000 2.623 682 H HA 0.336 4.892 4.556 0.001 0.000 0.299 682 H C -0.553 174.514 175.328 -0.434 0.000 1.052 682 H CA -0.494 55.306 56.048 -0.413 0.000 1.231 682 H CB 0.789 30.439 29.762 -0.186 0.000 1.389 682 H HN 0.280 nan 8.280 nan 0.000 0.469 683 F N 0.838 120.757 119.950 -0.051 0.000 2.382 683 F HA 0.100 4.628 4.527 0.001 0.000 0.331 683 F C 1.987 177.677 175.800 -0.183 0.000 1.121 683 F CA -0.548 57.334 58.000 -0.197 0.000 1.183 683 F CB 0.846 39.606 39.000 -0.398 0.000 1.207 683 F HN 0.474 nan 8.300 nan 0.000 0.555 684 E N 0.612 120.809 120.200 -0.005 0.000 2.267 684 E HA -0.234 4.116 4.350 0.001 0.000 0.197 684 E C 1.380 177.941 176.600 -0.065 0.000 0.998 684 E CA 1.269 57.651 56.400 -0.029 0.000 0.830 684 E CB -0.218 29.474 29.700 -0.013 0.000 0.751 684 E HN 0.575 nan 8.360 nan 0.000 0.491 685 N N -0.272 118.335 118.700 -0.155 0.000 2.521 685 N HA -0.034 4.706 4.740 0.001 0.000 0.188 685 N C 1.171 176.651 175.510 -0.050 0.000 1.146 685 N CA 1.057 54.026 53.050 -0.134 0.000 0.893 685 N CB 0.406 38.743 38.487 -0.250 0.000 0.975 685 N HN 0.177 nan 8.380 nan 0.000 0.451 686 G N -1.037 107.758 108.800 -0.009 0.000 2.213 686 G HA2 -0.278 3.683 3.960 0.001 0.000 0.236 686 G HA3 -0.278 3.683 3.960 0.001 0.000 0.236 686 G C -0.181 174.751 174.900 0.053 0.000 0.991 686 G CA -0.006 45.105 45.100 0.018 0.000 0.629 686 G HN 0.483 nan 8.290 nan 0.000 0.517 687 N N 0.628 119.378 118.700 0.084 0.000 2.463 687 N HA 0.668 5.408 4.740 0.001 0.000 0.270 687 N C -0.299 175.322 175.510 0.186 0.000 1.205 687 N CA 0.290 53.426 53.050 0.143 0.000 0.974 687 N CB 1.428 40.008 38.487 0.155 0.000 1.197 687 N HN 0.210 nan 8.380 nan 0.000 0.504 688 S N 0.318 116.098 115.700 0.134 0.000 2.536 688 S HA 0.488 4.959 4.470 0.001 0.000 0.287 688 S C -0.891 173.714 174.600 0.010 0.000 1.101 688 S CA -0.713 57.475 58.200 -0.021 0.000 0.950 688 S CB 1.546 64.750 63.200 0.007 0.000 1.056 688 S HN 0.312 nan 8.310 nan 0.000 0.481 689 L N 3.478 124.624 121.223 -0.128 0.000 2.333 689 L HA 0.653 4.994 4.340 0.001 0.000 0.280 689 L C -1.331 175.466 176.870 -0.121 0.000 1.004 689 L CA -0.637 54.189 54.840 -0.024 0.000 0.820 689 L CB 1.454 43.569 42.059 0.093 0.000 1.247 689 L HN 0.420 nan 8.230 nan 0.000 0.416 690 V N 6.219 126.092 119.914 -0.068 0.000 2.398 690 V HA 0.404 4.524 4.120 0.001 0.000 0.286 690 V C 0.165 176.218 176.094 -0.069 0.000 1.026 690 V CA -0.374 61.879 62.300 -0.078 0.000 0.868 690 V CB 1.817 33.614 31.823 -0.043 0.000 0.982 690 V HN 0.533 nan 8.190 nan 0.000 0.443 691 I N 4.165 124.693 120.570 -0.069 0.000 2.371 691 I HA 0.356 4.527 4.170 0.001 0.000 0.282 691 I C -0.564 175.535 176.117 -0.030 0.000 1.031 691 I CA -0.350 60.918 61.300 -0.054 0.000 1.180 691 I CB 1.082 39.067 38.000 -0.025 0.000 1.336 691 I HN 0.471 nan 8.210 nan 0.000 0.467 692 D N 6.434 126.820 120.400 -0.023 0.000 2.313 692 D HA 0.402 5.042 4.640 0.001 0.000 0.239 692 D C 0.032 176.334 176.300 0.003 0.000 1.142 692 D CA 0.007 54.005 54.000 -0.004 0.000 0.847 692 D CB 2.160 42.960 40.800 0.001 0.000 1.082 692 D HN 0.576 nan 8.370 nan 0.000 0.480 693 A N 4.554 127.382 122.820 0.013 0.000 3.165 693 A HA 0.341 4.661 4.320 0.001 0.000 0.331 693 A C -1.626 175.968 177.584 0.017 0.000 1.034 693 A CA -0.991 51.055 52.037 0.014 0.000 0.906 693 A CB 0.746 19.755 19.000 0.014 0.000 1.054 693 A HN 0.249 nan 8.150 nan 0.000 0.484 694 P HA -0.128 nan 4.420 nan 0.000 0.222 694 P C 0.654 177.961 177.300 0.013 0.000 1.147 694 P CA 1.177 64.288 63.100 0.018 0.000 0.790 694 P CB 0.212 31.922 31.700 0.016 0.000 0.780 695 N N -0.745 117.959 118.700 0.007 0.000 2.268 695 N HA 0.013 4.754 4.740 0.001 0.000 0.204 695 N C 0.376 175.882 175.510 -0.007 0.000 1.124 695 N CA -0.236 52.814 53.050 -0.001 0.000 0.838 695 N CB -0.624 37.861 38.487 -0.004 0.000 0.994 695 N HN -0.088 nan 8.380 nan 0.000 0.489 696 N N 0.478 119.175 118.700 -0.005 0.000 2.454 696 N HA 0.023 4.763 4.740 0.001 0.000 0.254 696 N C -0.498 174.999 175.510 -0.022 0.000 1.228 696 N CA 0.468 53.508 53.050 -0.017 0.000 0.900 696 N CB 0.570 39.044 38.487 -0.021 0.000 1.089 696 N HN 0.341 nan 8.380 nan 0.000 0.449 697 S N 0.024 115.708 115.700 -0.028 0.000 2.703 697 S HA 0.271 4.742 4.470 0.001 0.000 0.273 697 S C 0.776 175.367 174.600 -0.015 0.000 1.178 697 S CA -0.490 57.693 58.200 -0.028 0.000 0.838 697 S CB 0.344 63.533 63.200 -0.019 0.000 1.178 697 S HN 0.366 nan 8.310 nan 0.000 0.494 698 T N 1.212 115.759 114.554 -0.012 0.000 2.881 698 T HA 0.007 4.357 4.350 0.001 0.000 0.270 698 T C 1.074 175.836 174.700 0.104 0.000 1.068 698 T CA 2.112 64.217 62.100 0.009 0.000 1.131 698 T CB -0.430 68.430 68.868 -0.013 0.000 0.871 698 T HN 0.650 nan 8.240 nan 0.000 0.479 699 E N 0.870 121.109 120.200 0.066 0.000 2.307 699 E HA 0.118 4.468 4.350 0.001 0.000 0.195 699 E C 0.352 176.873 176.600 -0.131 0.000 0.975 699 E CA 0.228 56.656 56.400 0.047 0.000 0.878 699 E CB 0.127 29.824 29.700 -0.005 0.000 0.845 699 E HN 0.247 nan 8.360 nan 0.000 0.488 700 N N 1.218 119.862 118.700 -0.093 0.000 3.083 700 N HA 0.092 4.832 4.740 0.001 0.000 0.260 700 N C -0.497 174.930 175.510 -0.137 0.000 1.163 700 N CA -0.116 52.835 53.050 -0.165 0.000 1.060 700 N CB -0.081 38.359 38.487 -0.077 0.000 1.345 700 N HN 0.174 nan 8.380 nan 0.000 0.515 701 F N -1.766 118.090 119.950 -0.157 0.000 2.678 701 F HA 0.415 4.942 4.527 0.001 0.000 0.305 701 F C -0.210 175.430 175.800 -0.266 0.000 1.090 701 F CA -0.898 56.952 58.000 -0.251 0.000 1.272 701 F CB -0.369 38.417 39.000 -0.356 0.000 1.060 701 F HN -0.092 nan 8.300 nan 0.000 0.576 702 Y N 2.014 122.200 120.300 -0.189 0.000 2.299 702 Y HA 0.463 5.013 4.550 0.001 0.000 0.326 702 Y C 0.397 176.291 175.900 -0.010 0.000 1.164 702 Y CA -1.526 56.546 58.100 -0.047 0.000 1.234 702 Y CB 0.773 39.158 38.460 -0.125 0.000 1.219 702 Y HN -0.111 nan 8.280 nan 0.000 0.497 703 I N 2.998 123.701 120.570 0.222 0.000 2.322 703 I HA 0.020 4.190 4.170 0.001 0.000 0.292 703 I C 0.613 176.804 176.117 0.124 0.000 1.060 703 I CA 0.242 61.630 61.300 0.146 0.000 1.309 703 I CB 0.812 38.901 38.000 0.149 0.000 1.415 703 I HN 0.726 nan 8.210 nan 0.000 0.492 704 D N 3.734 124.177 120.400 0.071 0.000 2.137 704 D HA -0.055 4.585 4.640 0.001 0.000 0.202 704 D C 0.527 176.852 176.300 0.042 0.000 0.970 704 D CA 0.988 55.008 54.000 0.033 0.000 0.837 704 D CB 0.486 41.287 40.800 0.001 0.000 0.981 704 D HN 0.601 nan 8.370 nan 0.000 0.475 705 S N -1.652 114.078 115.700 0.051 0.000 2.625 705 S HA 0.576 5.046 4.470 0.001 0.000 0.271 705 S C -0.934 173.709 174.600 0.072 0.000 1.161 705 S CA -1.073 57.163 58.200 0.060 0.000 0.820 705 S CB 1.883 65.109 63.200 0.043 0.000 1.137 705 S HN 0.083 nan 8.310 nan 0.000 0.470 706 M N 2.065 121.720 119.600 0.091 0.000 2.421 706 M HA 0.577 5.057 4.480 0.001 0.000 0.287 706 M C -1.523 174.851 176.300 0.123 0.000 1.183 706 M CA -0.217 55.141 55.300 0.098 0.000 0.916 706 M CB 2.276 34.956 32.600 0.134 0.000 1.701 706 M HN 1.141 nan 8.290 nan 0.000 0.470 707 S N 2.607 118.363 115.700 0.093 0.000 2.568 707 S HA 0.794 5.265 4.470 0.001 0.000 0.293 707 S C -1.508 173.170 174.600 0.131 0.000 1.089 707 S CA -0.635 57.644 58.200 0.130 0.000 0.945 707 S CB 2.159 65.418 63.200 0.098 0.000 1.077 707 S HN 0.572 nan 8.310 nan 0.000 0.485 708 F N 2.867 122.818 119.950 0.001 0.000 2.496 708 F HA 0.482 5.010 4.527 0.001 0.000 0.341 708 F C 0.184 175.976 175.800 -0.012 0.000 1.134 708 F CA -1.465 56.501 58.000 -0.057 0.000 0.968 708 F CB 0.360 39.271 39.000 -0.148 0.000 1.205 708 F HN 0.864 nan 8.300 nan 0.000 0.436 709 N N 4.007 122.946 118.700 0.397 0.000 2.716 709 N HA -0.224 4.517 4.740 0.001 0.000 0.250 709 N C 1.183 176.754 175.510 0.103 0.000 1.033 709 N CA 1.407 54.566 53.050 0.181 0.000 0.727 709 N CB -1.081 37.461 38.487 0.092 0.000 0.950 709 N HN 1.236 nan 8.380 nan 0.000 0.541 710 G N -1.884 106.980 108.800 0.106 0.000 2.284 710 G HA2 -0.232 3.728 3.960 0.001 0.000 0.247 710 G HA3 -0.232 3.728 3.960 0.001 0.000 0.247 710 G C 0.220 175.164 174.900 0.074 0.000 1.012 710 G CA 0.764 45.908 45.100 0.073 0.000 0.618 710 G HN 1.176 nan 8.290 nan 0.000 0.521 711 A N 0.447 123.320 122.820 0.087 0.000 2.328 711 A HA 0.562 4.882 4.320 0.001 0.000 0.284 711 A C 0.202 177.861 177.584 0.126 0.000 1.160 711 A CA 0.541 52.627 52.037 0.083 0.000 0.818 711 A CB 0.466 19.500 19.000 0.057 0.000 1.087 711 A HN 0.527 nan 8.150 nan 0.000 0.504 712 D N 1.046 121.503 120.400 0.096 0.000 2.493 712 D HA -0.015 4.626 4.640 0.001 0.000 0.240 712 D C -0.194 176.193 176.300 0.146 0.000 1.142 712 D CA 1.186 55.248 54.000 0.104 0.000 0.872 712 D CB 0.102 40.938 40.800 0.059 0.000 1.173 712 D HN 0.512 nan 8.370 nan 0.000 0.467 713 H N 2.854 121.960 119.070 0.060 0.000 2.762 713 H HA 0.207 4.764 4.556 0.001 0.000 0.310 713 H C 0.291 175.641 175.328 0.037 0.000 1.004 713 H CA -0.184 55.898 56.048 0.057 0.000 1.267 713 H CB 0.943 30.766 29.762 0.102 0.000 1.437 713 H HN 0.497 nan 8.280 nan 0.000 0.498 714 T N 0.835 115.262 114.554 -0.212 0.000 3.001 714 T HA 0.192 4.543 4.350 0.001 0.000 0.251 714 T C 0.632 175.236 174.700 -0.160 0.000 1.040 714 T CA -0.344 61.694 62.100 -0.104 0.000 0.985 714 T CB 0.569 69.412 68.868 -0.042 0.000 1.011 714 T HN 0.338 nan 8.240 nan 0.000 0.509 715 K N 2.357 122.500 120.400 -0.428 0.000 2.414 715 K HA 0.163 4.484 4.320 0.001 0.000 0.272 715 K C 0.149 176.686 176.600 -0.104 0.000 0.993 715 K CA -0.221 55.860 56.287 -0.342 0.000 0.964 715 K CB 0.274 32.355 32.500 -0.699 0.000 0.925 715 K HN 0.092 nan 8.250 nan 0.000 0.487 716 N N 2.046 120.785 118.700 0.065 0.000 2.362 716 N HA 0.023 4.763 4.740 0.001 0.000 0.211 716 N C -1.043 174.638 175.510 0.286 0.000 1.170 716 N CA 0.255 53.407 53.050 0.169 0.000 0.828 716 N CB -0.198 38.367 38.487 0.128 0.000 1.034 716 N HN 0.453 nan 8.380 nan 0.000 0.475 717 Y N -2.410 117.986 120.300 0.160 0.000 2.624 717 Y HA 0.618 5.169 4.550 0.001 0.000 0.334 717 Y C -1.689 174.359 175.900 0.246 0.000 1.155 717 Y CA -1.386 56.817 58.100 0.172 0.000 1.046 717 Y CB 0.700 39.218 38.460 0.098 0.000 1.316 717 Y HN -0.257 nan 8.280 nan 0.000 0.457 718 L N 2.941 124.334 121.223 0.283 0.000 2.354 718 L HA 0.706 5.047 4.340 0.001 0.000 0.269 718 L C -0.480 176.590 176.870 0.334 0.000 1.005 718 L CA -1.150 53.797 54.840 0.179 0.000 0.819 718 L CB 2.281 44.281 42.059 -0.098 0.000 1.311 718 L HN 0.669 nan 8.230 nan 0.000 0.423 719 R N -0.056 120.613 120.500 0.282 0.000 2.346 719 R HA 0.221 4.562 4.340 0.001 0.000 0.311 719 R C 0.463 176.886 176.300 0.206 0.000 0.983 719 R CA -0.774 55.486 56.100 0.266 0.000 0.880 719 R CB 1.496 31.925 30.300 0.215 0.000 1.100 719 R HN 0.587 nan 8.270 nan 0.000 0.453 720 H N 2.386 121.531 119.070 0.126 0.000 2.321 720 H HA -0.223 4.334 4.556 0.001 0.000 0.295 720 H C 0.897 176.081 175.328 -0.240 0.000 1.102 720 H CA 2.454 58.490 56.048 -0.020 0.000 1.266 720 H CB 0.504 30.203 29.762 -0.104 0.000 1.363 720 H HN 0.632 nan 8.280 nan 0.000 0.492 721 E N -0.044 120.130 120.200 -0.044 0.000 2.107 721 E HA -0.107 4.243 4.350 0.001 0.000 0.191 721 E C 1.914 178.487 176.600 -0.045 0.000 0.982 721 E CA 1.170 57.532 56.400 -0.064 0.000 0.809 721 E CB -0.014 29.693 29.700 0.012 0.000 0.756 721 E HN 0.590 nan 8.360 nan 0.000 0.459 722 D N 0.310 120.704 120.400 -0.010 0.000 2.117 722 D HA -0.118 4.522 4.640 0.001 0.000 0.197 722 D C 1.986 178.354 176.300 0.112 0.000 0.987 722 D CA 0.739 54.739 54.000 -0.000 0.000 0.829 722 D CB -0.171 40.621 40.800 -0.013 0.000 0.961 722 D HN 0.176 nan 8.370 nan 0.000 0.460 723 L N -0.130 121.127 121.223 0.056 0.000 2.017 723 L HA -0.173 4.168 4.340 0.001 0.000 0.208 723 L C 2.438 179.250 176.870 -0.097 0.000 1.073 723 L CA 0.847 55.697 54.840 0.017 0.000 0.745 723 L CB -0.421 41.527 42.059 -0.185 0.000 0.894 723 L HN -0.032 nan 8.230 nan 0.000 0.432 724 F N 0.863 120.458 119.950 -0.592 0.000 2.269 724 F HA -0.174 4.353 4.527 0.001 0.000 0.301 724 F C 2.420 178.061 175.800 -0.264 0.000 1.082 724 F CA 1.075 58.636 58.000 -0.732 0.000 1.360 724 F CB -0.600 38.058 39.000 -0.570 0.000 1.041 724 F HN 0.030 nan 8.300 nan 0.000 0.512 725 K N -0.279 120.154 120.400 0.055 0.000 2.283 725 K HA 0.155 4.475 4.320 0.001 0.000 0.202 725 K C 1.282 177.952 176.600 0.118 0.000 1.048 725 K CA 0.614 56.939 56.287 0.063 0.000 0.948 725 K CB -0.454 32.062 32.500 0.027 0.000 0.742 725 K HN 0.358 nan 8.250 nan 0.000 0.458 726 G N -0.155 108.767 108.800 0.203 0.000 2.681 726 G HA2 0.045 4.006 3.960 0.001 0.000 0.220 726 G HA3 0.045 4.006 3.960 0.001 0.000 0.220 726 G C 0.240 175.270 174.900 0.216 0.000 1.353 726 G CA -0.393 44.860 45.100 0.256 0.000 0.872 726 G HN 0.658 nan 8.290 nan 0.000 0.557 727 G N -3.026 105.873 108.800 0.164 0.000 2.395 727 G HA2 0.515 4.475 3.960 0.001 0.000 0.201 727 G HA3 0.515 4.475 3.960 0.001 0.000 0.201 727 G C -0.203 174.766 174.900 0.115 0.000 1.206 727 G CA 0.594 45.781 45.100 0.144 0.000 1.210 727 G HN 2.334 nan 8.290 nan 0.000 0.557 728 T N 0.616 115.251 114.554 0.134 0.000 2.928 728 T HA 0.642 4.993 4.350 0.001 0.000 0.296 728 T C -0.403 174.314 174.700 0.028 0.000 1.000 728 T CA -0.215 61.920 62.100 0.059 0.000 0.989 728 T CB 1.498 70.399 68.868 0.055 0.000 1.005 728 T HN 0.629 nan 8.240 nan 0.000 0.442 729 I N 2.823 123.338 120.570 -0.091 0.000 2.404 729 I HA 0.481 4.651 4.170 0.001 0.000 0.293 729 I C -0.317 175.756 176.117 -0.074 0.000 0.992 729 I CA -0.944 60.254 61.300 -0.171 0.000 1.149 729 I CB 1.764 39.532 38.000 -0.386 0.000 1.315 729 I HN 0.237 nan 8.210 nan 0.000 0.446 730 K N 5.012 125.390 120.400 -0.036 0.000 2.265 730 K HA 0.563 4.884 4.320 0.001 0.000 0.267 730 K C -1.230 175.370 176.600 -0.000 0.000 0.994 730 K CA -0.368 55.915 56.287 -0.006 0.000 0.860 730 K CB 1.716 34.227 32.500 0.017 0.000 1.099 730 K HN 0.255 nan 8.250 nan 0.000 0.448 731 V N 2.737 122.654 119.914 0.005 0.000 2.350 731 V HA 0.212 4.333 4.120 0.001 0.000 0.285 731 V C -0.686 175.422 176.094 0.024 0.000 1.014 731 V CA -1.027 61.286 62.300 0.022 0.000 0.831 731 V CB 1.397 33.235 31.823 0.024 0.000 1.000 731 V HN 0.652 nan 8.190 nan 0.000 0.433 732 D N 5.741 126.159 120.400 0.030 0.000 2.339 732 D HA 0.364 5.004 4.640 0.001 0.000 0.241 732 D C 0.016 176.330 176.300 0.023 0.000 1.183 732 D CA -0.276 53.737 54.000 0.022 0.000 0.859 732 D CB 0.644 41.456 40.800 0.020 0.000 1.067 732 D HN 0.227 nan 8.370 nan 0.000 0.484 733 M N 2.083 121.691 119.600 0.013 0.000 2.288 733 M HA 0.388 4.868 4.480 0.001 0.000 0.334 733 M C 0.180 176.474 176.300 -0.010 0.000 1.150 733 M CA -0.553 54.751 55.300 0.007 0.000 1.118 733 M CB 0.939 33.536 32.600 -0.006 0.000 1.501 733 M HN 0.387 nan 8.290 nan 0.000 0.462 734 S N 0.724 116.413 115.700 -0.017 0.000 2.596 734 S HA 0.463 4.933 4.470 0.001 0.000 0.270 734 S C 0.168 174.723 174.600 -0.075 0.000 1.155 734 S CA -0.670 57.506 58.200 -0.040 0.000 0.827 734 S CB 1.068 64.247 63.200 -0.035 0.000 1.130 734 S HN 0.746 nan 8.310 nan 0.000 0.467 735 N N 1.714 120.355 118.700 -0.099 0.000 2.336 735 N HA 0.126 4.867 4.740 0.001 0.000 0.189 735 N C -0.106 175.364 175.510 -0.068 0.000 1.113 735 N CA 0.083 53.045 53.050 -0.146 0.000 0.858 735 N CB -0.024 38.389 38.487 -0.123 0.000 0.970 735 N HN 0.330 nan 8.380 nan 0.000 0.471 736 R N 1.091 121.513 120.500 -0.130 0.000 2.562 736 R HA 0.471 4.812 4.340 0.001 0.000 0.298 736 R C -2.687 173.227 176.300 -0.642 0.000 0.961 736 R CA -1.876 54.020 56.100 -0.341 0.000 0.881 736 R CB 1.637 31.787 30.300 -0.250 0.000 1.159 736 R HN 0.139 nan 8.270 nan 0.000 0.450 737 P HA 0.035 nan 4.420 nan 0.000 0.275 737 P C -0.519 176.421 177.300 -0.600 0.000 1.228 737 P CA -0.370 62.074 63.100 -1.094 0.000 0.786 737 P CB 0.614 31.598 31.700 -1.193 0.000 0.927 738 N N 2.802 121.279 118.700 -0.372 0.000 2.558 738 N HA 0.073 4.814 4.740 0.001 0.000 0.233 738 N C 0.673 175.928 175.510 -0.424 0.000 1.038 738 N CA -0.298 52.578 53.050 -0.291 0.000 0.934 738 N CB -0.294 38.130 38.487 -0.104 0.000 1.175 738 N HN 0.096 nan 8.380 nan 0.000 0.512 739 L N 2.502 123.313 121.223 -0.687 0.000 2.549 739 L HA 0.052 4.393 4.340 0.001 0.000 0.229 739 L C 1.059 177.705 176.870 -0.373 0.000 1.158 739 L CA 0.852 55.088 54.840 -1.006 0.000 0.842 739 L CB -0.593 40.999 42.059 -0.778 0.000 0.952 739 L HN 0.544 nan 8.230 nan 0.000 0.452 740 N N -1.001 117.600 118.700 -0.165 0.000 2.184 740 N HA 0.074 4.815 4.740 0.001 0.000 0.206 740 N C 0.527 176.071 175.510 0.056 0.000 1.151 740 N CA -0.007 53.031 53.050 -0.020 0.000 0.878 740 N CB 0.977 39.436 38.487 -0.046 0.000 1.014 740 N HN 0.248 nan 8.380 nan 0.000 0.512 741 R N 0.333 120.894 120.500 0.101 0.000 2.407 741 R HA 0.404 4.744 4.340 0.001 0.000 0.303 741 R C 0.415 176.842 176.300 0.211 0.000 0.981 741 R CA 0.218 56.398 56.100 0.133 0.000 0.905 741 R CB 0.642 31.011 30.300 0.116 0.000 1.099 741 R HN 0.155 nan 8.270 nan 0.000 0.459 742 G N 2.516 111.402 108.800 0.143 0.000 2.198 742 G HA2 -0.290 3.670 3.960 0.001 0.000 0.257 742 G HA3 -0.290 3.670 3.960 0.001 0.000 0.257 742 G C 0.478 175.459 174.900 0.136 0.000 1.042 742 G CA 0.732 45.910 45.100 0.129 0.000 0.791 742 G HN 0.753 nan 8.290 nan 0.000 0.502 743 T N -3.237 111.402 114.554 0.141 0.000 2.990 743 T HA 0.376 4.727 4.350 0.001 0.000 0.250 743 T C 1.081 175.835 174.700 0.091 0.000 1.041 743 T CA 0.647 62.829 62.100 0.137 0.000 1.010 743 T CB 0.704 69.680 68.868 0.180 0.000 1.003 743 T HN 0.450 nan 8.240 nan 0.000 0.499 744 K N 1.702 122.146 120.400 0.073 0.000 2.202 744 K HA 0.204 4.525 4.320 0.001 0.000 0.264 744 K C 1.423 178.054 176.600 0.052 0.000 1.010 744 K CA -0.422 55.898 56.287 0.055 0.000 0.940 744 K CB 0.708 33.234 32.500 0.043 0.000 0.983 744 K HN -0.052 nan 8.250 nan 0.000 0.475 745 E N 2.355 122.581 120.200 0.044 0.000 2.085 745 E HA -0.245 4.105 4.350 0.001 0.000 0.194 745 E C 1.143 177.776 176.600 0.054 0.000 0.994 745 E CA 1.591 58.016 56.400 0.041 0.000 0.801 745 E CB 0.240 29.958 29.700 0.030 0.000 0.743 745 E HN 0.672 nan 8.360 nan 0.000 0.453 746 E N 0.132 120.366 120.200 0.057 0.000 2.482 746 E HA -0.133 4.217 4.350 0.001 0.000 0.196 746 E C 0.757 177.420 176.600 0.105 0.000 1.047 746 E CA 0.585 57.032 56.400 0.078 0.000 0.869 746 E CB -0.117 29.617 29.700 0.057 0.000 0.836 746 E HN 0.192 nan 8.360 nan 0.000 0.520 747 D N 0.419 120.868 120.400 0.082 0.000 2.347 747 D HA 0.037 4.678 4.640 0.001 0.000 0.213 747 D C 0.493 176.897 176.300 0.172 0.000 0.985 747 D CA 0.369 54.419 54.000 0.085 0.000 0.879 747 D CB 0.118 40.947 40.800 0.049 0.000 0.919 747 D HN 0.166 nan 8.370 nan 0.000 0.526 748 M N 1.474 121.155 119.600 0.135 0.000 2.233 748 M HA 0.260 4.740 4.480 0.001 0.000 0.350 748 M C -2.101 174.186 176.300 -0.023 0.000 1.176 748 M CA -2.126 53.197 55.300 0.038 0.000 1.150 748 M CB 0.282 32.889 32.600 0.012 0.000 1.530 748 M HN -0.263 nan 8.290 nan 0.000 0.459 749 P HA 0.113 nan 4.420 nan 0.000 0.277 749 P C -0.816 176.402 177.300 -0.137 0.000 1.276 749 P CA -0.467 62.343 63.100 -0.482 0.000 0.788 749 P CB 0.250 31.632 31.700 -0.529 0.000 1.114 750 Y N 0.350 120.551 120.300 -0.164 0.000 2.712 750 Y HA 0.159 4.709 4.550 0.001 0.000 0.333 750 Y C -0.222 175.758 175.900 0.132 0.000 1.225 750 Y CA 1.295 59.402 58.100 0.011 0.000 1.499 750 Y CB 0.084 38.560 38.460 0.027 0.000 1.288 750 Y HN 0.172 nan 8.280 nan 0.000 0.575 751 S N 6.985 122.322 115.700 -0.604 0.000 2.547 751 S HA 0.184 4.654 4.470 0.001 0.000 0.281 751 S C 0.027 174.165 174.600 -0.770 0.000 1.118 751 S CA -0.802 57.077 58.200 -0.535 0.000 0.947 751 S CB 1.054 64.109 63.200 -0.241 0.000 1.053 751 S HN 0.744 nan 8.310 nan 0.000 0.482 752 F N 3.013 122.627 119.950 -0.560 0.000 2.171 752 F HA -0.074 4.454 4.527 0.001 0.000 0.300 752 F C 2.243 177.989 175.800 -0.089 0.000 1.090 752 F CA 1.632 59.547 58.000 -0.142 0.000 1.293 752 F CB -0.616 38.493 39.000 0.182 0.000 1.013 752 F HN 0.560 nan 8.300 nan 0.000 0.486 753 S N 0.103 115.677 115.700 -0.210 0.000 2.400 753 S HA -0.178 4.293 4.470 0.001 0.000 0.232 753 S C 1.972 176.442 174.600 -0.216 0.000 1.025 753 S CA 1.225 59.276 58.200 -0.248 0.000 0.993 753 S CB -0.247 62.864 63.200 -0.149 0.000 0.808 753 S HN 0.410 nan 8.310 nan 0.000 0.478 754 K N 0.759 121.040 120.400 -0.199 0.000 2.243 754 K HA 0.021 4.341 4.320 0.001 0.000 0.201 754 K C 2.159 178.700 176.600 -0.098 0.000 1.051 754 K CA 0.504 56.707 56.287 -0.140 0.000 0.970 754 K CB -0.065 32.357 32.500 -0.130 0.000 0.755 754 K HN 0.440 nan 8.250 nan 0.000 0.465 755 E N 1.000 121.141 120.200 -0.097 0.000 2.031 755 E HA -0.178 4.173 4.350 0.001 0.000 0.193 755 E C 1.556 178.170 176.600 0.024 0.000 0.994 755 E CA 0.862 57.303 56.400 0.069 0.000 0.800 755 E CB 0.150 30.052 29.700 0.338 0.000 0.752 755 E HN 0.017 nan 8.360 nan 0.000 0.447 756 L N 1.566 122.716 121.223 -0.122 0.000 2.549 756 L HA -0.012 4.328 4.340 0.001 0.000 0.230 756 L C 0.318 177.134 176.870 -0.090 0.000 1.162 756 L CA 1.147 55.900 54.840 -0.146 0.000 0.834 756 L CB -1.256 40.597 42.059 -0.344 0.000 0.947 756 L HN 0.187 nan 8.230 nan 0.000 0.452 757 E N 0.000 120.156 120.200 -0.074 0.000 2.725 757 E HA 0.000 4.350 4.350 0.001 0.000 0.291 757 E CA 0.000 56.370 56.400 -0.050 0.000 0.976 757 E CB 0.000 29.688 29.700 -0.020 0.000 0.812 757 E HN 0.000 nan 8.360 nan 0.000 0.440