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 2ww1_1_B 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 YSFSKEL 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 0.000 175.983 176.600 -1.029 0.000 0.988 20 K CA 0.000 55.875 56.287 -0.686 0.000 0.838 20 K CB 0.000 32.031 32.500 -0.781 0.000 1.064 21 D N 1.482 121.383 120.400 -0.832 0.000 2.274 21 D HA 0.495 5.133 4.640 -0.004 0.000 0.239 21 D C 0.358 176.179 176.300 -0.799 0.000 1.104 21 D CA -0.315 53.294 54.000 -0.651 0.000 0.840 21 D CB 0.535 41.097 40.800 -0.396 0.000 1.100 21 D HN 0.555 nan 8.370 nan 0.000 0.477 22 W N 2.166 123.338 121.300 -0.215 0.000 2.907 22 W HA -0.023 4.634 4.660 -0.004 0.000 0.271 22 W C 1.962 178.349 176.519 -0.219 0.000 1.253 22 W CA 0.673 57.837 57.345 -0.303 0.000 1.501 22 W CB -0.575 28.638 29.460 -0.412 0.000 1.047 22 W HN 0.542 nan 8.180 nan 0.000 0.610 23 T N -0.444 114.145 114.554 0.059 0.000 2.897 23 T HA -0.301 4.047 4.350 -0.004 0.000 0.271 23 T C 1.677 176.346 174.700 -0.052 0.000 1.084 23 T CA 1.722 63.853 62.100 0.052 0.000 1.123 23 T CB -0.443 68.531 68.868 0.177 0.000 0.865 23 T HN 0.395 nan 8.240 nan 0.000 0.496 24 Q N -0.163 119.510 119.800 -0.212 0.000 2.291 24 Q HA -0.150 4.187 4.340 -0.004 0.000 0.206 24 Q C 1.402 177.261 176.000 -0.235 0.000 0.976 24 Q CA 1.291 56.922 55.803 -0.287 0.000 0.875 24 Q CB -0.708 27.745 28.738 -0.475 0.000 0.927 24 Q HN 0.634 nan 8.270 nan 0.000 0.450 25 Y N 0.640 120.964 120.300 0.040 0.000 2.523 25 Y HA 0.212 4.759 4.550 -0.004 0.000 0.279 25 Y C 0.698 176.666 175.900 0.113 0.000 1.139 25 Y CA -0.577 57.601 58.100 0.132 0.000 1.296 25 Y CB 0.476 39.095 38.460 0.265 0.000 1.045 25 Y HN -0.113 nan 8.280 nan 0.000 0.538 26 V N 2.112 122.104 119.914 0.129 0.000 2.488 26 V HA 0.084 4.202 4.120 -0.004 0.000 0.277 26 V C -0.097 175.926 176.094 -0.118 0.000 1.046 26 V CA -0.559 61.720 62.300 -0.035 0.000 0.986 26 V CB 0.875 32.510 31.823 -0.314 0.000 0.989 26 V HN 0.214 nan 8.190 nan 0.000 0.475 27 N N 6.840 125.495 118.700 -0.075 0.000 2.626 27 N HA 0.415 5.152 4.740 -0.004 0.000 0.242 27 N C -2.017 173.448 175.510 -0.074 0.000 1.005 27 N CA -2.185 50.825 53.050 -0.066 0.000 0.905 27 N CB 2.080 40.568 38.487 0.001 0.000 1.128 27 N HN 0.199 nan 8.380 nan 0.000 0.512 28 P HA 0.018 nan 4.420 nan 0.000 0.230 28 P C 0.994 178.313 177.300 0.033 0.000 1.158 28 P CA 0.742 63.794 63.100 -0.081 0.000 0.769 28 P CB 0.344 31.931 31.700 -0.189 0.000 0.807 29 L N -2.095 119.157 121.223 0.048 0.000 2.478 29 L HA 0.100 4.437 4.340 -0.004 0.000 0.223 29 L C 1.428 178.358 176.870 0.099 0.000 1.140 29 L CA 0.018 54.928 54.840 0.116 0.000 0.842 29 L CB -0.633 41.527 42.059 0.168 0.000 0.953 29 L HN 0.108 nan 8.230 nan 0.000 0.452 30 M N 0.911 120.559 119.600 0.080 0.000 2.356 30 M HA 0.152 4.630 4.480 -0.004 0.000 0.348 30 M C 1.048 177.472 176.300 0.207 0.000 1.595 30 M CA 1.199 56.545 55.300 0.078 0.000 1.095 30 M CB 0.111 32.737 32.600 0.043 0.000 1.963 30 M HN 0.265 nan 8.290 nan 0.000 0.459 31 G N 2.176 111.092 108.800 0.194 0.000 2.176 31 G HA2 -0.295 3.663 3.960 -0.004 0.000 0.232 31 G HA3 -0.295 3.663 3.960 -0.004 0.000 0.232 31 G C 0.663 175.691 174.900 0.214 0.000 0.986 31 G CA 0.590 45.852 45.100 0.269 0.000 0.643 31 G HN 0.919 nan 8.290 nan 0.000 0.522 32 S N -0.735 115.103 115.700 0.229 0.000 2.515 32 S HA 0.120 4.588 4.470 -0.004 0.000 0.231 32 S C 1.214 176.006 174.600 0.320 0.000 0.987 32 S CA 1.349 59.757 58.200 0.346 0.000 0.936 32 S CB 0.132 63.664 63.200 0.553 0.000 0.766 32 S HN 0.625 nan 8.310 nan 0.000 0.528 33 Q N 1.723 121.647 119.800 0.205 0.000 3.207 33 Q HA 0.399 4.737 4.340 -0.004 0.000 0.335 33 Q C -1.055 175.038 176.000 0.154 0.000 1.374 33 Q CA -0.277 55.632 55.803 0.175 0.000 1.023 33 Q CB -0.112 28.660 28.738 0.058 0.000 1.576 33 Q HN 0.363 nan 8.270 nan 0.000 0.515 34 S N 0.067 115.888 115.700 0.201 0.000 2.568 34 S HA 0.688 5.156 4.470 -0.004 0.000 0.293 34 S C -0.636 174.071 174.600 0.179 0.000 1.089 34 S CA -0.656 57.667 58.200 0.206 0.000 0.945 34 S CB 1.931 65.297 63.200 0.276 0.000 1.077 34 S HN 0.575 nan 8.310 nan 0.000 0.485 35 T N -1.116 113.493 114.554 0.092 0.000 2.883 35 T HA 0.531 4.879 4.350 -0.004 0.000 0.296 35 T C 0.651 175.289 174.700 -0.102 0.000 1.117 35 T CA -0.748 61.283 62.100 -0.116 0.000 1.006 35 T CB 0.579 69.396 68.868 -0.084 0.000 1.191 35 T HN 0.340 nan 8.240 nan 0.000 0.508 36 F N 1.695 121.304 119.950 -0.569 0.000 2.111 36 F HA -0.140 4.384 4.527 -0.005 0.000 0.300 36 F C 1.959 177.775 175.800 0.026 0.000 1.088 36 F CA 2.146 59.970 58.000 -0.294 0.000 1.243 36 F CB -0.209 38.525 39.000 -0.442 0.000 0.996 36 F HN 0.729 nan 8.300 nan 0.000 0.483 37 E N -0.337 119.892 120.200 0.048 0.000 2.299 37 E HA 0.139 4.486 4.350 -0.004 0.000 0.193 37 E C -0.382 176.233 176.600 0.024 0.000 0.998 37 E CA 0.528 56.946 56.400 0.029 0.000 0.851 37 E CB 0.228 29.977 29.700 0.081 0.000 0.795 37 E HN 0.286 nan 8.360 nan 0.000 0.492 38 L N -0.024 121.216 121.223 0.027 0.000 2.611 38 L HA 0.298 4.635 4.340 -0.004 0.000 0.263 38 L C -1.090 175.816 176.870 0.059 0.000 0.969 38 L CA -0.328 54.544 54.840 0.053 0.000 0.894 38 L CB 1.920 44.003 42.059 0.039 0.000 1.229 38 L HN -0.168 nan 8.230 nan 0.000 0.416 39 S N 1.460 117.201 115.700 0.069 0.000 2.545 39 S HA 0.479 4.946 4.470 -0.004 0.000 0.275 39 S C 0.823 175.489 174.600 0.111 0.000 1.299 39 S CA 0.298 58.550 58.200 0.087 0.000 1.048 39 S CB 0.726 63.968 63.200 0.071 0.000 0.938 39 S HN 0.737 nan 8.310 nan 0.000 0.496 40 T N 1.282 115.911 114.554 0.124 0.000 3.248 40 T HA 0.560 4.908 4.350 -0.004 0.000 0.271 40 T C 1.068 175.898 174.700 0.216 0.000 1.005 40 T CA 0.182 62.364 62.100 0.136 0.000 0.902 40 T CB 0.020 68.947 68.868 0.099 0.000 1.102 40 T HN 1.181 nan 8.240 nan 0.000 0.548 41 G N 1.599 110.493 108.800 0.157 0.000 3.006 41 G HA2 -0.189 3.768 3.960 -0.004 0.000 0.195 41 G HA3 -0.189 3.768 3.960 -0.004 0.000 0.195 41 G C 0.254 175.167 174.900 0.021 0.000 1.034 41 G CA -0.234 44.904 45.100 0.064 0.000 0.807 41 G HN 0.416 nan 8.290 nan 0.000 0.469 42 N N 1.506 120.255 118.700 0.081 0.000 2.725 42 N HA -0.156 4.582 4.740 -0.004 0.000 0.251 42 N C 0.492 175.985 175.510 -0.029 0.000 1.031 42 N CA 2.005 55.062 53.050 0.012 0.000 0.720 42 N CB -1.509 36.935 38.487 -0.071 0.000 0.930 42 N HN 1.404 nan 8.380 nan 0.000 0.543 43 T N -2.478 112.101 114.554 0.042 0.000 2.937 43 T HA 0.755 5.103 4.350 -0.004 0.000 0.283 43 T C -0.017 174.757 174.700 0.124 0.000 1.012 43 T CA -0.723 61.374 62.100 -0.004 0.000 0.997 43 T CB 1.971 70.834 68.868 -0.008 0.000 1.136 43 T HN 0.238 nan 8.240 nan 0.000 0.551 44 Y N -2.445 117.902 120.300 0.079 0.000 2.576 44 Y HA 0.738 5.285 4.550 -0.005 0.000 0.346 44 Y C -3.131 172.744 175.900 -0.043 0.000 1.018 44 Y CA -3.582 54.545 58.100 0.046 0.000 1.050 44 Y CB 0.401 38.888 38.460 0.045 0.000 1.280 44 Y HN 0.363 nan 8.280 nan 0.000 0.474 45 P HA 0.223 nan 4.420 nan 0.000 0.271 45 P C -0.702 176.593 177.300 -0.008 0.000 1.380 45 P CA 0.132 63.165 63.100 -0.112 0.000 0.992 45 P CB 0.200 31.711 31.700 -0.315 0.000 1.230 46 A N 5.916 128.702 122.820 -0.058 0.000 2.437 46 A HA 0.299 4.616 4.320 -0.004 0.000 0.303 46 A C 0.266 177.780 177.584 -0.117 0.000 1.324 46 A CA -0.358 51.598 52.037 -0.136 0.000 0.983 46 A CB -0.589 18.081 19.000 -0.550 0.000 1.142 46 A HN 0.347 nan 8.150 nan 0.000 0.541 47 I N 2.180 122.729 120.570 -0.035 0.000 2.322 47 I HA 0.566 4.733 4.170 -0.004 0.000 0.292 47 I C 0.576 176.753 176.117 0.100 0.000 1.060 47 I CA 0.001 61.309 61.300 0.012 0.000 1.309 47 I CB -0.466 37.544 38.000 0.018 0.000 1.415 47 I HN 0.689 nan 8.210 nan 0.000 0.492 48 A N 7.020 129.933 122.820 0.155 0.000 2.586 48 A HA 0.718 5.036 4.320 -0.004 0.000 0.291 48 A C -0.483 177.366 177.584 0.442 0.000 1.062 48 A CA -0.886 51.293 52.037 0.236 0.000 0.666 48 A CB 1.624 20.570 19.000 -0.090 0.000 1.281 48 A HN 0.443 nan 8.150 nan 0.000 0.421 49 R N -0.083 120.602 120.500 0.309 0.000 2.577 49 R HA 0.503 4.840 4.340 -0.004 0.000 0.269 49 R C -2.646 173.598 176.300 -0.093 0.000 1.084 49 R CA -2.041 54.108 56.100 0.082 0.000 1.163 49 R CB -0.355 29.970 30.300 0.042 0.000 1.100 49 R HN 0.426 nan 8.270 nan 0.000 0.547 50 P HA -0.079 nan 4.420 nan 0.000 0.265 50 P C -0.276 176.893 177.300 -0.219 0.000 1.193 50 P CA 0.287 62.833 63.100 -0.925 0.000 0.765 50 P CB 0.228 31.128 31.700 -1.332 0.000 0.823 51 W N 0.155 121.502 121.300 0.079 0.000 5.400 51 W HA -0.163 4.496 4.660 -0.003 0.000 0.357 51 W C 0.661 177.305 176.519 0.209 0.000 1.291 51 W CA 0.831 58.289 57.345 0.188 0.000 0.911 51 W CB -2.470 27.132 29.460 0.237 0.000 2.382 51 W HN 0.471 nan 8.180 nan 0.000 1.557 52 G N 0.803 109.871 108.800 0.446 0.000 2.353 52 G HA2 0.193 4.151 3.960 -0.004 0.000 0.239 52 G HA3 0.193 4.151 3.960 -0.004 0.000 0.239 52 G C 0.844 175.871 174.900 0.211 0.000 1.295 52 G CA 0.244 45.564 45.100 0.367 0.000 0.884 52 G HN 0.279 nan 8.290 nan 0.000 0.537 53 M N 1.858 121.547 119.600 0.147 0.000 2.117 53 M HA -0.038 4.439 4.480 -0.004 0.000 0.262 53 M C 0.221 176.642 176.300 0.201 0.000 1.065 53 M CA 1.148 56.540 55.300 0.154 0.000 1.114 53 M CB -0.002 32.666 32.600 0.114 0.000 1.361 53 M HN 0.421 nan 8.290 nan 0.000 0.408 54 N N 0.163 118.969 118.700 0.176 0.000 2.392 54 N HA 0.285 5.023 4.740 -0.004 0.000 0.283 54 N C -1.513 174.066 175.510 0.116 0.000 1.003 54 N CA -0.285 52.775 53.050 0.017 0.000 0.892 54 N CB 1.191 39.745 38.487 0.110 0.000 1.193 54 N HN -0.001 nan 8.380 nan 0.000 0.487 55 F N 0.593 120.351 119.950 -0.319 0.000 2.432 55 F HA 0.488 5.013 4.527 -0.004 0.000 0.329 55 F C -0.028 175.557 175.800 -0.358 0.000 1.076 55 F CA -1.242 56.673 58.000 -0.143 0.000 1.018 55 F CB 0.759 39.737 39.000 -0.036 0.000 1.201 55 F HN 0.308 nan 8.300 nan 0.000 0.489 56 W N 0.471 121.834 121.300 0.105 0.000 2.785 56 W HA 0.556 5.213 4.660 -0.004 0.000 0.333 56 W C -0.333 176.153 176.519 -0.056 0.000 1.062 56 W CA -0.532 56.804 57.345 -0.015 0.000 1.233 56 W CB 2.183 31.622 29.460 -0.036 0.000 1.413 56 W HN 0.393 nan 8.180 nan 0.000 0.489 57 T N 4.218 118.828 114.554 0.095 0.000 2.923 57 T HA 0.489 4.836 4.350 -0.004 0.000 0.311 57 T C -2.845 171.773 174.700 -0.137 0.000 1.183 57 T CA -2.199 59.855 62.100 -0.076 0.000 1.020 57 T CB 1.510 70.327 68.868 -0.085 0.000 1.165 57 T HN 0.077 nan 8.240 nan 0.000 0.482 58 P HA 0.162 nan 4.420 nan 0.000 0.271 58 P C -1.172 176.037 177.300 -0.152 0.000 1.216 58 P CA -0.161 62.702 63.100 -0.396 0.000 0.776 58 P CB 0.507 31.926 31.700 -0.468 0.000 0.881 59 Q N 1.569 121.226 119.800 -0.238 0.000 2.348 59 Q HA 0.289 4.627 4.340 -0.004 0.000 0.265 59 Q C 0.573 176.490 176.000 -0.138 0.000 0.998 59 Q CA -0.377 55.358 55.803 -0.114 0.000 0.831 59 Q CB 0.993 29.667 28.738 -0.106 0.000 1.251 59 Q HN 0.518 nan 8.270 nan 0.000 0.456 60 T N -0.293 114.211 114.554 -0.083 0.000 3.015 60 T HA 0.272 4.619 4.350 -0.004 0.000 0.250 60 T C 0.832 175.472 174.700 -0.101 0.000 1.057 60 T CA 0.334 62.355 62.100 -0.132 0.000 1.066 60 T CB 0.342 69.091 68.868 -0.199 0.000 0.959 60 T HN 0.494 nan 8.240 nan 0.000 0.488 61 G N 1.279 110.047 108.800 -0.053 0.000 2.507 61 G HA2 0.492 4.450 3.960 -0.004 0.000 0.271 61 G HA3 0.492 4.450 3.960 -0.004 0.000 0.271 61 G C -0.611 174.256 174.900 -0.055 0.000 1.189 61 G CA -0.866 44.214 45.100 -0.032 0.000 0.859 61 G HN 0.381 nan 8.290 nan 0.000 0.542 62 K N 0.646 121.010 120.400 -0.060 0.000 2.258 62 K HA 0.095 4.413 4.320 -0.004 0.000 0.264 62 K C 0.757 177.300 176.600 -0.096 0.000 1.007 62 K CA -0.307 55.927 56.287 -0.089 0.000 0.941 62 K CB 1.029 33.479 32.500 -0.083 0.000 0.966 62 K HN 0.555 nan 8.250 nan 0.000 0.480 63 M N 1.564 121.054 119.600 -0.184 0.000 2.290 63 M HA -0.100 4.377 4.480 -0.004 0.000 0.356 63 M C 0.734 176.954 176.300 -0.133 0.000 1.448 63 M CA 1.986 57.119 55.300 -0.277 0.000 0.993 63 M CB -0.252 31.982 32.600 -0.610 0.000 1.934 63 M HN 0.990 nan 8.290 nan 0.000 0.461 64 G N 3.137 111.920 108.800 -0.028 0.000 2.234 64 G HA2 -0.225 3.733 3.960 -0.004 0.000 0.235 64 G HA3 -0.225 3.733 3.960 -0.004 0.000 0.235 64 G C -0.128 174.787 174.900 0.025 0.000 0.997 64 G CA 0.166 45.272 45.100 0.011 0.000 0.623 64 G HN 0.777 nan 8.290 nan 0.000 0.514 65 D N 1.173 121.589 120.400 0.026 0.000 2.308 65 D HA 0.457 5.095 4.640 -0.004 0.000 0.251 65 D C 1.668 178.008 176.300 0.067 0.000 1.127 65 D CA 0.605 54.651 54.000 0.077 0.000 0.876 65 D CB 0.949 41.798 40.800 0.083 0.000 1.176 65 D HN 0.187 nan 8.370 nan 0.000 0.446 66 G N 3.534 112.374 108.800 0.067 0.000 2.471 66 G HA2 -0.195 3.763 3.960 -0.004 0.000 0.219 66 G HA3 -0.195 3.763 3.960 -0.004 0.000 0.219 66 G C 0.669 175.367 174.900 -0.337 0.000 1.125 66 G CA -0.125 44.838 45.100 -0.229 0.000 0.775 66 G HN 0.586 nan 8.290 nan 0.000 0.548 67 W N 2.214 123.453 121.300 -0.101 0.000 1.738 67 W HA 0.234 4.891 4.660 -0.005 0.000 0.399 67 W C 1.314 177.816 176.519 -0.029 0.000 0.744 67 W CA -0.518 56.791 57.345 -0.059 0.000 1.695 67 W CB -0.033 29.386 29.460 -0.068 0.000 1.820 67 W HN 0.522 nan 8.180 nan 0.000 0.262 68 Q N 0.743 120.583 119.800 0.067 0.000 2.311 68 Q HA -0.128 4.209 4.340 -0.004 0.000 0.203 68 Q C -0.051 176.020 176.000 0.118 0.000 0.954 68 Q CA 1.080 56.903 55.803 0.034 0.000 0.885 68 Q CB 0.198 28.881 28.738 -0.092 0.000 0.963 68 Q HN 0.359 nan 8.270 nan 0.000 0.471 69 Y N 1.437 121.776 120.300 0.065 0.000 2.361 69 Y HA 0.352 4.900 4.550 -0.005 0.000 0.328 69 Y C -1.332 174.687 175.900 0.198 0.000 1.044 69 Y CA -0.682 57.486 58.100 0.114 0.000 1.085 69 Y CB 2.008 40.542 38.460 0.123 0.000 1.194 69 Y HN 0.095 nan 8.280 nan 0.000 0.438 70 T N 1.898 116.387 114.554 -0.107 0.000 2.863 70 T HA 0.191 4.538 4.350 -0.004 0.000 0.285 70 T C 0.286 174.931 174.700 -0.092 0.000 1.009 70 T CA -0.547 61.581 62.100 0.046 0.000 0.989 70 T CB 1.227 70.145 68.868 0.083 0.000 1.004 70 T HN 0.750 nan 8.240 nan 0.000 0.455 71 Y N 2.909 123.241 120.300 0.052 0.000 2.207 71 Y HA -0.158 4.389 4.550 -0.005 0.000 0.287 71 Y C 2.735 178.720 175.900 0.143 0.000 1.156 71 Y CA 2.452 60.623 58.100 0.118 0.000 1.182 71 Y CB -0.275 38.225 38.460 0.067 0.000 0.979 71 Y HN 0.888 nan 8.280 nan 0.000 0.521 72 T N -1.459 113.160 114.554 0.109 0.000 3.118 72 T HA 0.227 4.575 4.350 -0.004 0.000 0.260 72 T C 0.876 175.503 174.700 -0.122 0.000 1.139 72 T CA 0.207 62.314 62.100 0.011 0.000 1.085 72 T CB -0.699 68.195 68.868 0.043 0.000 0.934 72 T HN 0.361 nan 8.240 nan 0.000 0.518 73 A N 1.892 124.612 122.820 -0.166 0.000 2.462 73 A HA 0.386 4.704 4.320 -0.004 0.000 0.243 73 A C 1.165 178.524 177.584 -0.375 0.000 1.076 73 A CA -0.543 51.352 52.037 -0.237 0.000 0.773 73 A CB 0.173 19.048 19.000 -0.208 0.000 1.010 73 A HN 0.340 nan 8.150 nan 0.000 0.493 74 N N 0.460 118.852 118.700 -0.513 0.000 2.405 74 N HA 0.045 4.783 4.740 -0.004 0.000 0.175 74 N C -0.228 174.862 175.510 -0.700 0.000 1.051 74 N CA 0.928 53.437 53.050 -0.902 0.000 0.899 74 N CB 0.202 37.740 38.487 -1.581 0.000 1.000 74 N HN 0.646 nan 8.380 nan 0.000 0.451 75 K N 0.392 120.583 120.400 -0.348 0.000 2.426 75 K HA 0.498 4.815 4.320 -0.004 0.000 0.251 75 K C -0.763 175.808 176.600 -0.048 0.000 0.941 75 K CA -0.541 55.654 56.287 -0.154 0.000 0.808 75 K CB 2.680 34.998 32.500 -0.303 0.000 1.265 75 K HN -0.163 nan 8.250 nan 0.000 0.432 76 I N 3.057 123.570 120.570 -0.094 0.000 2.377 76 I HA 0.276 4.444 4.170 -0.004 0.000 0.293 76 I C 1.304 177.299 176.117 -0.203 0.000 0.987 76 I CA -0.427 60.714 61.300 -0.265 0.000 1.185 76 I CB 1.223 38.922 38.000 -0.501 0.000 1.341 76 I HN 0.665 nan 8.210 nan 0.000 0.455 77 R N 4.168 124.543 120.500 -0.209 0.000 2.476 77 R HA 0.499 4.837 4.340 -0.004 0.000 0.276 77 R C 0.165 176.378 176.300 -0.144 0.000 0.941 77 R CA -0.130 55.883 56.100 -0.146 0.000 1.088 77 R CB 1.003 31.224 30.300 -0.133 0.000 1.216 77 R HN 0.736 nan 8.270 nan 0.000 0.533 78 G N 0.580 109.232 108.800 -0.247 0.000 2.356 78 G HA2 0.414 4.371 3.960 -0.004 0.000 0.294 78 G HA3 0.414 4.371 3.960 -0.004 0.000 0.294 78 G C -1.973 172.679 174.900 -0.413 0.000 1.423 78 G CA -0.897 44.099 45.100 -0.174 0.000 0.806 78 G HN 0.030 nan 8.290 nan 0.000 0.527 79 F N 0.994 121.002 119.950 0.097 0.000 2.403 79 F HA 0.613 5.137 4.527 -0.005 0.000 0.355 79 F C 0.456 176.398 175.800 0.237 0.000 1.119 79 F CA -0.689 57.434 58.000 0.206 0.000 1.007 79 F CB 2.408 41.647 39.000 0.398 0.000 1.194 79 F HN 0.367 nan 8.300 nan 0.000 0.443 80 K N 3.244 123.746 120.400 0.170 0.000 2.221 80 K HA 0.349 4.667 4.320 -0.004 0.000 0.258 80 K C -0.785 175.398 176.600 -0.695 0.000 0.944 80 K CA -0.697 55.456 56.287 -0.225 0.000 0.823 80 K CB 1.633 34.004 32.500 -0.215 0.000 1.113 80 K HN 0.710 nan 8.250 nan 0.000 0.431 81 Q N 2.464 121.389 119.800 -1.458 0.000 2.286 81 Q HA 0.154 4.491 4.340 -0.004 0.000 0.257 81 Q C -1.196 174.183 176.000 -1.036 0.000 0.941 81 Q CA 0.058 54.737 55.803 -1.873 0.000 0.912 81 Q CB 1.421 28.947 28.738 -2.019 0.000 1.192 81 Q HN 0.660 nan 8.270 nan 0.000 0.410 82 T N 2.124 116.144 114.554 -0.890 0.000 2.883 82 T HA 0.403 4.751 4.350 -0.004 0.000 0.301 82 T C -0.888 173.330 174.700 -0.802 0.000 1.158 82 T CA -0.457 61.257 62.100 -0.643 0.000 1.007 82 T CB 1.024 69.583 68.868 -0.516 0.000 1.186 82 T HN 0.800 nan 8.240 nan 0.000 0.499 83 H N 0.502 119.370 119.070 -0.337 0.000 3.078 83 H HA 0.360 4.914 4.556 -0.004 0.000 0.263 83 H C 0.543 175.844 175.328 -0.046 0.000 1.177 83 H CA -0.359 55.492 56.048 -0.329 0.000 1.128 83 H CB 0.598 29.905 29.762 -0.759 0.000 1.623 83 H HN 0.456 nan 8.280 nan 0.000 0.592 84 Q N 3.698 123.547 119.800 0.081 0.000 2.255 84 Q HA 0.018 4.356 4.340 -0.004 0.000 0.280 84 Q C -1.599 174.661 176.000 0.432 0.000 1.068 84 Q CA -1.406 54.506 55.803 0.182 0.000 0.911 84 Q CB 1.050 29.797 28.738 0.015 0.000 1.157 84 Q HN 0.201 nan 8.270 nan 0.000 0.380 85 P HA 0.002 nan 4.420 nan 0.000 0.230 85 P C -0.536 176.762 177.300 -0.003 0.000 1.168 85 P CA 0.563 63.699 63.100 0.059 0.000 0.793 85 P CB 0.490 32.285 31.700 0.158 0.000 0.851 86 S N -2.457 113.259 115.700 0.025 0.000 2.578 86 S HA 0.359 4.827 4.470 -0.004 0.000 0.272 86 S C -2.719 171.713 174.600 -0.279 0.000 1.145 86 S CA -1.047 57.104 58.200 -0.081 0.000 0.835 86 S CB 1.363 64.588 63.200 0.041 0.000 1.104 86 S HN -0.243 nan 8.310 nan 0.000 0.458 87 P HA 0.015 nan 4.420 nan 0.000 0.221 87 P C 0.693 177.489 177.300 -0.839 0.000 1.150 87 P CA 1.005 63.474 63.100 -1.053 0.000 0.800 87 P CB -0.233 30.144 31.700 -2.205 0.000 0.787 88 W N -0.147 120.999 121.300 -0.257 0.000 2.409 88 W HA 0.010 4.668 4.660 -0.004 0.000 0.299 88 W C 2.276 178.694 176.519 -0.168 0.000 1.203 88 W CA -0.109 57.156 57.345 -0.134 0.000 1.298 88 W CB -0.985 28.419 29.460 -0.094 0.000 1.127 88 W HN -0.205 nan 8.180 nan 0.000 0.528 89 I N 0.012 120.551 120.570 -0.051 0.000 2.500 89 I HA -0.122 4.046 4.170 -0.004 0.000 0.252 89 I C 1.277 177.347 176.117 -0.078 0.000 1.142 89 I CA 1.087 62.291 61.300 -0.160 0.000 1.451 89 I CB -1.525 36.272 38.000 -0.339 0.000 1.093 89 I HN 0.194 nan 8.210 nan 0.000 0.430 90 N N 0.860 119.510 118.700 -0.083 0.000 6.506 90 N HA -0.207 4.530 4.740 -0.004 0.000 0.396 90 N C -0.346 175.178 175.510 0.023 0.000 0.931 90 N CA 1.080 54.100 53.050 -0.050 0.000 1.204 90 N CB -0.433 38.040 38.487 -0.023 0.000 0.829 90 N HN 0.196 nan 8.380 nan 0.000 0.351 91 D N -0.983 119.445 120.400 0.047 0.000 2.467 91 D HA 0.771 5.408 4.640 -0.004 0.000 0.245 91 D C -0.918 175.487 176.300 0.176 0.000 1.038 91 D CA 0.072 54.104 54.000 0.055 0.000 1.038 91 D CB 1.058 41.844 40.800 -0.024 0.000 1.278 91 D HN 0.463 nan 8.370 nan 0.000 0.564 92 Y N -3.125 117.245 120.300 0.118 0.000 2.662 92 Y HA 0.459 5.007 4.550 -0.004 0.000 0.334 92 Y C 0.123 176.248 175.900 0.374 0.000 1.185 92 Y CA -0.969 57.224 58.100 0.154 0.000 1.074 92 Y CB 0.760 39.187 38.460 -0.056 0.000 1.330 92 Y HN 0.534 nan 8.280 nan 0.000 0.458 93 G N 2.288 111.494 108.800 0.675 0.000 2.359 93 G HA2 -0.112 3.846 3.960 -0.004 0.000 0.298 93 G HA3 -0.112 3.846 3.960 -0.004 0.000 0.298 93 G C -0.820 174.236 174.900 0.260 0.000 1.030 93 G CA 0.404 45.852 45.100 0.580 0.000 1.149 93 G HN 0.984 nan 8.290 nan 0.000 0.512 94 Q N -0.682 119.148 119.800 0.049 0.000 2.330 94 Q HA 0.820 5.157 4.340 -0.004 0.000 0.269 94 Q C -0.317 175.288 176.000 -0.658 0.000 1.022 94 Q CA -1.225 54.341 55.803 -0.396 0.000 0.796 94 Q CB 1.976 30.424 28.738 -0.484 0.000 1.271 94 Q HN 0.974 nan 8.270 nan 0.000 0.450 95 F N -0.787 118.667 119.950 -0.827 0.000 2.685 95 F HA 0.854 5.379 4.527 -0.004 0.000 0.315 95 F C -1.196 174.337 175.800 -0.446 0.000 1.126 95 F CA -0.840 56.720 58.000 -0.734 0.000 0.950 95 F CB 1.555 40.209 39.000 -0.577 0.000 1.360 95 F HN 0.676 nan 8.300 nan 0.000 0.469 96 S N 1.312 116.998 115.700 -0.024 0.000 2.618 96 S HA 0.832 5.299 4.470 -0.004 0.000 0.277 96 S C -1.708 173.010 174.600 0.197 0.000 1.138 96 S CA -0.735 57.491 58.200 0.043 0.000 0.844 96 S CB 1.981 65.290 63.200 0.181 0.000 1.127 96 S HN 1.181 nan 8.310 nan 0.000 0.474 97 I N 1.179 121.853 120.570 0.174 0.000 2.647 97 I HA 0.779 4.947 4.170 -0.004 0.000 0.295 97 I C -1.891 174.322 176.117 0.160 0.000 1.078 97 I CA -1.122 60.255 61.300 0.128 0.000 1.048 97 I CB 2.139 40.132 38.000 -0.012 0.000 1.239 97 I HN 0.908 nan 8.210 nan 0.000 0.421 98 M N 10.362 130.008 119.600 0.076 0.000 2.238 98 M HA 0.551 5.029 4.480 -0.004 0.000 0.278 98 M C -2.937 173.307 176.300 -0.094 0.000 1.040 98 M CA -1.807 53.543 55.300 0.083 0.000 0.969 98 M CB 2.352 34.985 32.600 0.056 0.000 1.694 98 M HN 0.139 nan 8.290 nan 0.000 0.472 99 P HA 0.621 nan 4.420 nan 0.000 0.282 99 P C -1.179 176.006 177.300 -0.192 0.000 1.249 99 P CA -0.300 62.612 63.100 -0.312 0.000 0.806 99 P CB 0.843 32.121 31.700 -0.702 0.000 0.984 100 I N -0.234 120.236 120.570 -0.168 0.000 3.181 100 I HA 0.771 4.939 4.170 -0.004 0.000 0.311 100 I C -0.860 175.188 176.117 -0.116 0.000 1.287 100 I CA -1.499 59.472 61.300 -0.548 0.000 0.958 100 I CB 2.202 39.886 38.000 -0.528 0.000 1.294 100 I HN 0.221 nan 8.210 nan 0.000 0.467 101 V N -0.222 119.612 119.914 -0.134 0.000 3.102 101 V HA 1.063 5.181 4.120 -0.004 0.000 0.312 101 V C 0.284 176.454 176.094 0.127 0.000 1.135 101 V CA 0.418 62.772 62.300 0.089 0.000 1.022 101 V CB 0.753 32.667 31.823 0.152 0.000 1.056 101 V HN 1.954 nan 8.190 nan 0.000 0.436 102 G N 1.378 110.285 108.800 0.177 0.000 3.035 102 G HA2 -0.100 3.857 3.960 -0.004 0.000 0.242 102 G HA3 -0.100 3.857 3.960 -0.004 0.000 0.242 102 G C -0.415 174.558 174.900 0.121 0.000 1.524 102 G CA 0.136 45.321 45.100 0.143 0.000 1.038 102 G HN 1.059 nan 8.290 nan 0.000 0.561 103 Q N 2.514 122.313 119.800 -0.002 0.000 2.243 103 Q HA 0.479 4.817 4.340 -0.004 0.000 0.252 103 Q C -2.269 173.524 176.000 -0.344 0.000 0.909 103 Q CA -1.657 54.058 55.803 -0.147 0.000 0.922 103 Q CB 1.629 30.296 28.738 -0.118 0.000 1.215 103 Q HN 0.490 nan 8.270 nan 0.000 0.427 104 P HA 0.069 nan 4.420 nan 0.000 0.275 104 P C -0.652 176.394 177.300 -0.424 0.000 1.276 104 P CA -0.078 62.424 63.100 -0.997 0.000 0.782 104 P CB 0.385 31.282 31.700 -1.338 0.000 0.851 105 V N 1.222 120.973 119.914 -0.272 0.000 2.656 105 V HA 0.442 4.559 4.120 -0.004 0.000 0.307 105 V C 0.221 176.295 176.094 -0.033 0.000 1.051 105 V CA -0.715 61.517 62.300 -0.113 0.000 0.893 105 V CB 1.786 33.560 31.823 -0.082 0.000 0.999 105 V HN 0.340 nan 8.190 nan 0.000 0.426 106 F N 1.881 121.753 119.950 -0.129 0.000 2.559 106 F HA 0.364 4.889 4.527 -0.003 0.000 0.286 106 F C 1.210 176.957 175.800 -0.087 0.000 1.108 106 F CA 0.188 58.121 58.000 -0.112 0.000 1.436 106 F CB 0.188 39.108 39.000 -0.134 0.000 1.130 106 F HN 0.829 nan 8.300 nan 0.000 0.584 107 D N 1.302 121.674 120.400 -0.047 0.000 2.583 107 D HA -0.127 4.511 4.640 -0.004 0.000 0.232 107 D C 1.380 177.570 176.300 -0.184 0.000 1.128 107 D CA 0.750 54.692 54.000 -0.096 0.000 0.859 107 D CB 0.640 41.421 40.800 -0.032 0.000 1.169 107 D HN 0.612 nan 8.370 nan 0.000 0.481 108 E N 2.381 122.462 120.200 -0.198 0.000 2.274 108 E HA -0.193 4.154 4.350 -0.004 0.000 0.194 108 E C 0.890 177.412 176.600 -0.129 0.000 0.996 108 E CA 0.886 57.165 56.400 -0.200 0.000 0.840 108 E CB -0.008 29.572 29.700 -0.201 0.000 0.772 108 E HN 0.655 nan 8.360 nan 0.000 0.491 109 E N 1.069 121.212 120.200 -0.096 0.000 2.086 109 E HA -0.063 4.285 4.350 -0.004 0.000 0.190 109 E C 1.922 178.492 176.600 -0.050 0.000 0.975 109 E CA 0.672 57.029 56.400 -0.073 0.000 0.813 109 E CB 0.037 29.701 29.700 -0.060 0.000 0.768 109 E HN 0.075 nan 8.360 nan 0.000 0.457 110 K N 1.173 121.548 120.400 -0.041 0.000 2.147 110 K HA -0.132 4.185 4.320 -0.004 0.000 0.205 110 K C 2.158 178.767 176.600 0.015 0.000 1.049 110 K CA 1.189 57.468 56.287 -0.014 0.000 0.936 110 K CB -0.057 32.431 32.500 -0.020 0.000 0.722 110 K HN 0.084 nan 8.250 nan 0.000 0.446 111 R N -0.014 120.480 120.500 -0.010 0.000 2.275 111 R HA 0.229 4.566 4.340 -0.004 0.000 0.199 111 R C 0.349 176.725 176.300 0.127 0.000 0.989 111 R CA 0.344 56.471 56.100 0.044 0.000 1.016 111 R CB -0.012 30.256 30.300 -0.052 0.000 0.918 111 R HN -0.024 nan 8.270 nan 0.000 0.473 112 A N 1.460 124.295 122.820 0.025 0.000 2.445 112 A HA 0.283 4.601 4.320 -0.004 0.000 0.242 112 A C -0.273 177.288 177.584 -0.038 0.000 1.075 112 A CA -0.010 52.016 52.037 -0.017 0.000 0.777 112 A CB 0.768 19.721 19.000 -0.079 0.000 1.013 112 A HN 0.357 nan 8.150 nan 0.000 0.493 113 S N 0.980 116.641 115.700 -0.066 0.000 2.532 113 S HA 0.496 4.963 4.470 -0.004 0.000 0.299 113 S C -0.754 173.866 174.600 0.033 0.000 1.105 113 S CA -0.558 57.580 58.200 -0.103 0.000 1.018 113 S CB 0.239 63.305 63.200 -0.224 0.000 1.021 113 S HN 0.574 nan 8.310 nan 0.000 0.483 114 W N 4.436 125.704 121.300 -0.052 0.000 2.345 114 W HA 0.304 4.965 4.660 0.002 0.000 0.346 114 W C 0.241 176.833 176.519 0.120 0.000 1.243 114 W CA 0.712 58.058 57.345 0.001 0.000 1.327 114 W CB 0.286 29.710 29.460 -0.059 0.000 1.187 114 W HN 0.605 nan 8.180 nan 0.000 0.588 115 F N 0.413 120.464 119.950 0.168 0.000 2.779 115 F HA 0.854 5.380 4.527 -0.002 0.000 0.316 115 F C -1.222 174.623 175.800 0.075 0.000 1.164 115 F CA -1.874 56.187 58.000 0.102 0.000 0.924 115 F CB 0.504 39.520 39.000 0.026 0.000 1.348 115 F HN 0.435 nan 8.300 nan 0.000 0.467 116 A N 0.017 122.723 122.820 -0.190 0.000 2.498 116 A HA 0.564 4.881 4.320 -0.004 0.000 0.298 116 A C -0.064 177.399 177.584 -0.202 0.000 1.075 116 A CA -0.706 51.083 52.037 -0.413 0.000 0.714 116 A CB 0.640 19.584 19.000 -0.093 0.000 1.299 116 A HN 0.979 nan 8.150 nan 0.000 0.407 117 H N 0.795 119.810 119.070 -0.091 0.000 2.456 117 H HA -0.076 4.477 4.556 -0.005 0.000 0.296 117 H C 1.021 176.433 175.328 0.140 0.000 1.079 117 H CA 1.873 57.989 56.048 0.114 0.000 1.322 117 H CB 0.163 29.969 29.762 0.075 0.000 1.388 117 H HN 0.678 nan 8.280 nan 0.000 0.538 118 K N 0.188 120.696 120.400 0.180 0.000 2.442 118 K HA -0.016 4.302 4.320 -0.004 0.000 0.198 118 K C 1.728 178.398 176.600 0.116 0.000 1.042 118 K CA 0.709 57.075 56.287 0.132 0.000 0.958 118 K CB 0.266 32.821 32.500 0.092 0.000 0.766 118 K HN 0.182 nan 8.250 nan 0.000 0.474 119 G N 0.802 109.693 108.800 0.152 0.000 3.502 119 G HA2 -0.014 3.943 3.960 -0.004 0.000 0.267 119 G HA3 -0.014 3.943 3.960 -0.004 0.000 0.267 119 G C -0.523 174.485 174.900 0.180 0.000 1.090 119 G CA -0.233 44.970 45.100 0.172 0.000 0.795 119 G HN 0.130 nan 8.290 nan 0.000 0.535 120 E N 0.433 120.727 120.200 0.157 0.000 2.248 120 E HA 0.519 4.866 4.350 -0.004 0.000 0.267 120 E C -1.573 175.014 176.600 -0.022 0.000 0.877 120 E CA -0.521 55.917 56.400 0.065 0.000 0.759 120 E CB 2.629 32.491 29.700 0.271 0.000 1.182 120 E HN -0.105 nan 8.360 nan 0.000 0.418 121 V N 2.670 122.456 119.914 -0.214 0.000 2.407 121 V HA 0.651 4.768 4.120 -0.004 0.000 0.291 121 V C -0.497 175.420 176.094 -0.296 0.000 1.018 121 V CA -0.640 61.567 62.300 -0.154 0.000 0.842 121 V CB 1.244 33.040 31.823 -0.046 0.000 0.996 121 V HN 0.735 nan 8.190 nan 0.000 0.426 122 A N 3.744 126.492 122.820 -0.120 0.000 2.304 122 A HA 0.905 5.223 4.320 -0.004 0.000 0.314 122 A C 0.051 177.555 177.584 -0.135 0.000 1.187 122 A CA -0.274 51.736 52.037 -0.044 0.000 0.810 122 A CB 1.376 20.459 19.000 0.140 0.000 1.183 122 A HN 0.936 nan 8.150 nan 0.000 0.487 123 T N -0.441 113.965 114.554 -0.246 0.000 2.887 123 T HA 0.697 5.045 4.350 -0.004 0.000 0.292 123 T C -2.527 171.878 174.700 -0.493 0.000 1.087 123 T CA -1.816 60.014 62.100 -0.451 0.000 1.009 123 T CB 1.745 70.154 68.868 -0.764 0.000 1.203 123 T HN 0.120 nan 8.240 nan 0.000 0.518 124 P HA 0.028 nan 4.420 nan 0.000 0.222 124 P C 0.652 177.869 177.300 -0.138 0.000 1.147 124 P CA 0.832 63.592 63.100 -0.568 0.000 0.790 124 P CB -0.347 30.581 31.700 -1.286 0.000 0.780 125 Y N -4.314 115.978 120.300 -0.013 0.000 2.481 125 Y HA 0.494 5.042 4.550 -0.004 0.000 0.247 125 Y C 0.036 176.041 175.900 0.174 0.000 1.151 125 Y CA -1.197 56.997 58.100 0.156 0.000 1.238 125 Y CB -0.110 38.470 38.460 0.199 0.000 1.179 125 Y HN -0.180 nan 8.280 nan 0.000 0.524 126 Y N 0.603 120.690 120.300 -0.354 0.000 2.357 126 Y HA 0.441 4.988 4.550 -0.005 0.000 0.319 126 Y C -2.434 173.353 175.900 -0.189 0.000 1.225 126 Y CA -2.249 55.708 58.100 -0.238 0.000 1.095 126 Y CB 0.858 39.159 38.460 -0.265 0.000 1.302 126 Y HN 0.075 nan 8.280 nan 0.000 0.429 127 Y N 6.400 126.272 120.300 -0.714 0.000 2.425 127 Y HA 0.675 5.224 4.550 -0.003 0.000 0.344 127 Y C -1.459 173.981 175.900 -0.767 0.000 0.969 127 Y CA -0.850 56.905 58.100 -0.576 0.000 1.052 127 Y CB 1.550 39.844 38.460 -0.275 0.000 1.215 127 Y HN 0.691 nan 8.280 nan 0.000 0.451 128 K N 5.249 124.984 120.400 -1.108 0.000 2.464 128 K HA 0.790 5.107 4.320 -0.004 0.000 0.253 128 K C -2.465 173.766 176.600 -0.615 0.000 0.933 128 K CA -0.846 55.025 56.287 -0.693 0.000 0.801 128 K CB 2.303 34.541 32.500 -0.436 0.000 1.271 128 K HN 0.582 nan 8.250 nan 0.000 0.430 129 V N 4.135 123.931 119.914 -0.197 0.000 3.048 129 V HA 0.402 4.519 4.120 -0.004 0.000 0.303 129 V C -2.057 174.148 176.094 0.185 0.000 1.214 129 V CA -0.731 61.578 62.300 0.016 0.000 0.984 129 V CB 1.840 33.741 31.823 0.130 0.000 1.054 129 V HN 0.810 nan 8.190 nan 0.000 0.430 130 Y N 6.147 126.510 120.300 0.107 0.000 2.383 130 Y HA 0.632 5.180 4.550 -0.003 0.000 0.344 130 Y C -0.342 175.666 175.900 0.180 0.000 0.986 130 Y CA -0.660 57.515 58.100 0.125 0.000 1.175 130 Y CB 1.130 39.650 38.460 0.100 0.000 1.152 130 Y HN 0.583 nan 8.280 nan 0.000 0.511 131 L N 7.783 128.826 121.223 -0.301 0.000 2.282 131 L HA 0.359 4.697 4.340 -0.004 0.000 0.287 131 L C 1.258 177.805 176.870 -0.538 0.000 1.075 131 L CA -0.174 54.528 54.840 -0.230 0.000 0.839 131 L CB 0.824 42.870 42.059 -0.021 0.000 1.219 131 L HN 0.912 nan 8.230 nan 0.000 0.434 132 A N 2.630 125.249 122.820 -0.335 0.000 1.972 132 A HA -0.138 4.180 4.320 -0.004 0.000 0.219 132 A C 1.961 179.447 177.584 -0.163 0.000 1.169 132 A CA 1.336 53.227 52.037 -0.242 0.000 0.635 132 A CB -0.166 18.869 19.000 0.058 0.000 0.810 132 A HN 0.817 nan 8.150 nan 0.000 0.446 133 E N -1.370 118.711 120.200 -0.198 0.000 2.371 133 E HA -0.066 4.282 4.350 -0.004 0.000 0.194 133 E C 0.891 177.368 176.600 -0.206 0.000 1.012 133 E CA 0.613 56.886 56.400 -0.211 0.000 0.860 133 E CB -0.022 29.534 29.700 -0.240 0.000 0.811 133 E HN 0.725 nan 8.360 nan 0.000 0.502 134 H N -0.239 118.815 119.070 -0.028 0.000 2.827 134 H HA 0.056 4.610 4.556 -0.003 0.000 0.269 134 H C 0.046 175.375 175.328 0.001 0.000 1.031 134 H CA 0.258 56.310 56.048 0.008 0.000 1.202 134 H CB 0.463 30.236 29.762 0.017 0.000 1.511 134 H HN 0.059 nan 8.280 nan 0.000 0.517 135 D N 0.788 121.184 120.400 -0.007 0.000 2.699 135 D HA -0.182 4.455 4.640 -0.004 0.000 0.239 135 D C -0.727 175.623 176.300 0.084 0.000 1.136 135 D CA 0.300 54.325 54.000 0.043 0.000 0.668 135 D CB -1.643 39.267 40.800 0.183 0.000 1.060 135 D HN 0.400 nan 8.370 nan 0.000 0.429 136 I N -0.108 120.424 120.570 -0.063 0.000 2.509 136 I HA 0.365 4.532 4.170 -0.004 0.000 0.293 136 I C 0.293 176.428 176.117 0.030 0.000 1.020 136 I CA -1.234 60.053 61.300 -0.022 0.000 1.088 136 I CB 2.117 40.050 38.000 -0.111 0.000 1.267 136 I HN -0.213 nan 8.210 nan 0.000 0.430 137 V N 4.679 124.662 119.914 0.114 0.000 2.439 137 V HA 0.355 4.473 4.120 -0.004 0.000 0.282 137 V C 0.115 176.254 176.094 0.076 0.000 1.039 137 V CA -0.237 62.154 62.300 0.152 0.000 0.913 137 V CB 1.475 33.394 31.823 0.160 0.000 0.983 137 V HN 0.728 nan 8.190 nan 0.000 0.460 138 T N 5.326 119.918 114.554 0.064 0.000 2.797 138 T HA 0.531 4.879 4.350 -0.004 0.000 0.279 138 T C -0.465 174.133 174.700 -0.170 0.000 0.991 138 T CA -0.559 61.511 62.100 -0.050 0.000 0.979 138 T CB 1.085 69.814 68.868 -0.232 0.000 0.943 138 T HN 0.755 nan 8.240 nan 0.000 0.444 139 E N 2.950 122.993 120.200 -0.263 0.000 2.256 139 E HA 0.701 5.048 4.350 -0.004 0.000 0.267 139 E C -0.491 175.811 176.600 -0.496 0.000 0.892 139 E CA -0.943 55.244 56.400 -0.355 0.000 0.775 139 E CB 2.213 31.791 29.700 -0.203 0.000 1.207 139 E HN 0.636 nan 8.360 nan 0.000 0.420 140 M N -0.531 118.729 119.600 -0.568 0.000 2.433 140 M HA 0.586 5.064 4.480 -0.004 0.000 0.290 140 M C -1.273 174.766 176.300 -0.435 0.000 1.173 140 M CA -0.817 54.023 55.300 -0.767 0.000 0.905 140 M CB 2.226 34.036 32.600 -1.317 0.000 1.692 140 M HN 0.390 nan 8.290 nan 0.000 0.462 141 T N 0.444 114.783 114.554 -0.359 0.000 2.965 141 T HA 0.701 5.048 4.350 -0.004 0.000 0.306 141 T C -3.094 171.515 174.700 -0.151 0.000 0.991 141 T CA -1.326 60.705 62.100 -0.115 0.000 1.001 141 T CB 1.518 70.408 68.868 0.037 0.000 0.984 141 T HN 0.590 nan 8.240 nan 0.000 0.446 142 P HA 0.455 nan 4.420 nan 0.000 0.281 142 P C 0.051 177.397 177.300 0.078 0.000 1.264 142 P CA -0.281 62.808 63.100 -0.018 0.000 0.824 142 P CB 1.587 33.355 31.700 0.113 0.000 1.092 143 T N -2.829 111.780 114.554 0.092 0.000 2.797 143 T HA 0.303 4.651 4.350 -0.004 0.000 0.267 143 T C 1.223 176.017 174.700 0.156 0.000 0.986 143 T CA -0.403 61.763 62.100 0.110 0.000 0.999 143 T CB 0.232 69.149 68.868 0.081 0.000 1.508 143 T HN 0.307 nan 8.240 nan 0.000 0.595 144 E N 0.223 120.502 120.200 0.131 0.000 2.110 144 E HA -0.056 4.291 4.350 -0.004 0.000 0.193 144 E C 1.924 178.625 176.600 0.168 0.000 0.988 144 E CA 0.953 57.440 56.400 0.144 0.000 0.804 144 E CB 0.014 29.767 29.700 0.089 0.000 0.745 144 E HN 0.445 nan 8.360 nan 0.000 0.458 145 R N -1.368 119.227 120.500 0.158 0.000 2.544 145 R HA 0.336 4.673 4.340 -0.004 0.000 0.303 145 R C -0.171 176.269 176.300 0.234 0.000 0.939 145 R CA -0.031 56.175 56.100 0.176 0.000 1.102 145 R CB 1.613 31.978 30.300 0.107 0.000 1.440 145 R HN -0.065 nan 8.270 nan 0.000 0.532 146 A N 0.497 123.443 122.820 0.210 0.000 2.485 146 A HA 0.816 5.133 4.320 -0.004 0.000 0.292 146 A C -1.388 176.250 177.584 0.090 0.000 1.147 146 A CA -0.650 51.496 52.037 0.182 0.000 0.750 146 A CB 2.216 21.284 19.000 0.114 0.000 1.331 146 A HN -0.056 nan 8.150 nan 0.000 0.419 147 V N 0.100 119.983 119.914 -0.052 0.000 3.048 147 V HA 0.653 4.771 4.120 -0.004 0.000 0.303 147 V C -2.063 173.864 176.094 -0.280 0.000 1.214 147 V CA -0.569 61.541 62.300 -0.317 0.000 0.984 147 V CB 1.992 33.256 31.823 -0.933 0.000 1.054 147 V HN 1.191 nan 8.190 nan 0.000 0.430 148 L N 5.454 126.479 121.223 -0.330 0.000 2.313 148 L HA 0.719 5.057 4.340 -0.004 0.000 0.283 148 L C -1.234 175.354 176.870 -0.470 0.000 1.013 148 L CA 0.185 54.868 54.840 -0.262 0.000 0.816 148 L CB 1.246 43.209 42.059 -0.160 0.000 1.236 148 L HN 0.570 nan 8.230 nan 0.000 0.419 149 F N 4.266 123.968 119.950 -0.414 0.000 2.422 149 F HA 0.616 5.141 4.527 -0.005 0.000 0.333 149 F C 0.310 175.743 175.800 -0.612 0.000 1.095 149 F CA -0.343 57.286 58.000 -0.618 0.000 1.038 149 F CB 1.421 39.925 39.000 -0.826 0.000 1.156 149 F HN 0.407 nan 8.300 nan 0.000 0.483 150 R N 3.785 123.997 120.500 -0.480 0.000 2.451 150 R HA 0.490 4.827 4.340 -0.004 0.000 0.307 150 R C -2.000 174.055 176.300 -0.409 0.000 0.965 150 R CA -0.468 55.426 56.100 -0.343 0.000 0.865 150 R CB 0.719 30.934 30.300 -0.141 0.000 1.174 150 R HN 0.560 nan 8.270 nan 0.000 0.455 151 F N 2.185 122.165 119.950 0.049 0.000 2.415 151 F HA 0.328 4.852 4.527 -0.005 0.000 0.348 151 F C 0.389 176.135 175.800 -0.089 0.000 1.119 151 F CA -0.791 57.144 58.000 -0.108 0.000 1.069 151 F CB 2.356 41.237 39.000 -0.198 0.000 1.124 151 F HN 0.280 nan 8.300 nan 0.000 0.472 152 T N 4.645 119.218 114.554 0.033 0.000 2.781 152 T HA 0.380 4.727 4.350 -0.004 0.000 0.305 152 T C -0.432 174.287 174.700 0.031 0.000 1.001 152 T CA -0.345 61.804 62.100 0.082 0.000 0.950 152 T CB -0.167 68.757 68.868 0.092 0.000 0.955 152 T HN 0.171 nan 8.240 nan 0.000 0.471 153 F N 5.159 125.211 119.950 0.171 0.000 2.370 153 F HA 0.438 4.962 4.527 -0.004 0.000 0.324 153 F C -1.524 174.347 175.800 0.119 0.000 1.116 153 F CA -2.192 55.897 58.000 0.149 0.000 1.123 153 F CB 0.881 39.968 39.000 0.145 0.000 1.238 153 F HN 0.315 nan 8.300 nan 0.000 0.536 154 P HA 0.047 nan 4.420 nan 0.000 0.278 154 P C -1.070 176.334 177.300 0.174 0.000 1.266 154 P CA -0.573 62.658 63.100 0.217 0.000 0.807 154 P CB 0.633 32.450 31.700 0.196 0.000 1.094 155 E N 1.375 121.641 120.200 0.111 0.000 2.351 155 E HA 0.050 4.398 4.350 -0.004 0.000 0.266 155 E C -0.533 176.095 176.600 0.046 0.000 1.031 155 E CA 0.147 56.585 56.400 0.064 0.000 0.911 155 E CB -0.149 29.578 29.700 0.045 0.000 0.986 155 E HN 0.296 nan 8.360 nan 0.000 0.446 156 N N 3.612 122.313 118.700 0.002 0.000 2.710 156 N HA 0.023 4.761 4.740 -0.004 0.000 0.257 156 N C -0.893 174.530 175.510 -0.145 0.000 1.140 156 N CA -0.470 52.557 53.050 -0.040 0.000 0.953 156 N CB 1.616 40.105 38.487 0.004 0.000 1.664 156 N HN 0.411 nan 8.380 nan 0.000 0.497 157 D N -0.120 120.134 120.400 -0.244 0.000 2.277 157 D HA 0.001 4.638 4.640 -0.004 0.000 0.208 157 D C -0.251 175.622 176.300 -0.711 0.000 0.962 157 D CA 1.255 54.972 54.000 -0.470 0.000 0.865 157 D CB 0.193 40.638 40.800 -0.592 0.000 0.939 157 D HN 0.394 nan 8.370 nan 0.000 0.510 158 H N 0.098 119.040 119.070 -0.214 0.000 2.541 158 H HA 0.405 4.958 4.556 -0.004 0.000 0.246 158 H C -0.450 174.506 175.328 -0.621 0.000 1.341 158 H CA -0.259 55.523 56.048 -0.443 0.000 1.469 158 H CB 0.450 30.099 29.762 -0.189 0.000 1.472 158 H HN -0.212 nan 8.280 nan 0.000 0.503 159 S N 2.273 117.533 115.700 -0.733 0.000 2.509 159 S HA 0.609 5.076 4.470 -0.004 0.000 0.297 159 S C -0.689 173.204 174.600 -1.178 0.000 1.118 159 S CA -0.509 57.264 58.200 -0.711 0.000 1.074 159 S CB 1.117 63.886 63.200 -0.719 0.000 1.038 159 S HN 0.370 nan 8.310 nan 0.000 0.498 160 Y N -0.093 119.963 120.300 -0.407 0.000 2.581 160 Y HA 0.622 5.169 4.550 -0.004 0.000 0.345 160 Y C -0.508 175.225 175.900 -0.278 0.000 1.036 160 Y CA -1.153 56.656 58.100 -0.486 0.000 1.042 160 Y CB 1.363 39.596 38.460 -0.378 0.000 1.289 160 Y HN 0.302 nan 8.280 nan 0.000 0.471 161 V N 2.591 122.423 119.914 -0.138 0.000 2.487 161 V HA 0.459 4.576 4.120 -0.004 0.000 0.298 161 V C -0.738 175.345 176.094 -0.018 0.000 1.028 161 V CA -0.923 61.337 62.300 -0.066 0.000 0.860 161 V CB 1.591 33.440 31.823 0.044 0.000 0.991 161 V HN 0.541 nan 8.190 nan 0.000 0.427 162 V N 5.551 125.468 119.914 0.005 0.000 2.439 162 V HA 0.453 4.571 4.120 -0.004 0.000 0.282 162 V C -0.068 176.113 176.094 0.145 0.000 1.039 162 V CA -0.465 61.879 62.300 0.074 0.000 0.913 162 V CB 1.736 33.574 31.823 0.025 0.000 0.983 162 V HN 0.610 nan 8.190 nan 0.000 0.460 163 V N 3.881 123.932 119.914 0.227 0.000 2.409 163 V HA 0.460 4.578 4.120 -0.004 0.000 0.291 163 V C -0.580 175.753 176.094 0.398 0.000 1.020 163 V CA -0.455 62.015 62.300 0.282 0.000 0.848 163 V CB 1.831 33.824 31.823 0.283 0.000 0.990 163 V HN 0.916 nan 8.190 nan 0.000 0.430 164 D N 3.890 124.535 120.400 0.408 0.000 2.471 164 D HA 0.550 5.187 4.640 -0.004 0.000 0.245 164 D C 0.438 177.101 176.300 0.605 0.000 1.116 164 D CA -0.382 53.958 54.000 0.566 0.000 0.853 164 D CB 2.199 43.210 40.800 0.352 0.000 1.123 164 D HN 0.548 nan 8.370 nan 0.000 0.540 165 A N 3.781 126.963 122.820 0.603 0.000 2.275 165 A HA 0.343 4.660 4.320 -0.004 0.000 0.212 165 A C 0.292 178.245 177.584 0.614 0.000 1.201 165 A CA -0.082 52.275 52.037 0.534 0.000 0.843 165 A CB -0.559 18.724 19.000 0.472 0.000 0.873 165 A HN 0.536 nan 8.150 nan 0.000 0.492 166 F N -0.654 119.482 119.950 0.310 0.000 2.183 166 F HA -0.174 4.350 4.527 -0.004 0.000 0.318 166 F C 0.462 176.175 175.800 -0.146 0.000 0.966 166 F CA 0.455 58.467 58.000 0.018 0.000 0.912 166 F CB -0.885 38.156 39.000 0.069 0.000 4.135 166 F HN 0.571 nan 8.300 nan 0.000 0.137 167 D N 0.442 120.724 120.400 -0.197 0.000 2.560 167 D HA 0.414 5.052 4.640 -0.004 0.000 0.277 167 D C 0.025 176.371 176.300 0.077 0.000 1.194 167 D CA 0.176 54.101 54.000 -0.126 0.000 1.092 167 D CB 0.516 41.171 40.800 -0.241 0.000 1.169 167 D HN 0.518 nan 8.370 nan 0.000 0.607 168 K N -1.341 119.106 120.400 0.079 0.000 3.281 168 K HA -0.044 4.274 4.320 -0.004 0.000 0.295 168 K C 0.351 177.039 176.600 0.148 0.000 1.233 168 K CA 0.969 57.322 56.287 0.110 0.000 0.866 168 K CB -2.312 30.260 32.500 0.119 0.000 1.265 168 K HN 1.358 nan 8.250 nan 0.000 0.482 169 G N 0.228 109.125 108.800 0.162 0.000 3.238 169 G HA2 0.032 3.989 3.960 -0.004 0.000 0.684 169 G HA3 0.032 3.989 3.960 -0.004 0.000 0.684 169 G C -0.260 174.793 174.900 0.255 0.000 1.156 169 G CA -0.011 45.204 45.100 0.193 0.000 1.048 169 G HN 0.863 nan 8.290 nan 0.000 0.462 170 S N 1.074 116.904 115.700 0.216 0.000 2.705 170 S HA 0.900 5.368 4.470 -0.004 0.000 0.280 170 S C -0.971 173.594 174.600 -0.058 0.000 1.174 170 S CA -0.932 57.363 58.200 0.159 0.000 0.823 170 S CB 2.765 66.102 63.200 0.228 0.000 1.162 170 S HN 2.039 nan 8.310 nan 0.000 0.487 171 Y N -0.146 119.841 120.300 -0.522 0.000 2.534 171 Y HA 0.830 5.378 4.550 -0.004 0.000 0.345 171 Y C -1.860 173.826 175.900 -0.356 0.000 1.031 171 Y CA -1.099 56.639 58.100 -0.603 0.000 1.022 171 Y CB 1.490 39.171 38.460 -1.297 0.000 1.292 171 Y HN 0.978 nan 8.280 nan 0.000 0.459 172 I N 4.581 124.581 120.570 -0.951 0.000 2.827 172 I HA 0.539 4.707 4.170 -0.004 0.000 0.298 172 I C -1.958 173.637 176.117 -0.870 0.000 1.235 172 I CA -0.495 60.379 61.300 -0.710 0.000 1.021 172 I CB 2.159 40.002 38.000 -0.263 0.000 1.259 172 I HN 0.680 nan 8.210 nan 0.000 0.427 173 K N 7.289 127.343 120.400 -0.577 0.000 2.553 173 K HA 0.621 4.938 4.320 -0.004 0.000 0.250 173 K C -1.946 174.561 176.600 -0.154 0.000 0.953 173 K CA -0.504 55.568 56.287 -0.357 0.000 0.800 173 K CB 1.389 33.697 32.500 -0.320 0.000 1.243 173 K HN 0.587 nan 8.250 nan 0.000 0.435 174 I N 5.655 126.171 120.570 -0.089 0.000 2.353 174 I HA 0.315 4.483 4.170 -0.004 0.000 0.293 174 I C -0.167 175.990 176.117 0.067 0.000 0.992 174 I CA -0.762 60.548 61.300 0.017 0.000 1.268 174 I CB 1.185 39.174 38.000 -0.020 0.000 1.387 174 I HN 0.504 nan 8.210 nan 0.000 0.478 175 I N 8.342 129.003 120.570 0.152 0.000 2.555 175 I HA 0.232 4.399 4.170 -0.004 0.000 0.275 175 I C -1.762 174.434 176.117 0.133 0.000 1.082 175 I CA -1.514 59.849 61.300 0.105 0.000 1.167 175 I CB 0.983 39.015 38.000 0.054 0.000 1.312 175 I HN 0.350 nan 8.210 nan 0.000 0.493 176 P HA -0.215 nan 4.420 nan 0.000 0.216 176 P C 1.213 178.454 177.300 -0.099 0.000 1.150 176 P CA 1.268 64.390 63.100 0.037 0.000 0.837 176 P CB 0.086 31.836 31.700 0.083 0.000 0.786 177 E N 0.398 120.575 120.200 -0.039 0.000 2.512 177 E HA -0.123 4.225 4.350 -0.004 0.000 0.195 177 E C 0.551 177.121 176.600 -0.050 0.000 1.083 177 E CA 0.820 57.190 56.400 -0.050 0.000 0.873 177 E CB -0.505 29.180 29.700 -0.025 0.000 0.897 177 E HN 0.370 nan 8.360 nan 0.000 0.514 178 E N 0.528 120.698 120.200 -0.050 0.000 2.759 178 E HA 0.112 4.460 4.350 -0.004 0.000 0.220 178 E C -0.614 175.965 176.600 -0.035 0.000 0.974 178 E CA -0.403 55.982 56.400 -0.025 0.000 1.148 178 E CB 0.244 29.953 29.700 0.014 0.000 1.059 178 E HN 0.049 nan 8.360 nan 0.000 0.493 179 N N 2.443 121.028 118.700 -0.193 0.000 2.707 179 N HA -0.222 4.516 4.740 -0.004 0.000 0.253 179 N C -0.717 174.905 175.510 0.187 0.000 0.998 179 N CA 1.264 54.087 53.050 -0.379 0.000 0.751 179 N CB -0.851 37.531 38.487 -0.175 0.000 0.920 179 N HN 0.303 nan 8.380 nan 0.000 0.539 180 K N 0.250 120.860 120.400 0.350 0.000 2.469 180 K HA 0.645 4.963 4.320 -0.004 0.000 0.254 180 K C -1.076 175.793 176.600 0.448 0.000 0.939 180 K CA -0.667 55.872 56.287 0.420 0.000 0.812 180 K CB 1.541 34.158 32.500 0.195 0.000 1.301 180 K HN 0.083 nan 8.250 nan 0.000 0.433 181 I N 5.808 126.613 120.570 0.392 0.000 2.466 181 I HA 0.406 4.574 4.170 -0.004 0.000 0.289 181 I C -0.179 176.039 176.117 0.168 0.000 1.026 181 I CA -1.008 60.447 61.300 0.259 0.000 1.078 181 I CB 1.752 39.942 38.000 0.317 0.000 1.249 181 I HN 0.609 nan 8.210 nan 0.000 0.429 182 I N 2.254 122.819 120.570 -0.009 0.000 2.957 182 I HA 1.076 5.244 4.170 -0.004 0.000 0.310 182 I C -0.129 175.766 176.117 -0.371 0.000 1.063 182 I CA -0.475 60.734 61.300 -0.152 0.000 1.033 182 I CB 2.403 40.215 38.000 -0.314 0.000 1.230 182 I HN 0.633 nan 8.210 nan 0.000 0.447 183 G N 1.837 110.216 108.800 -0.702 0.000 2.441 183 G HA2 0.503 4.460 3.960 -0.004 0.000 0.294 183 G HA3 0.503 4.460 3.960 -0.004 0.000 0.294 183 G C -2.153 172.254 174.900 -0.823 0.000 1.393 183 G CA -0.546 44.087 45.100 -0.780 0.000 0.796 183 G HN 1.045 nan 8.290 nan 0.000 0.494 184 Y N -1.648 118.482 120.300 -0.283 0.000 2.581 184 Y HA 0.881 5.429 4.550 -0.004 0.000 0.345 184 Y C -0.319 175.610 175.900 0.048 0.000 1.036 184 Y CA -1.337 56.592 58.100 -0.286 0.000 1.042 184 Y CB 1.842 39.992 38.460 -0.518 0.000 1.289 184 Y HN 0.771 nan 8.280 nan 0.000 0.471 185 T N 0.157 114.914 114.554 0.338 0.000 2.876 185 T HA 0.505 4.853 4.350 -0.004 0.000 0.289 185 T C 0.234 175.086 174.700 0.253 0.000 1.014 185 T CA 0.131 62.440 62.100 0.348 0.000 0.986 185 T CB 1.268 70.341 68.868 0.342 0.000 1.021 185 T HN 1.132 nan 8.240 nan 0.000 0.458 186 T N 0.932 115.679 114.554 0.320 0.000 2.975 186 T HA 0.305 4.652 4.350 -0.004 0.000 0.261 186 T C 0.811 175.784 174.700 0.455 0.000 0.984 186 T CA -0.393 61.935 62.100 0.381 0.000 0.911 186 T CB -0.110 68.929 68.868 0.285 0.000 1.127 186 T HN 0.624 nan 8.240 nan 0.000 0.514 187 R N 3.302 124.014 120.500 0.353 0.000 2.486 187 R HA 0.094 4.432 4.340 -0.004 0.000 0.303 187 R C -0.170 176.295 176.300 0.276 0.000 0.958 187 R CA 0.655 56.924 56.100 0.282 0.000 1.077 187 R CB 0.076 30.554 30.300 0.296 0.000 0.921 187 R HN 0.720 nan 8.270 nan 0.000 0.406 188 N N 1.312 120.112 118.700 0.166 0.000 3.157 188 N HA 0.149 4.887 4.740 -0.004 0.000 0.291 188 N C -1.065 174.472 175.510 0.044 0.000 1.515 188 N CA -0.916 52.184 53.050 0.083 0.000 0.807 188 N CB 1.678 40.069 38.487 -0.159 0.000 1.672 188 N HN 0.336 nan 8.380 nan 0.000 0.592 189 S N -1.174 114.531 115.700 0.007 0.000 2.664 189 S HA 0.511 4.978 4.470 -0.004 0.000 0.245 189 S C 0.499 175.071 174.600 -0.048 0.000 1.019 189 S CA 0.068 58.267 58.200 -0.001 0.000 0.996 189 S CB -0.232 62.979 63.200 0.018 0.000 0.878 189 S HN 1.119 nan 8.310 nan 0.000 0.493 190 G N 0.419 109.164 108.800 -0.091 0.000 2.603 190 G HA2 0.366 4.323 3.960 -0.004 0.000 0.686 190 G HA3 0.366 4.323 3.960 -0.004 0.000 0.686 190 G C 0.379 175.165 174.900 -0.190 0.000 1.286 190 G CA -0.406 44.628 45.100 -0.109 0.000 0.871 190 G HN 1.207 nan 8.290 nan 0.000 0.568 191 G N -2.404 106.295 108.800 -0.168 0.000 2.221 191 G HA2 0.269 4.226 3.960 -0.004 0.000 0.265 191 G HA3 0.269 4.226 3.960 -0.004 0.000 0.265 191 G C 0.880 175.573 174.900 -0.345 0.000 1.041 191 G CA 1.532 46.498 45.100 -0.223 0.000 0.807 191 G HN 2.462 nan 8.290 nan 0.000 0.502 192 V N -3.476 116.262 119.914 -0.293 0.000 2.914 192 V HA 0.947 5.065 4.120 -0.004 0.000 0.314 192 V C -1.882 174.164 176.094 -0.079 0.000 1.084 192 V CA -2.641 59.484 62.300 -0.292 0.000 0.963 192 V CB 1.906 33.415 31.823 -0.523 0.000 1.025 192 V HN 0.070 nan 8.190 nan 0.000 0.432 193 P HA 0.347 nan 4.420 nan 0.000 0.272 193 P C 0.449 177.840 177.300 0.153 0.000 1.240 193 P CA -0.217 62.939 63.100 0.094 0.000 0.791 193 P CB 0.761 32.532 31.700 0.117 0.000 0.978 194 E N 1.155 121.426 120.200 0.118 0.000 2.160 194 E HA -0.193 4.155 4.350 -0.004 0.000 0.195 194 E C 1.168 177.847 176.600 0.132 0.000 0.991 194 E CA 1.311 57.777 56.400 0.110 0.000 0.810 194 E CB -0.466 29.280 29.700 0.078 0.000 0.742 194 E HN 0.429 nan 8.360 nan 0.000 0.466 195 N N -0.020 118.776 118.700 0.160 0.000 2.370 195 N HA -0.091 4.647 4.740 -0.004 0.000 0.198 195 N C -0.134 175.438 175.510 0.104 0.000 1.156 195 N CA -0.255 52.865 53.050 0.117 0.000 0.839 195 N CB -0.729 37.833 38.487 0.126 0.000 0.989 195 N HN 0.060 nan 8.380 nan 0.000 0.468 196 F N 2.465 122.447 119.950 0.053 0.000 2.602 196 F HA 0.145 4.670 4.527 -0.004 0.000 0.385 196 F C 0.012 175.704 175.800 -0.181 0.000 1.063 196 F CA 0.259 58.251 58.000 -0.014 0.000 1.233 196 F CB 0.360 39.396 39.000 0.060 0.000 1.067 196 F HN -0.037 nan 8.300 nan 0.000 0.564 197 K N 5.226 124.855 120.400 -1.286 0.000 2.542 197 K HA 0.180 4.498 4.320 -0.004 0.000 0.259 197 K C -1.473 174.353 176.600 -1.290 0.000 0.932 197 K CA -1.056 54.449 56.287 -1.302 0.000 0.820 197 K CB 1.897 33.535 32.500 -1.436 0.000 1.345 197 K HN 0.643 nan 8.250 nan 0.000 0.432 198 N N 2.578 120.735 118.700 -0.905 0.000 2.446 198 N HA 0.242 4.980 4.740 -0.004 0.000 0.265 198 N C -1.387 173.830 175.510 -0.489 0.000 0.975 198 N CA -0.354 52.322 53.050 -0.624 0.000 0.928 198 N CB 0.702 39.002 38.487 -0.311 0.000 1.160 198 N HN 0.416 nan 8.380 nan 0.000 0.495 199 Y N 3.864 123.921 120.300 -0.405 0.000 2.326 199 Y HA 0.337 4.885 4.550 -0.004 0.000 0.337 199 Y C 0.047 175.844 175.900 -0.171 0.000 1.023 199 Y CA -0.742 57.075 58.100 -0.472 0.000 1.143 199 Y CB 0.522 38.456 38.460 -0.877 0.000 1.183 199 Y HN 0.322 nan 8.280 nan 0.000 0.485 200 F N 1.368 121.349 119.950 0.052 0.000 2.577 200 F HA 0.913 5.438 4.527 -0.003 0.000 0.318 200 F C -1.369 174.528 175.800 0.162 0.000 1.065 200 F CA -1.976 56.026 58.000 0.003 0.000 0.929 200 F CB 1.237 39.930 39.000 -0.511 0.000 1.237 200 F HN 0.212 nan 8.300 nan 0.000 0.468 201 I N 3.230 124.031 120.570 0.385 0.000 2.582 201 I HA 0.480 4.647 4.170 -0.004 0.000 0.292 201 I C -1.113 175.176 176.117 0.287 0.000 1.066 201 I CA -0.732 60.737 61.300 0.283 0.000 1.053 201 I CB 2.398 40.525 38.000 0.212 0.000 1.241 201 I HN 0.580 nan 8.210 nan 0.000 0.421 202 I N 5.242 125.959 120.570 0.246 0.000 2.478 202 I HA 0.359 4.527 4.170 -0.004 0.000 0.287 202 I C -0.744 175.425 176.117 0.087 0.000 1.042 202 I CA -0.464 60.924 61.300 0.146 0.000 1.067 202 I CB 1.901 40.007 38.000 0.177 0.000 1.233 202 I HN 0.520 nan 8.210 nan 0.000 0.431 203 E N 5.742 125.928 120.200 -0.023 0.000 2.165 203 E HA 0.515 4.863 4.350 -0.004 0.000 0.266 203 E C -1.371 175.200 176.600 -0.049 0.000 0.889 203 E CA -0.583 55.850 56.400 0.055 0.000 0.756 203 E CB 2.071 31.811 29.700 0.067 0.000 1.131 203 E HN 0.277 nan 8.360 nan 0.000 0.411 204 F N 1.620 121.705 119.950 0.224 0.000 2.432 204 F HA 0.153 4.677 4.527 -0.005 0.000 0.329 204 F C 1.265 177.134 175.800 0.114 0.000 1.076 204 F CA -0.772 57.369 58.000 0.235 0.000 1.018 204 F CB 1.001 40.246 39.000 0.408 0.000 1.201 204 F HN 0.435 nan 8.300 nan 0.000 0.489 205 D N 0.346 120.912 120.400 0.276 0.000 2.395 205 D HA 0.061 4.699 4.640 -0.004 0.000 0.226 205 D C -0.197 176.146 176.300 0.072 0.000 1.146 205 D CA 0.002 54.080 54.000 0.129 0.000 0.830 205 D CB 0.029 40.879 40.800 0.084 0.000 0.958 205 D HN 0.398 nan 8.370 nan 0.000 0.501 206 K N 0.592 121.048 120.400 0.094 0.000 2.501 206 K HA 0.425 4.742 4.320 -0.004 0.000 0.252 206 K C -3.056 173.521 176.600 -0.038 0.000 0.934 206 K CA -2.064 54.182 56.287 -0.067 0.000 0.797 206 K CB 2.232 34.527 32.500 -0.343 0.000 1.270 206 K HN -0.244 nan 8.250 nan 0.000 0.431 207 P HA 0.051 nan 4.420 nan 0.000 0.268 207 P C -0.946 176.428 177.300 0.124 0.000 1.205 207 P CA -0.080 62.947 63.100 -0.123 0.000 0.771 207 P CB 0.199 31.859 31.700 -0.067 0.000 0.858 208 F N 0.792 120.802 119.950 0.100 0.000 2.444 208 F HA 0.173 4.698 4.527 -0.004 0.000 0.360 208 F C 1.829 177.672 175.800 0.072 0.000 1.106 208 F CA -0.067 57.988 58.000 0.091 0.000 1.170 208 F CB -0.460 38.542 39.000 0.003 0.000 1.113 208 F HN 0.211 nan 8.300 nan 0.000 0.521 209 T N 2.334 117.060 114.554 0.287 0.000 3.057 209 T HA 0.001 4.348 4.350 -0.004 0.000 0.254 209 T C -0.671 174.147 174.700 0.195 0.000 1.094 209 T CA 0.654 62.864 62.100 0.183 0.000 1.088 209 T CB -0.284 68.671 68.868 0.145 0.000 0.934 209 T HN 0.456 nan 8.240 nan 0.000 0.497 210 Y N 2.254 122.578 120.300 0.039 0.000 2.477 210 Y HA 0.558 5.106 4.550 -0.003 0.000 0.347 210 Y C -1.370 174.503 175.900 -0.045 0.000 0.981 210 Y CA -1.470 56.640 58.100 0.017 0.000 1.033 210 Y CB 1.157 39.656 38.460 0.064 0.000 1.245 210 Y HN -0.036 nan 8.280 nan 0.000 0.455 211 K N 4.140 124.127 120.400 -0.688 0.000 2.543 211 K HA 0.950 5.268 4.320 -0.004 0.000 0.255 211 K C -2.199 174.019 176.600 -0.636 0.000 0.934 211 K CA -1.018 54.959 56.287 -0.516 0.000 0.810 211 K CB 2.035 34.397 32.500 -0.231 0.000 1.315 211 K HN 0.884 nan 8.250 nan 0.000 0.433 212 A N 1.173 123.746 122.820 -0.413 0.000 2.566 212 A HA 0.656 4.974 4.320 -0.004 0.000 0.297 212 A C -0.822 176.637 177.584 -0.208 0.000 1.059 212 A CA -0.671 51.184 52.037 -0.304 0.000 0.691 212 A CB 1.582 20.422 19.000 -0.267 0.000 1.282 212 A HN 0.839 nan 8.150 nan 0.000 0.401 213 T N -1.020 113.415 114.554 -0.197 0.000 2.944 213 T HA 0.777 5.125 4.350 -0.004 0.000 0.284 213 T C -0.245 174.307 174.700 -0.247 0.000 1.010 213 T CA -0.689 61.288 62.100 -0.206 0.000 1.025 213 T CB 1.407 70.161 68.868 -0.190 0.000 1.079 213 T HN 1.052 nan 8.240 nan 0.000 0.516 214 V N 1.330 121.040 119.914 -0.339 0.000 2.680 214 V HA 0.723 4.841 4.120 -0.004 0.000 0.309 214 V C -0.429 175.439 176.094 -0.377 0.000 1.052 214 V CA -0.774 61.252 62.300 -0.456 0.000 0.908 214 V CB 1.612 32.885 31.823 -0.918 0.000 1.001 214 V HN 1.062 nan 8.190 nan 0.000 0.431 215 E N 3.584 123.612 120.200 -0.288 0.000 2.281 215 E HA 0.329 4.677 4.350 -0.004 0.000 0.266 215 E C 0.074 176.591 176.600 -0.139 0.000 0.893 215 E CA 0.362 56.655 56.400 -0.178 0.000 0.798 215 E CB 1.339 30.967 29.700 -0.119 0.000 1.245 215 E HN 1.168 nan 8.360 nan 0.000 0.410 216 N N 2.584 121.226 118.700 -0.096 0.000 2.699 216 N HA -0.246 4.492 4.740 -0.004 0.000 0.256 216 N C 1.156 176.628 175.510 -0.063 0.000 0.993 216 N CA 1.807 54.834 53.050 -0.039 0.000 0.759 216 N CB -2.233 36.251 38.487 -0.005 0.000 0.906 216 N HN 1.516 nan 8.380 nan 0.000 0.541 217 G N -1.853 106.869 108.800 -0.130 0.000 2.253 217 G HA2 -0.247 3.711 3.960 -0.004 0.000 0.251 217 G HA3 -0.247 3.711 3.960 -0.004 0.000 0.251 217 G C -0.006 174.831 174.900 -0.104 0.000 0.998 217 G CA 0.421 45.472 45.100 -0.081 0.000 0.621 217 G HN 1.251 nan 8.290 nan 0.000 0.524 218 N N 0.704 119.329 118.700 -0.126 0.000 2.444 218 N HA 0.463 5.201 4.740 -0.004 0.000 0.271 218 N C -0.343 175.076 175.510 -0.152 0.000 1.069 218 N CA -0.350 52.633 53.050 -0.112 0.000 0.965 218 N CB 1.701 40.137 38.487 -0.084 0.000 1.092 218 N HN 0.197 nan 8.380 nan 0.000 0.476 219 L N 2.694 123.845 121.223 -0.121 0.000 2.313 219 L HA 0.140 4.477 4.340 -0.004 0.000 0.282 219 L C 0.071 176.877 176.870 -0.107 0.000 1.092 219 L CA 0.249 55.016 54.840 -0.122 0.000 0.831 219 L CB 0.145 42.157 42.059 -0.078 0.000 1.159 219 L HN 0.379 nan 8.230 nan 0.000 0.442 220 Q N 4.776 124.498 119.800 -0.130 0.000 2.523 220 Q HA 0.230 4.567 4.340 -0.004 0.000 0.251 220 Q C -0.560 175.353 176.000 -0.146 0.000 1.033 220 Q CA -0.376 55.355 55.803 -0.119 0.000 0.746 220 Q CB 1.324 29.993 28.738 -0.115 0.000 1.189 220 Q HN 0.563 nan 8.270 nan 0.000 0.508 221 E N 2.585 122.695 120.200 -0.149 0.000 2.415 221 E HA -0.090 4.257 4.350 -0.004 0.000 0.263 221 E C -0.017 176.468 176.600 -0.191 0.000 0.995 221 E CA 0.261 56.523 56.400 -0.229 0.000 0.915 221 E CB 0.321 29.899 29.700 -0.203 0.000 0.951 221 E HN 0.465 nan 8.360 nan 0.000 0.449 222 N N 1.371 119.936 118.700 -0.225 0.000 2.828 222 N HA -0.177 4.561 4.740 -0.004 0.000 0.248 222 N C -1.097 174.346 175.510 -0.112 0.000 1.044 222 N CA 0.851 53.811 53.050 -0.151 0.000 0.851 222 N CB -1.223 37.194 38.487 -0.117 0.000 1.136 222 N HN 0.175 nan 8.380 nan 0.000 0.572 223 V N 0.842 120.683 119.914 -0.121 0.000 2.406 223 V HA 0.498 4.616 4.120 -0.004 0.000 0.272 223 V C 1.596 177.627 176.094 -0.106 0.000 1.043 223 V CA 0.295 62.536 62.300 -0.098 0.000 0.915 223 V CB 1.402 33.168 31.823 -0.096 0.000 0.988 223 V HN 0.336 nan 8.190 nan 0.000 0.466 224 A N 4.194 126.964 122.820 -0.083 0.000 2.014 224 A HA 0.062 4.380 4.320 -0.004 0.000 0.218 224 A C 0.888 178.403 177.584 -0.116 0.000 1.163 224 A CA 0.896 52.883 52.037 -0.083 0.000 0.652 224 A CB 0.051 19.021 19.000 -0.051 0.000 0.808 224 A HN 0.788 nan 8.150 nan 0.000 0.449 225 E N -0.517 119.614 120.200 -0.115 0.000 2.343 225 E HA 0.407 4.755 4.350 -0.004 0.000 0.278 225 E C -1.681 174.843 176.600 -0.128 0.000 0.910 225 E CA -0.648 55.664 56.400 -0.147 0.000 0.757 225 E CB 1.022 30.689 29.700 -0.055 0.000 1.218 225 E HN 0.251 nan 8.360 nan 0.000 0.435 226 Q N 1.687 121.376 119.800 -0.184 0.000 2.331 226 Q HA 0.403 4.740 4.340 -0.004 0.000 0.272 226 Q C -1.351 174.628 176.000 -0.035 0.000 1.062 226 Q CA -0.716 55.027 55.803 -0.101 0.000 0.806 226 Q CB 2.468 31.129 28.738 -0.128 0.000 1.312 226 Q HN 0.494 nan 8.270 nan 0.000 0.431 227 T N 1.611 116.204 114.554 0.065 0.000 2.892 227 T HA 0.604 4.952 4.350 -0.004 0.000 0.311 227 T C -0.424 174.324 174.700 0.081 0.000 1.033 227 T CA -0.294 61.885 62.100 0.131 0.000 0.991 227 T CB 1.252 70.229 68.868 0.182 0.000 0.981 227 T HN 0.585 nan 8.240 nan 0.000 0.457 228 T N 1.035 115.635 114.554 0.076 0.000 2.693 228 T HA 0.271 4.619 4.350 -0.004 0.000 0.304 228 T C 0.383 175.146 174.700 0.105 0.000 1.471 228 T CA -0.393 61.749 62.100 0.071 0.000 0.993 228 T CB 1.698 70.586 68.868 0.032 0.000 1.554 228 T HN 0.446 nan 8.240 nan 0.000 0.496 229 D N -0.175 120.289 120.400 0.107 0.000 2.117 229 D HA -0.069 4.568 4.640 -0.004 0.000 0.197 229 D C 0.676 177.092 176.300 0.192 0.000 0.987 229 D CA 1.473 55.552 54.000 0.133 0.000 0.829 229 D CB 0.036 40.903 40.800 0.112 0.000 0.961 229 D HN 0.528 nan 8.370 nan 0.000 0.460 230 H N -0.690 118.421 119.070 0.069 0.000 2.716 230 H HA 0.575 5.128 4.556 -0.004 0.000 0.260 230 H C -1.175 174.173 175.328 0.033 0.000 1.280 230 H CA -0.963 55.141 56.048 0.094 0.000 1.506 230 H CB 0.553 30.376 29.762 0.101 0.000 1.514 230 H HN 0.143 nan 8.280 nan 0.000 0.502 231 A N 3.080 126.039 122.820 0.232 0.000 2.322 231 A HA 0.699 5.017 4.320 -0.004 0.000 0.269 231 A C 0.374 177.969 177.584 0.019 0.000 1.094 231 A CA 0.304 52.358 52.037 0.029 0.000 0.807 231 A CB 0.848 19.847 19.000 -0.002 0.000 1.047 231 A HN 0.766 nan 8.150 nan 0.000 0.487 232 G N -1.436 107.238 108.800 -0.211 0.000 2.649 232 G HA2 0.786 4.744 3.960 -0.004 0.000 0.290 232 G HA3 0.786 4.744 3.960 -0.004 0.000 0.290 232 G C -1.073 173.721 174.900 -0.177 0.000 1.426 232 G CA 0.121 45.107 45.100 -0.191 0.000 0.794 232 G HN 1.867 nan 8.290 nan 0.000 0.483 233 A N -0.474 122.341 122.820 -0.009 0.000 2.549 233 A HA 0.824 5.142 4.320 -0.004 0.000 0.297 233 A C -1.354 176.245 177.584 0.025 0.000 1.061 233 A CA -0.545 51.465 52.037 -0.044 0.000 0.690 233 A CB 1.304 20.280 19.000 -0.039 0.000 1.287 233 A HN 0.839 nan 8.150 nan 0.000 0.402 234 I N 2.329 122.879 120.570 -0.033 0.000 2.478 234 I HA 0.457 4.625 4.170 -0.004 0.000 0.287 234 I C -0.920 175.166 176.117 -0.051 0.000 1.042 234 I CA -0.656 60.643 61.300 -0.002 0.000 1.067 234 I CB 1.780 39.798 38.000 0.031 0.000 1.233 234 I HN 0.687 nan 8.210 nan 0.000 0.431 235 I N 2.930 123.373 120.570 -0.211 0.000 2.797 235 I HA 1.062 5.230 4.170 -0.004 0.000 0.307 235 I C 0.085 175.988 176.117 -0.356 0.000 1.033 235 I CA -0.310 60.748 61.300 -0.403 0.000 1.071 235 I CB 1.968 39.249 38.000 -1.198 0.000 1.255 235 I HN 0.552 nan 8.210 nan 0.000 0.445 236 G N 2.313 110.899 108.800 -0.355 0.000 2.645 236 G HA2 0.854 4.811 3.960 -0.004 0.000 0.292 236 G HA3 0.854 4.811 3.960 -0.004 0.000 0.292 236 G C -1.494 172.972 174.900 -0.723 0.000 1.415 236 G CA -0.788 43.795 45.100 -0.862 0.000 0.785 236 G HN 0.997 nan 8.290 nan 0.000 0.483 237 F N -2.276 117.484 119.950 -0.317 0.000 2.900 237 F HA 0.629 5.153 4.527 -0.005 0.000 0.321 237 F C -0.655 174.942 175.800 -0.339 0.000 1.160 237 F CA -1.499 56.361 58.000 -0.232 0.000 0.890 237 F CB 1.716 40.614 39.000 -0.169 0.000 1.334 237 F HN 0.582 nan 8.300 nan 0.000 0.459 238 K N 1.361 121.784 120.400 0.039 0.000 2.174 238 K HA 0.647 4.964 4.320 -0.004 0.000 0.275 238 K C -0.989 175.571 176.600 -0.065 0.000 1.015 238 K CA 0.070 56.310 56.287 -0.079 0.000 0.933 238 K CB 1.479 33.923 32.500 -0.093 0.000 1.025 238 K HN 0.884 nan 8.250 nan 0.000 0.463 239 T N 1.141 115.640 114.554 -0.091 0.000 2.900 239 T HA 0.468 4.816 4.350 -0.004 0.000 0.295 239 T C -0.249 174.440 174.700 -0.019 0.000 1.044 239 T CA -1.149 60.908 62.100 -0.071 0.000 0.995 239 T CB 1.399 70.225 68.868 -0.071 0.000 1.072 239 T HN 0.764 nan 8.240 nan 0.000 0.473 240 R N 1.226 121.727 120.500 0.002 0.000 2.549 240 R HA 0.501 4.839 4.340 -0.004 0.000 0.259 240 R C -0.136 176.202 176.300 0.064 0.000 1.095 240 R CA -1.124 54.990 56.100 0.023 0.000 1.148 240 R CB 0.850 31.156 30.300 0.011 0.000 1.181 240 R HN 0.735 nan 8.270 nan 0.000 0.571 241 K N 0.115 120.552 120.400 0.061 0.000 2.447 241 K HA 0.029 4.346 4.320 -0.004 0.000 0.281 241 K C 0.444 177.097 176.600 0.088 0.000 1.031 241 K CA 1.312 57.648 56.287 0.082 0.000 1.019 241 K CB -0.076 32.461 32.500 0.062 0.000 0.918 241 K HN 0.876 nan 8.250 nan 0.000 0.476 242 G N 2.829 111.701 108.800 0.119 0.000 2.162 242 G HA2 -0.326 3.632 3.960 -0.004 0.000 0.260 242 G HA3 -0.326 3.632 3.960 -0.004 0.000 0.260 242 G C -0.061 174.912 174.900 0.122 0.000 0.976 242 G CA 0.526 45.694 45.100 0.112 0.000 0.655 242 G HN 0.755 nan 8.290 nan 0.000 0.533 243 E N 0.581 120.869 120.200 0.147 0.000 2.360 243 E HA 0.393 4.740 4.350 -0.004 0.000 0.269 243 E C 0.379 177.104 176.600 0.208 0.000 1.022 243 E CA -0.154 56.326 56.400 0.133 0.000 0.887 243 E CB 0.251 30.000 29.700 0.083 0.000 0.990 243 E HN 0.520 nan 8.360 nan 0.000 0.426 244 Q N 2.383 122.274 119.800 0.151 0.000 2.282 244 Q HA 0.441 4.779 4.340 -0.004 0.000 0.260 244 Q C -1.140 174.971 176.000 0.186 0.000 0.964 244 Q CA -0.900 55.011 55.803 0.180 0.000 0.880 244 Q CB 2.382 31.183 28.738 0.105 0.000 1.286 244 Q HN 0.323 nan 8.270 nan 0.000 0.445 245 V N 2.928 123.030 119.914 0.313 0.000 2.487 245 V HA 0.337 4.455 4.120 -0.004 0.000 0.298 245 V C -0.440 175.851 176.094 0.328 0.000 1.028 245 V CA -0.941 61.555 62.300 0.327 0.000 0.860 245 V CB 1.779 33.902 31.823 0.500 0.000 0.991 245 V HN 0.743 nan 8.190 nan 0.000 0.427 246 N N 2.957 121.788 118.700 0.219 0.000 2.430 246 N HA 0.719 5.457 4.740 -0.004 0.000 0.292 246 N C -0.499 175.080 175.510 0.115 0.000 1.051 246 N CA -0.249 52.863 53.050 0.102 0.000 0.917 246 N CB 2.433 40.946 38.487 0.043 0.000 1.164 246 N HN 0.810 nan 8.380 nan 0.000 0.484 247 A N 2.666 125.480 122.820 -0.011 0.000 2.311 247 A HA 0.468 4.786 4.320 -0.004 0.000 0.306 247 A C -0.213 177.312 177.584 -0.098 0.000 1.189 247 A CA -0.723 51.207 52.037 -0.178 0.000 0.791 247 A CB 0.763 19.587 19.000 -0.292 0.000 1.172 247 A HN 0.583 nan 8.150 nan 0.000 0.481 248 R N 1.920 122.367 120.500 -0.088 0.000 2.221 248 R HA 0.622 4.960 4.340 -0.004 0.000 0.327 248 R C -0.842 175.467 176.300 0.016 0.000 1.033 248 R CA 0.117 56.202 56.100 -0.025 0.000 0.887 248 R CB 0.946 31.246 30.300 0.001 0.000 1.057 248 R HN 0.675 nan 8.270 nan 0.000 0.455 249 I N 1.593 122.198 120.570 0.060 0.000 2.608 249 I HA 0.685 4.852 4.170 -0.004 0.000 0.295 249 I C -0.444 175.811 176.117 0.230 0.000 1.049 249 I CA -0.952 60.455 61.300 0.179 0.000 1.063 249 I CB 2.235 40.382 38.000 0.244 0.000 1.248 249 I HN 0.645 nan 8.210 nan 0.000 0.424 250 A N 3.486 126.491 122.820 0.309 0.000 2.587 250 A HA 0.888 5.206 4.320 -0.004 0.000 0.293 250 A C -0.798 176.997 177.584 0.351 0.000 1.087 250 A CA -0.437 51.782 52.037 0.304 0.000 0.692 250 A CB 2.114 21.229 19.000 0.193 0.000 1.291 250 A HN 0.765 nan 8.150 nan 0.000 0.407 251 S N -0.195 115.678 115.700 0.290 0.000 2.697 251 S HA 0.929 5.397 4.470 -0.004 0.000 0.289 251 S C -0.483 174.115 174.600 -0.003 0.000 1.149 251 S CA 0.062 58.377 58.200 0.191 0.000 0.850 251 S CB 1.541 64.900 63.200 0.266 0.000 1.151 251 S HN 2.311 nan 8.310 nan 0.000 0.491 252 S N -0.765 114.842 115.700 -0.154 0.000 2.547 252 S HA 0.631 5.098 4.470 -0.004 0.000 0.270 252 S C -1.357 173.012 174.600 -0.386 0.000 1.150 252 S CA -0.744 57.327 58.200 -0.216 0.000 0.850 252 S CB 0.676 63.829 63.200 -0.078 0.000 1.118 252 S HN 0.638 nan 8.310 nan 0.000 0.461 253 F N 2.166 122.042 119.950 -0.123 0.000 2.693 253 F HA 0.476 5.001 4.527 -0.004 0.000 0.303 253 F C 1.230 176.913 175.800 -0.195 0.000 1.097 253 F CA -0.034 57.813 58.000 -0.256 0.000 1.330 253 F CB 0.147 38.933 39.000 -0.357 0.000 1.067 253 F HN 0.427 nan 8.300 nan 0.000 0.565 254 I N -1.579 118.998 120.570 0.013 0.000 3.194 254 I HA 0.099 4.267 4.170 -0.004 0.000 0.271 254 I C 0.563 176.440 176.117 -0.399 0.000 1.150 254 I CA 0.369 61.634 61.300 -0.057 0.000 1.440 254 I CB 0.387 38.381 38.000 -0.011 0.000 1.276 254 I HN 0.074 nan 8.210 nan 0.000 0.457 255 S N -1.697 113.583 115.700 -0.699 0.000 2.688 255 S HA 0.226 4.693 4.470 -0.004 0.000 0.269 255 S C -0.035 174.093 174.600 -0.788 0.000 1.060 255 S CA -0.733 56.734 58.200 -1.222 0.000 0.844 255 S CB 0.211 63.067 63.200 -0.573 0.000 1.095 255 S HN -0.003 nan 8.310 nan 0.000 0.466 256 F N 1.540 121.164 119.950 -0.543 0.000 2.134 256 F HA 0.087 4.612 4.527 -0.004 0.000 0.299 256 F C 3.175 178.904 175.800 -0.119 0.000 1.097 256 F CA 2.293 60.180 58.000 -0.188 0.000 1.264 256 F CB -1.108 37.835 39.000 -0.095 0.000 1.001 256 F HN 0.944 nan 8.300 nan 0.000 0.479 257 E N -0.089 120.137 120.200 0.044 0.000 2.085 257 E HA -0.276 4.071 4.350 -0.004 0.000 0.194 257 E C 1.952 178.554 176.600 0.003 0.000 0.994 257 E CA 1.565 57.978 56.400 0.021 0.000 0.801 257 E CB -1.031 28.666 29.700 -0.006 0.000 0.743 257 E HN 0.434 nan 8.360 nan 0.000 0.453 258 Q N -0.424 119.349 119.800 -0.046 0.000 2.172 258 Q HA 0.208 4.546 4.340 -0.004 0.000 0.200 258 Q C 2.203 178.206 176.000 0.005 0.000 0.964 258 Q CA 1.669 57.457 55.803 -0.026 0.000 0.855 258 Q CB -0.355 28.352 28.738 -0.052 0.000 0.918 258 Q HN 0.532 nan 8.270 nan 0.000 0.444 259 A N 0.140 122.967 122.820 0.011 0.000 1.930 259 A HA 0.002 4.319 4.320 -0.004 0.000 0.217 259 A C 2.246 179.890 177.584 0.101 0.000 1.175 259 A CA 1.607 53.689 52.037 0.075 0.000 0.627 259 A CB -0.995 18.085 19.000 0.134 0.000 0.815 259 A HN 0.488 nan 8.150 nan 0.000 0.443 260 A N -0.142 122.735 122.820 0.095 0.000 1.898 260 A HA 0.211 4.529 4.320 -0.004 0.000 0.216 260 A C 2.470 180.094 177.584 0.066 0.000 1.181 260 A CA 1.875 53.962 52.037 0.084 0.000 0.620 260 A CB -0.910 18.133 19.000 0.072 0.000 0.819 260 A HN 0.999 nan 8.150 nan 0.000 0.442 261 A N 0.378 123.229 122.820 0.053 0.000 1.930 261 A HA -0.168 4.149 4.320 -0.004 0.000 0.217 261 A C 1.831 179.448 177.584 0.056 0.000 1.175 261 A CA 1.688 53.754 52.037 0.048 0.000 0.627 261 A CB -0.589 18.434 19.000 0.038 0.000 0.815 261 A HN 0.532 nan 8.150 nan 0.000 0.443 262 N N -0.739 117.998 118.700 0.062 0.000 2.223 262 N HA -0.151 4.586 4.740 -0.004 0.000 0.185 262 N C 1.478 177.036 175.510 0.081 0.000 1.016 262 N CA 1.600 54.692 53.050 0.071 0.000 0.863 262 N CB -0.482 38.051 38.487 0.076 0.000 0.983 262 N HN 0.504 nan 8.380 nan 0.000 0.429 263 M N 1.349 121.000 119.600 0.085 0.000 2.195 263 M HA -0.125 4.353 4.480 -0.004 0.000 0.260 263 M C 0.997 177.334 176.300 0.063 0.000 1.066 263 M CA 1.531 56.881 55.300 0.083 0.000 1.089 263 M CB -0.544 32.106 32.600 0.083 0.000 1.377 263 M HN 0.140 nan 8.290 nan 0.000 0.411 264 N N -0.381 118.352 118.700 0.056 0.000 2.443 264 N HA -0.148 4.590 4.740 -0.004 0.000 0.184 264 N C 1.181 176.718 175.510 0.046 0.000 1.037 264 N CA 1.027 54.105 53.050 0.047 0.000 0.896 264 N CB -0.146 38.367 38.487 0.043 0.000 0.959 264 N HN 0.557 nan 8.380 nan 0.000 0.442 265 E N 0.746 120.978 120.200 0.053 0.000 2.219 265 E HA -0.176 4.171 4.350 -0.004 0.000 0.198 265 E C 1.443 178.069 176.600 0.042 0.000 0.998 265 E CA 0.748 57.180 56.400 0.052 0.000 0.818 265 E CB -0.095 29.643 29.700 0.063 0.000 0.741 265 E HN 0.481 nan 8.360 nan 0.000 0.477 266 L N 0.002 121.248 121.223 0.038 0.000 2.376 266 L HA 0.005 4.342 4.340 -0.004 0.000 0.219 266 L C 1.650 178.532 176.870 0.020 0.000 1.133 266 L CA 0.292 55.146 54.840 0.024 0.000 0.816 266 L CB -1.062 41.007 42.059 0.017 0.000 0.933 266 L HN 0.231 nan 8.230 nan 0.000 0.449 267 G N 0.934 109.749 108.800 0.025 0.000 2.627 267 G HA2 -0.366 3.592 3.960 -0.004 0.000 0.312 267 G HA3 -0.366 3.592 3.960 -0.004 0.000 0.312 267 G C 0.684 175.594 174.900 0.017 0.000 1.299 267 G CA 0.403 45.516 45.100 0.021 0.000 0.989 267 G HN 0.244 nan 8.290 nan 0.000 0.547 268 K N 1.644 122.051 120.400 0.012 0.000 2.440 268 K HA 0.211 4.529 4.320 -0.004 0.000 0.206 268 K C -0.006 176.597 176.600 0.004 0.000 1.025 268 K CA -0.116 56.177 56.287 0.009 0.000 1.135 268 K CB 0.210 32.715 32.500 0.009 0.000 0.856 268 K HN 0.472 nan 8.250 nan 0.000 0.502 269 D N 2.252 122.653 120.400 0.002 0.000 2.382 269 D HA -0.018 4.620 4.640 -0.004 0.000 0.240 269 D C 0.594 176.889 176.300 -0.008 0.000 1.146 269 D CA 0.188 54.187 54.000 -0.003 0.000 0.897 269 D CB 0.629 41.427 40.800 -0.002 0.000 1.197 269 D HN 0.202 nan 8.370 nan 0.000 0.432 270 N N 0.500 119.194 118.700 -0.010 0.000 2.476 270 N HA 0.125 4.863 4.740 -0.004 0.000 0.287 270 N C 1.076 176.576 175.510 -0.016 0.000 1.262 270 N CA -0.578 52.464 53.050 -0.014 0.000 0.980 270 N CB 0.661 39.142 38.487 -0.011 0.000 1.163 270 N HN 0.142 nan 8.380 nan 0.000 0.592 271 I N -0.323 120.238 120.570 -0.015 0.000 2.208 271 I HA -0.218 3.950 4.170 -0.004 0.000 0.245 271 I C 1.636 177.755 176.117 0.003 0.000 1.097 271 I CA 1.662 62.964 61.300 0.004 0.000 1.363 271 I CB -1.078 36.941 38.000 0.031 0.000 1.051 271 I HN 0.587 nan 8.210 nan 0.000 0.413 272 E N 0.544 120.729 120.200 -0.024 0.000 2.110 272 E HA -0.204 4.143 4.350 -0.004 0.000 0.193 272 E C 2.247 178.818 176.600 -0.048 0.000 0.988 272 E CA 1.032 57.398 56.400 -0.057 0.000 0.804 272 E CB -0.197 29.468 29.700 -0.059 0.000 0.745 272 E HN 0.525 nan 8.360 nan 0.000 0.458 273 Q N -0.298 119.484 119.800 -0.030 0.000 2.123 273 Q HA -0.003 4.334 4.340 -0.004 0.000 0.199 273 Q C 2.178 178.168 176.000 -0.016 0.000 0.966 273 Q CA 0.789 56.576 55.803 -0.027 0.000 0.845 273 Q CB 0.006 28.733 28.738 -0.019 0.000 0.907 273 Q HN 0.271 nan 8.270 nan 0.000 0.439 274 L N 0.046 121.269 121.223 -0.001 0.000 2.109 274 L HA -0.109 4.228 4.340 -0.004 0.000 0.207 274 L C 2.462 179.363 176.870 0.053 0.000 1.086 274 L CA 0.757 55.609 54.840 0.020 0.000 0.760 274 L CB -0.491 41.576 42.059 0.014 0.000 0.910 274 L HN 0.209 nan 8.230 nan 0.000 0.437 275 A N -0.329 122.532 122.820 0.069 0.000 1.902 275 A HA -0.291 4.027 4.320 -0.004 0.000 0.217 275 A C 2.203 179.765 177.584 -0.036 0.000 1.181 275 A CA 1.922 54.051 52.037 0.153 0.000 0.623 275 A CB -0.498 18.563 19.000 0.102 0.000 0.818 275 A HN 0.387 nan 8.150 nan 0.000 0.443 276 Q N 0.095 119.840 119.800 -0.091 0.000 2.079 276 Q HA -0.120 4.218 4.340 -0.004 0.000 0.200 276 Q C 1.925 177.847 176.000 -0.130 0.000 0.974 276 Q CA 2.134 57.843 55.803 -0.158 0.000 0.840 276 Q CB -0.275 28.396 28.738 -0.111 0.000 0.898 276 Q HN 0.678 nan 8.270 nan 0.000 0.430 277 K N -1.043 119.322 120.400 -0.058 0.000 2.057 277 K HA -0.076 4.242 4.320 -0.004 0.000 0.207 277 K C 2.007 178.601 176.600 -0.010 0.000 1.049 277 K CA 1.155 57.426 56.287 -0.027 0.000 0.931 277 K CB -0.487 32.013 32.500 0.001 0.000 0.714 277 K HN 0.397 nan 8.250 nan 0.000 0.440 278 G N 1.790 110.613 108.800 0.037 0.000 2.422 278 G HA2 -0.291 3.666 3.960 -0.004 0.000 0.218 278 G HA3 -0.291 3.666 3.960 -0.004 0.000 0.218 278 G C 1.435 176.409 174.900 0.123 0.000 1.146 278 G CA 0.819 46.012 45.100 0.154 0.000 0.769 278 G HN 0.246 nan 8.290 nan 0.000 0.547 279 K N 0.320 120.555 120.400 -0.274 0.000 2.026 279 K HA -0.120 4.198 4.320 -0.004 0.000 0.208 279 K C 2.007 178.536 176.600 -0.118 0.000 1.048 279 K CA 1.585 57.564 56.287 -0.512 0.000 0.929 279 K CB -0.158 31.723 32.500 -1.032 0.000 0.713 279 K HN 0.100 nan 8.250 nan 0.000 0.439 280 D N 0.621 120.959 120.400 -0.105 0.000 2.104 280 D HA -0.167 4.470 4.640 -0.004 0.000 0.194 280 D C 1.823 178.135 176.300 0.021 0.000 0.994 280 D CA 1.506 55.489 54.000 -0.027 0.000 0.830 280 D CB -0.343 40.436 40.800 -0.034 0.000 0.959 280 D HN 0.388 nan 8.370 nan 0.000 0.452 281 A N 0.017 122.836 122.820 -0.003 0.000 1.902 281 A HA -0.167 4.150 4.320 -0.004 0.000 0.217 281 A C 2.192 179.717 177.584 -0.098 0.000 1.181 281 A CA 1.264 53.263 52.037 -0.063 0.000 0.623 281 A CB -1.157 17.769 19.000 -0.124 0.000 0.818 281 A HN 0.306 nan 8.150 nan 0.000 0.443 282 W N -0.062 121.266 121.300 0.045 0.000 2.409 282 W HA -0.059 4.599 4.660 -0.003 0.000 0.299 282 W C 2.223 178.809 176.519 0.112 0.000 1.203 282 W CA 1.294 58.682 57.345 0.073 0.000 1.298 282 W CB -0.373 29.152 29.460 0.108 0.000 1.127 282 W HN 0.420 nan 8.180 nan 0.000 0.528 283 N N -0.070 118.830 118.700 0.333 0.000 2.223 283 N HA -0.264 4.473 4.740 -0.004 0.000 0.185 283 N C 1.647 177.335 175.510 0.296 0.000 1.016 283 N CA 1.310 54.579 53.050 0.365 0.000 0.863 283 N CB -0.244 38.410 38.487 0.279 0.000 0.983 283 N HN 0.111 nan 8.380 nan 0.000 0.429 284 Q N 1.140 121.050 119.800 0.183 0.000 2.124 284 Q HA -0.117 4.220 4.340 -0.004 0.000 0.202 284 Q C 1.834 177.928 176.000 0.157 0.000 0.977 284 Q CA 1.644 57.531 55.803 0.139 0.000 0.850 284 Q CB -0.041 28.750 28.738 0.088 0.000 0.901 284 Q HN 0.371 nan 8.270 nan 0.000 0.429 285 V N -2.266 117.745 119.914 0.162 0.000 2.599 285 V HA 0.016 4.134 4.120 -0.004 0.000 0.245 285 V C 2.237 178.499 176.094 0.280 0.000 1.046 285 V CA 1.012 63.459 62.300 0.246 0.000 1.065 285 V CB -0.759 31.083 31.823 0.031 0.000 0.703 285 V HN 0.304 nan 8.190 nan 0.000 0.464 286 L N 1.687 123.057 121.223 0.245 0.000 2.056 286 L HA 0.045 4.382 4.340 -0.004 0.000 0.207 286 L C 2.720 179.491 176.870 -0.164 0.000 1.078 286 L CA 1.722 56.686 54.840 0.207 0.000 0.749 286 L CB -1.154 41.093 42.059 0.314 0.000 0.901 286 L HN 0.508 nan 8.230 nan 0.000 0.433 287 G N -0.478 108.090 108.800 -0.387 0.000 2.708 287 G HA2 -0.165 3.792 3.960 -0.004 0.000 0.210 287 G HA3 -0.165 3.792 3.960 -0.004 0.000 0.210 287 G C 1.521 176.217 174.900 -0.340 0.000 1.141 287 G CA 0.127 44.644 45.100 -0.972 0.000 0.788 287 G HN 0.133 nan 8.290 nan 0.000 0.531 288 K N -0.007 120.341 120.400 -0.086 0.000 2.362 288 K HA 0.096 4.414 4.320 -0.004 0.000 0.200 288 K C 0.648 177.195 176.600 -0.088 0.000 1.046 288 K CA 0.401 56.681 56.287 -0.012 0.000 0.952 288 K CB 0.137 32.619 32.500 -0.031 0.000 0.753 288 K HN 0.381 nan 8.250 nan 0.000 0.466 289 I N 1.669 122.174 120.570 -0.108 0.000 2.439 289 I HA 0.167 4.334 4.170 -0.004 0.000 0.283 289 I C -0.699 175.331 176.117 -0.145 0.000 1.023 289 I CA -0.465 60.769 61.300 -0.109 0.000 1.100 289 I CB 1.797 39.824 38.000 0.046 0.000 1.238 289 I HN -0.153 nan 8.210 nan 0.000 0.445 290 E N 6.232 126.322 120.200 -0.185 0.000 2.133 290 E HA 0.482 4.829 4.350 -0.004 0.000 0.274 290 E C -0.750 175.732 176.600 -0.196 0.000 0.930 290 E CA -0.731 55.607 56.400 -0.103 0.000 0.770 290 E CB 2.638 32.367 29.700 0.048 0.000 1.104 290 E HN 0.454 nan 8.360 nan 0.000 0.403 291 V N 0.126 119.857 119.914 -0.306 0.000 2.667 291 V HA 0.648 4.765 4.120 -0.004 0.000 0.308 291 V C -0.386 175.472 176.094 -0.393 0.000 1.048 291 V CA -0.629 61.298 62.300 -0.622 0.000 0.928 291 V CB 1.784 32.629 31.823 -1.630 0.000 1.004 291 V HN 0.656 nan 8.190 nan 0.000 0.444 292 E N 1.522 121.603 120.200 -0.198 0.000 2.408 292 E HA 0.675 5.022 4.350 -0.004 0.000 0.275 292 E C 0.213 176.951 176.600 0.230 0.000 0.935 292 E CA -0.638 55.799 56.400 0.062 0.000 0.775 292 E CB 1.950 31.675 29.700 0.042 0.000 1.277 292 E HN 1.599 nan 8.360 nan 0.000 0.455 293 G N 0.424 109.398 108.800 0.289 0.000 2.171 293 G HA2 -0.136 3.822 3.960 -0.004 0.000 0.238 293 G HA3 -0.136 3.822 3.960 -0.004 0.000 0.238 293 G C 0.141 175.171 174.900 0.217 0.000 1.039 293 G CA 0.003 45.230 45.100 0.210 0.000 0.759 293 G HN 0.727 nan 8.290 nan 0.000 0.501 294 G N -0.546 108.383 108.800 0.216 0.000 3.013 294 G HA2 0.766 4.723 3.960 -0.004 0.000 0.278 294 G HA3 0.766 4.723 3.960 -0.004 0.000 0.278 294 G C -0.158 174.494 174.900 -0.414 0.000 1.353 294 G CA -0.033 45.031 45.100 -0.061 0.000 1.043 294 G HN 0.965 nan 8.290 nan 0.000 0.523 295 N N -1.476 116.978 118.700 -0.410 0.000 2.478 295 N HA 0.322 5.060 4.740 -0.004 0.000 0.275 295 N C 1.000 176.232 175.510 -0.462 0.000 1.221 295 N CA -0.861 51.989 53.050 -0.332 0.000 0.979 295 N CB 1.221 39.618 38.487 -0.149 0.000 1.202 295 N HN 0.288 nan 8.380 nan 0.000 0.564 296 L N -0.161 120.963 121.223 -0.163 0.000 2.131 296 L HA -0.091 4.246 4.340 -0.004 0.000 0.210 296 L C 1.001 177.898 176.870 0.045 0.000 1.092 296 L CA 1.836 56.690 54.840 0.024 0.000 0.759 296 L CB -0.952 41.190 42.059 0.138 0.000 0.903 296 L HN 0.585 nan 8.230 nan 0.000 0.435 297 D N -0.783 119.618 120.400 0.002 0.000 2.104 297 D HA -0.222 4.415 4.640 -0.004 0.000 0.194 297 D C 2.163 178.498 176.300 0.057 0.000 0.994 297 D CA 1.432 55.449 54.000 0.029 0.000 0.830 297 D CB -0.070 40.731 40.800 0.002 0.000 0.959 297 D HN 0.518 nan 8.370 nan 0.000 0.452 298 Q N -0.704 119.105 119.800 0.014 0.000 2.046 298 Q HA -0.156 4.182 4.340 -0.004 0.000 0.200 298 Q C 2.202 178.419 176.000 0.362 0.000 0.975 298 Q CA 0.917 56.802 55.803 0.137 0.000 0.836 298 Q CB -0.186 28.540 28.738 -0.020 0.000 0.896 298 Q HN 0.351 nan 8.270 nan 0.000 0.428 299 Y N 0.892 121.317 120.300 0.208 0.000 2.114 299 Y HA -0.221 4.326 4.550 -0.005 0.000 0.282 299 Y C 2.283 178.277 175.900 0.157 0.000 1.165 299 Y CA 1.174 59.287 58.100 0.020 0.000 1.148 299 Y CB -0.507 37.624 38.460 -0.548 0.000 0.972 299 Y HN 0.058 nan 8.280 nan 0.000 0.504 300 R N -0.921 119.776 120.500 0.328 0.000 2.081 300 R HA -0.116 4.222 4.340 -0.004 0.000 0.235 300 R C 2.222 178.656 176.300 0.224 0.000 1.131 300 R CA 1.872 58.162 56.100 0.317 0.000 0.960 300 R CB -0.681 29.758 30.300 0.233 0.000 0.856 300 R HN 0.255 nan 8.270 nan 0.000 0.436 301 T N 0.873 115.514 114.554 0.145 0.000 2.708 301 T HA -0.156 4.192 4.350 -0.004 0.000 0.266 301 T C 1.400 176.097 174.700 -0.005 0.000 1.037 301 T CA 1.303 63.373 62.100 -0.050 0.000 1.146 301 T CB -0.337 68.405 68.868 -0.211 0.000 0.865 301 T HN 0.157 nan 8.240 nan 0.000 0.435 302 F N 0.856 120.887 119.950 0.134 0.000 2.069 302 F HA -0.150 4.374 4.527 -0.005 0.000 0.298 302 F C 1.961 177.729 175.800 -0.053 0.000 1.113 302 F CA 1.324 59.415 58.000 0.151 0.000 1.214 302 F CB -0.376 38.696 39.000 0.120 0.000 0.978 302 F HN 0.148 nan 8.300 nan 0.000 0.474 303 Y N -0.323 120.171 120.300 0.323 0.000 2.395 303 Y HA -0.086 4.462 4.550 -0.004 0.000 0.293 303 Y C 2.660 178.653 175.900 0.154 0.000 1.123 303 Y CA 1.166 59.403 58.100 0.228 0.000 1.227 303 Y CB -0.911 37.778 38.460 0.381 0.000 1.012 303 Y HN -0.000 nan 8.280 nan 0.000 0.552 304 S N -1.147 114.703 115.700 0.250 0.000 2.368 304 S HA -0.188 4.279 4.470 -0.004 0.000 0.224 304 S C 2.205 176.944 174.600 0.232 0.000 1.029 304 S CA 1.306 59.639 58.200 0.221 0.000 0.988 304 S CB -0.774 62.508 63.200 0.137 0.000 0.838 304 S HN 0.524 nan 8.310 nan 0.000 0.462 305 C N 1.077 120.441 119.300 0.106 0.000 2.425 305 C HA 0.028 4.486 4.460 -0.004 0.000 0.277 305 C C 2.523 177.540 174.990 0.045 0.000 1.280 305 C CA 0.468 59.557 59.018 0.119 0.000 1.744 305 C CB -1.263 26.510 27.740 0.056 0.000 1.989 305 C HN 0.520 nan 8.230 nan 0.000 0.491 306 L N 0.398 121.579 121.223 -0.070 0.000 2.027 306 L HA -0.116 4.222 4.340 -0.004 0.000 0.206 306 L C 2.355 179.286 176.870 0.101 0.000 1.074 306 L CA 2.021 56.830 54.840 -0.051 0.000 0.745 306 L CB -1.354 40.631 42.059 -0.122 0.000 0.898 306 L HN 0.545 nan 8.230 nan 0.000 0.433 307 Y N 0.343 120.662 120.300 0.033 0.000 2.114 307 Y HA -0.285 4.263 4.550 -0.003 0.000 0.282 307 Y C 2.425 178.310 175.900 -0.025 0.000 1.165 307 Y CA 1.888 59.959 58.100 -0.048 0.000 1.148 307 Y CB -0.357 37.937 38.460 -0.277 0.000 0.972 307 Y HN 0.105 nan 8.280 nan 0.000 0.504 308 R N 0.183 120.516 120.500 -0.278 0.000 2.189 308 R HA -0.053 4.284 4.340 -0.004 0.000 0.223 308 R C 2.060 178.317 176.300 -0.072 0.000 1.092 308 R CA 1.130 57.063 56.100 -0.278 0.000 0.989 308 R CB -0.732 29.559 30.300 -0.014 0.000 0.876 308 R HN 0.363 nan 8.270 nan 0.000 0.457 309 S N 0.518 116.209 115.700 -0.015 0.000 2.593 309 S HA 0.161 4.629 4.470 -0.004 0.000 0.217 309 S C 1.173 175.779 174.600 0.010 0.000 0.966 309 S CA 0.289 58.518 58.200 0.048 0.000 0.914 309 S CB 0.226 63.465 63.200 0.065 0.000 0.776 309 S HN 0.197 nan 8.310 nan 0.000 0.523 310 L N 0.697 121.828 121.223 -0.154 0.000 3.288 310 L HA 0.418 4.756 4.340 -0.004 0.000 0.293 310 L C 0.563 176.914 176.870 -0.865 0.000 1.294 310 L CA 0.122 54.620 54.840 -0.571 0.000 1.006 310 L CB 0.164 41.782 42.059 -0.734 0.000 1.407 310 L HN 0.200 nan 8.230 nan 0.000 0.592 311 L N -1.182 119.841 121.223 -0.334 0.000 2.547 311 L HA 0.343 4.681 4.340 -0.004 0.000 0.218 311 L C -0.106 176.721 176.870 -0.073 0.000 1.048 311 L CA 0.467 55.147 54.840 -0.267 0.000 0.859 311 L CB 0.528 42.331 42.059 -0.428 0.000 1.128 311 L HN 0.068 nan 8.230 nan 0.000 0.483 312 F N 0.549 120.707 119.950 0.346 0.000 2.532 312 F HA 0.470 4.995 4.527 -0.004 0.000 0.321 312 F C -2.205 173.791 175.800 0.328 0.000 1.089 312 F CA -2.559 55.667 58.000 0.378 0.000 0.926 312 F CB 1.132 40.293 39.000 0.269 0.000 1.168 312 F HN -0.270 nan 8.300 nan 0.000 0.459 313 P HA 0.157 nan 4.420 nan 0.000 0.271 313 P C -0.919 176.792 177.300 0.686 0.000 1.218 313 P CA -0.511 62.957 63.100 0.613 0.000 0.780 313 P CB 0.918 32.953 31.700 0.559 0.000 0.901 314 R N 1.684 122.508 120.500 0.539 0.000 2.615 314 R HA 0.309 4.646 4.340 -0.004 0.000 0.270 314 R C -0.061 176.465 176.300 0.377 0.000 1.081 314 R CA -0.686 55.658 56.100 0.407 0.000 1.154 314 R CB 0.413 30.779 30.300 0.110 0.000 1.063 314 R HN 0.300 nan 8.270 nan 0.000 0.519 315 K N 1.150 121.621 120.400 0.119 0.000 2.485 315 K HA -0.049 4.269 4.320 -0.004 0.000 0.277 315 K C -0.477 176.098 176.600 -0.041 0.000 0.990 315 K CA 0.438 56.480 56.287 -0.408 0.000 0.994 315 K CB 0.294 32.559 32.500 -0.393 0.000 0.906 315 K HN 0.543 nan 8.250 nan 0.000 0.488 316 F N 3.308 123.143 119.950 -0.191 0.000 2.815 316 F HA 0.165 4.689 4.527 -0.004 0.000 0.323 316 F C -0.910 174.986 175.800 0.160 0.000 1.151 316 F CA -0.670 57.343 58.000 0.021 0.000 1.191 316 F CB 0.484 39.497 39.000 0.022 0.000 1.069 316 F HN 0.515 nan 8.300 nan 0.000 0.514 317 Y N -0.976 119.356 120.300 0.053 0.000 2.621 317 Y HA 0.857 5.405 4.550 -0.004 0.000 0.334 317 Y C -0.709 175.242 175.900 0.086 0.000 1.074 317 Y CA -1.203 56.967 58.100 0.116 0.000 1.149 317 Y CB 0.929 39.472 38.460 0.139 0.000 1.302 317 Y HN 0.024 nan 8.280 nan 0.000 0.501 318 E N 1.056 121.383 120.200 0.212 0.000 2.429 318 E HA 0.418 4.765 4.350 -0.004 0.000 0.276 318 E C -1.810 174.900 176.600 0.184 0.000 0.953 318 E CA -1.187 55.271 56.400 0.097 0.000 0.787 318 E CB 2.422 32.165 29.700 0.072 0.000 1.307 318 E HN 0.353 nan 8.360 nan 0.000 0.458 319 L N 2.829 124.129 121.223 0.128 0.000 2.282 319 L HA 0.259 4.596 4.340 -0.004 0.000 0.288 319 L C 0.108 177.029 176.870 0.083 0.000 1.033 319 L CA -0.361 54.557 54.840 0.130 0.000 0.807 319 L CB 0.403 42.538 42.059 0.126 0.000 1.209 319 L HN 0.674 nan 8.230 nan 0.000 0.423 320 D N 2.309 122.750 120.400 0.069 0.000 2.447 320 D HA 0.190 4.827 4.640 -0.004 0.000 0.265 320 D C 1.040 177.365 176.300 0.041 0.000 1.250 320 D CA -0.111 53.916 54.000 0.045 0.000 1.046 320 D CB 0.709 41.527 40.800 0.030 0.000 1.095 320 D HN 0.442 nan 8.370 nan 0.000 0.555 321 A N -0.160 122.678 122.820 0.030 0.000 2.070 321 A HA -0.192 4.126 4.320 -0.004 0.000 0.220 321 A C 1.547 179.149 177.584 0.031 0.000 1.159 321 A CA 1.067 53.122 52.037 0.029 0.000 0.656 321 A CB -0.695 18.318 19.000 0.022 0.000 0.800 321 A HN 0.556 nan 8.150 nan 0.000 0.453 322 N N -0.814 117.905 118.700 0.031 0.000 2.322 322 N HA 0.149 4.887 4.740 -0.004 0.000 0.194 322 N C 1.085 176.619 175.510 0.041 0.000 1.126 322 N CA 0.945 54.014 53.050 0.031 0.000 0.845 322 N CB 0.394 38.896 38.487 0.024 0.000 0.976 322 N HN 0.617 nan 8.380 nan 0.000 0.475 323 G N 0.574 109.405 108.800 0.051 0.000 2.148 323 G HA2 -0.236 3.722 3.960 -0.004 0.000 0.254 323 G HA3 -0.236 3.722 3.960 -0.004 0.000 0.254 323 G C -0.106 174.839 174.900 0.074 0.000 0.981 323 G CA -0.069 45.073 45.100 0.069 0.000 0.670 323 G HN 0.212 nan 8.290 nan 0.000 0.528 324 Q N 0.452 120.283 119.800 0.052 0.000 2.230 324 Q HA 0.465 4.802 4.340 -0.004 0.000 0.253 324 Q C -2.310 173.706 176.000 0.027 0.000 0.919 324 Q CA -2.250 53.566 55.803 0.023 0.000 0.908 324 Q CB 1.719 30.457 28.738 -0.001 0.000 1.245 324 Q HN 0.315 nan 8.270 nan 0.000 0.437 325 P HA 0.184 nan 4.420 nan 0.000 0.271 325 P C -0.481 176.817 177.300 -0.003 0.000 1.220 325 P CA 0.098 63.182 63.100 -0.027 0.000 0.768 325 P CB 0.407 31.766 31.700 -0.569 0.000 0.848 326 I N 1.085 121.731 120.570 0.126 0.000 3.042 326 I HA 0.685 4.853 4.170 -0.004 0.000 0.310 326 I C -0.562 175.700 176.117 0.242 0.000 1.117 326 I CA -1.106 60.256 61.300 0.102 0.000 1.003 326 I CB 2.697 40.718 38.000 0.035 0.000 1.228 326 I HN 0.402 nan 8.210 nan 0.000 0.443 327 H N 1.522 120.682 119.070 0.150 0.000 2.996 327 H HA 0.320 4.874 4.556 -0.004 0.000 0.368 327 H C -2.158 173.311 175.328 0.234 0.000 1.185 327 H CA -0.789 55.389 56.048 0.216 0.000 1.160 327 H CB 1.270 31.204 29.762 0.287 0.000 1.820 327 H HN 0.818 nan 8.280 nan 0.000 0.547 328 Y N 2.266 122.692 120.300 0.210 0.000 2.442 328 Y HA 0.193 4.741 4.550 -0.004 0.000 0.330 328 Y C 0.284 176.425 175.900 0.402 0.000 1.129 328 Y CA 0.162 58.391 58.100 0.215 0.000 1.365 328 Y CB 0.942 39.539 38.460 0.227 0.000 1.233 328 Y HN 0.665 nan 8.280 nan 0.000 0.529 329 S N 8.236 123.763 115.700 -0.289 0.000 2.430 329 S HA 0.311 4.778 4.470 -0.004 0.000 0.289 329 S C -1.837 172.437 174.600 -0.544 0.000 1.143 329 S CA -1.599 56.523 58.200 -0.129 0.000 1.067 329 S CB 0.638 63.830 63.200 -0.013 0.000 0.964 329 S HN 0.661 nan 8.310 nan 0.000 0.485 330 P HA 0.072 nan 4.420 nan 0.000 0.249 330 P C -0.133 176.768 177.300 -0.665 0.000 1.241 330 P CA 0.422 63.200 63.100 -0.537 0.000 0.781 330 P CB -0.142 31.053 31.700 -0.841 0.000 1.088 331 Y N 1.064 121.243 120.300 -0.203 0.000 2.539 331 Y HA 0.084 4.632 4.550 -0.004 0.000 0.284 331 Y C 2.028 177.878 175.900 -0.083 0.000 1.134 331 Y CA 0.932 58.949 58.100 -0.138 0.000 1.251 331 Y CB -0.590 37.800 38.460 -0.117 0.000 1.260 331 Y HN 0.063 nan 8.280 nan 0.000 0.528 332 N N -1.040 117.678 118.700 0.030 0.000 2.159 332 N HA 0.199 4.936 4.740 -0.004 0.000 0.217 332 N C 1.323 176.794 175.510 -0.064 0.000 1.223 332 N CA 0.657 53.707 53.050 0.000 0.000 0.896 332 N CB 0.691 39.189 38.487 0.018 0.000 1.064 332 N HN 0.280 nan 8.380 nan 0.000 0.518 333 G N -0.134 108.539 108.800 -0.212 0.000 2.168 333 G HA2 -0.326 3.632 3.960 -0.004 0.000 0.263 333 G HA3 -0.326 3.632 3.960 -0.004 0.000 0.263 333 G C -0.293 174.542 174.900 -0.108 0.000 0.977 333 G CA 0.564 45.538 45.100 -0.210 0.000 0.659 333 G HN 0.529 nan 8.290 nan 0.000 0.533 334 Q N -0.762 118.960 119.800 -0.131 0.000 2.221 334 Q HA 0.617 4.955 4.340 -0.004 0.000 0.242 334 Q C -0.047 175.921 176.000 -0.054 0.000 0.940 334 Q CA -0.776 55.001 55.803 -0.044 0.000 0.896 334 Q CB 2.289 31.002 28.738 -0.042 0.000 1.226 334 Q HN 0.149 nan 8.270 nan 0.000 0.463 335 V N 3.083 122.995 119.914 -0.005 0.000 2.383 335 V HA 0.401 4.518 4.120 -0.004 0.000 0.275 335 V C -0.288 175.730 176.094 -0.127 0.000 1.036 335 V CA -0.284 61.998 62.300 -0.030 0.000 0.889 335 V CB 0.526 32.368 31.823 0.033 0.000 0.985 335 V HN 0.524 nan 8.190 nan 0.000 0.459 336 L N 6.822 127.862 121.223 -0.306 0.000 2.350 336 L HA 0.620 4.957 4.340 -0.004 0.000 0.260 336 L C -2.494 174.173 176.870 -0.338 0.000 1.015 336 L CA -2.031 52.620 54.840 -0.315 0.000 0.821 336 L CB 3.223 45.096 42.059 -0.310 0.000 1.370 336 L HN 0.383 nan 8.230 nan 0.000 0.416 337 P HA 0.347 nan 4.420 nan 0.000 0.274 337 P C -0.058 177.271 177.300 0.049 0.000 1.231 337 P CA 0.313 63.382 63.100 -0.052 0.000 0.790 337 P CB 1.125 32.806 31.700 -0.032 0.000 0.951 338 G N 0.362 109.166 108.800 0.006 0.000 2.525 338 G HA2 -0.084 3.874 3.960 -0.004 0.000 0.685 338 G HA3 -0.084 3.874 3.960 -0.004 0.000 0.685 338 G C -1.477 173.366 174.900 -0.095 0.000 1.290 338 G CA -0.948 44.106 45.100 -0.076 0.000 0.915 338 G HN 0.304 nan 8.290 nan 0.000 0.548 339 Y N -0.790 119.501 120.300 -0.016 0.000 2.326 339 Y HA 0.723 5.270 4.550 -0.004 0.000 0.333 339 Y C 0.942 176.785 175.900 -0.096 0.000 1.240 339 Y CA 0.286 58.291 58.100 -0.157 0.000 1.365 339 Y CB 1.589 40.004 38.460 -0.075 0.000 1.289 339 Y HN 0.836 nan 8.280 nan 0.000 0.548 340 M N 2.726 122.442 119.600 0.194 0.000 2.365 340 M HA 0.545 5.023 4.480 -0.004 0.000 0.288 340 M C -2.436 174.052 176.300 0.314 0.000 1.152 340 M CA -0.747 54.648 55.300 0.157 0.000 0.948 340 M CB 1.148 33.625 32.600 -0.205 0.000 1.729 340 M HN 0.397 nan 8.290 nan 0.000 0.487 341 F N 0.864 120.982 119.950 0.279 0.000 2.620 341 F HA 0.923 5.447 4.527 -0.004 0.000 0.320 341 F C 0.229 176.145 175.800 0.193 0.000 1.069 341 F CA -0.305 57.879 58.000 0.307 0.000 0.953 341 F CB 2.573 41.748 39.000 0.291 0.000 1.322 341 F HN 0.671 nan 8.300 nan 0.000 0.479 342 T N -1.046 113.731 114.554 0.372 0.000 2.653 342 T HA 0.355 4.702 4.350 -0.004 0.000 0.306 342 T C -2.170 172.712 174.700 0.304 0.000 1.426 342 T CA -0.503 61.709 62.100 0.186 0.000 1.008 342 T CB 0.903 69.658 68.868 -0.188 0.000 1.692 342 T HN 0.614 nan 8.240 nan 0.000 0.483 343 D N 0.844 121.403 120.400 0.266 0.000 2.800 343 D HA -0.082 4.556 4.640 -0.004 0.000 0.248 343 D C -0.569 175.936 176.300 0.341 0.000 1.091 343 D CA 1.463 55.714 54.000 0.418 0.000 0.746 343 D CB -1.421 39.720 40.800 0.569 0.000 1.062 343 D HN 0.636 nan 8.370 nan 0.000 0.431 344 T N -1.229 113.357 114.554 0.052 0.000 2.942 344 T HA 0.610 4.958 4.350 -0.004 0.000 0.327 344 T C -0.537 173.466 174.700 -1.160 0.000 1.360 344 T CA 0.019 61.916 62.100 -0.338 0.000 1.055 344 T CB 1.758 70.674 68.868 0.079 0.000 1.261 344 T HN 0.212 nan 8.240 nan 0.000 0.485 345 G N 2.329 110.055 108.800 -1.790 0.000 2.422 345 G HA2 0.551 4.508 3.960 -0.004 0.000 0.317 345 G HA3 0.551 4.508 3.960 -0.004 0.000 0.317 345 G C 0.366 174.950 174.900 -0.527 0.000 1.210 345 G CA -0.570 43.372 45.100 -1.931 0.000 0.930 345 G HN 0.595 nan 8.290 nan 0.000 0.468 346 F N 0.978 120.817 119.950 -0.184 0.000 2.293 346 F HA 0.064 4.589 4.527 -0.004 0.000 0.300 346 F C 2.035 178.000 175.800 0.274 0.000 1.086 346 F CA -0.189 57.844 58.000 0.055 0.000 1.375 346 F CB -0.408 38.601 39.000 0.015 0.000 1.045 346 F HN 0.757 nan 8.300 nan 0.000 0.516 347 W N 1.732 123.204 121.300 0.286 0.000 2.331 347 W HA -0.237 4.420 4.660 -0.004 0.000 0.291 347 W C 1.871 178.555 176.519 0.275 0.000 1.214 347 W CA 2.057 59.621 57.345 0.365 0.000 1.228 347 W CB -0.174 29.474 29.460 0.313 0.000 1.135 347 W HN -0.068 nan 8.180 nan 0.000 0.537 348 D N -1.376 119.228 120.400 0.339 0.000 2.144 348 D HA -0.113 4.524 4.640 -0.004 0.000 0.207 348 D C 2.132 178.426 176.300 -0.010 0.000 0.970 348 D CA 2.445 56.515 54.000 0.116 0.000 0.853 348 D CB -0.767 40.169 40.800 0.227 0.000 1.007 348 D HN 0.250 nan 8.370 nan 0.000 0.469 349 T N -0.848 113.805 114.554 0.165 0.000 3.081 349 T HA 0.007 4.354 4.350 -0.004 0.000 0.250 349 T C 1.882 176.775 174.700 0.322 0.000 1.100 349 T CA -0.276 61.986 62.100 0.270 0.000 1.038 349 T CB -0.689 68.458 68.868 0.464 0.000 0.962 349 T HN 0.201 nan 8.240 nan 0.000 0.516 350 F N 2.145 122.184 119.950 0.149 0.000 2.293 350 F HA 0.205 4.730 4.527 -0.004 0.000 0.300 350 F C 2.172 177.952 175.800 -0.034 0.000 1.086 350 F CA 0.036 58.037 58.000 0.002 0.000 1.375 350 F CB -0.410 38.530 39.000 -0.100 0.000 1.045 350 F HN -0.041 nan 8.300 nan 0.000 0.516 351 R N 0.427 120.448 120.500 -0.799 0.000 2.062 351 R HA -0.092 4.245 4.340 -0.004 0.000 0.231 351 R C 1.970 178.081 176.300 -0.316 0.000 1.136 351 R CA 2.108 57.748 56.100 -0.767 0.000 0.948 351 R CB -0.759 29.127 30.300 -0.690 0.000 0.845 351 R HN 0.660 nan 8.270 nan 0.000 0.430 352 C N -2.976 116.255 119.300 -0.115 0.000 4.403 352 C HA 0.354 4.812 4.460 -0.004 0.000 0.408 352 C C 1.893 177.026 174.990 0.238 0.000 1.714 352 C CA -0.871 58.104 59.018 -0.071 0.000 2.002 352 C CB -0.597 26.994 27.740 -0.249 0.000 3.129 352 C HN 0.328 nan 8.230 nan 0.000 0.662 353 L N 1.185 122.535 121.223 0.211 0.000 1.976 353 L HA 0.099 4.437 4.340 -0.004 0.000 0.209 353 L C 2.253 179.213 176.870 0.151 0.000 1.071 353 L CA 2.320 57.277 54.840 0.194 0.000 0.746 353 L CB -1.164 40.984 42.059 0.149 0.000 0.890 353 L HN 0.363 nan 8.230 nan 0.000 0.432 354 F N 0.488 120.531 119.950 0.155 0.000 2.171 354 F HA -0.089 4.436 4.527 -0.004 0.000 0.300 354 F C -0.281 175.605 175.800 0.143 0.000 1.090 354 F CA 1.387 59.460 58.000 0.122 0.000 1.293 354 F CB -1.730 37.293 39.000 0.038 0.000 1.013 354 F HN 0.220 nan 8.300 nan 0.000 0.486 355 P HA -0.172 nan 4.420 nan 0.000 0.217 355 P C 1.872 179.465 177.300 0.490 0.000 1.150 355 P CA 1.011 64.291 63.100 0.300 0.000 0.832 355 P CB -0.008 31.781 31.700 0.147 0.000 0.787 356 L N -0.743 120.809 121.223 0.547 0.000 2.079 356 L HA -0.164 4.174 4.340 -0.004 0.000 0.210 356 L C 2.087 179.155 176.870 0.330 0.000 1.081 356 L CA 1.802 56.853 54.840 0.352 0.000 0.752 356 L CB -1.328 40.822 42.059 0.153 0.000 0.896 356 L HN -0.105 nan 8.230 nan 0.000 0.433 357 L N -0.843 120.568 121.223 0.314 0.000 2.046 357 L HA -0.235 4.103 4.340 -0.004 0.000 0.208 357 L C 2.125 179.167 176.870 0.287 0.000 1.077 357 L CA 1.869 56.904 54.840 0.324 0.000 0.747 357 L CB -0.773 41.367 42.059 0.137 0.000 0.896 357 L HN 0.417 nan 8.230 nan 0.000 0.432 358 N N -0.333 118.527 118.700 0.266 0.000 2.309 358 N HA -0.167 4.571 4.740 -0.004 0.000 0.182 358 N C 1.704 177.431 175.510 0.363 0.000 1.018 358 N CA 0.470 53.663 53.050 0.237 0.000 0.876 358 N CB 0.075 38.642 38.487 0.133 0.000 0.972 358 N HN 0.142 nan 8.380 nan 0.000 0.434 359 L N 0.115 121.586 121.223 0.415 0.000 2.049 359 L HA 0.086 4.423 4.340 -0.004 0.000 0.203 359 L C 1.595 178.714 176.870 0.415 0.000 1.074 359 L CA 1.605 56.725 54.840 0.467 0.000 0.749 359 L CB -0.044 42.266 42.059 0.418 0.000 0.907 359 L HN 0.124 nan 8.230 nan 0.000 0.439 360 M N -2.196 117.500 119.600 0.159 0.000 2.491 360 M HA 0.172 4.650 4.480 -0.004 0.000 0.259 360 M C -0.032 175.903 176.300 -0.608 0.000 1.163 360 M CA 0.579 55.731 55.300 -0.248 0.000 1.109 360 M CB -0.055 32.202 32.600 -0.572 0.000 1.353 360 M HN 0.159 nan 8.290 nan 0.000 0.500 361 Y N -0.127 120.299 120.300 0.210 0.000 2.614 361 Y HA 0.308 4.856 4.550 -0.004 0.000 0.296 361 Y C -1.646 174.296 175.900 0.071 0.000 0.942 361 Y CA -1.875 56.311 58.100 0.143 0.000 1.111 361 Y CB -0.345 38.221 38.460 0.176 0.000 1.182 361 Y HN 0.061 nan 8.280 nan 0.000 0.624 362 P HA -0.180 nan 4.420 nan 0.000 0.218 362 P C 1.556 178.887 177.300 0.051 0.000 1.148 362 P CA 1.884 65.066 63.100 0.136 0.000 0.822 362 P CB 0.249 32.065 31.700 0.193 0.000 0.784 363 S N -1.046 114.682 115.700 0.047 0.000 2.447 363 S HA -0.057 4.411 4.470 -0.004 0.000 0.233 363 S C 2.002 176.553 174.600 -0.082 0.000 1.006 363 S CA 0.890 59.087 58.200 -0.004 0.000 0.957 363 S CB -1.580 61.634 63.200 0.024 0.000 0.773 363 S HN -0.022 nan 8.310 nan 0.000 0.507 364 V N 2.696 122.539 119.914 -0.118 0.000 2.346 364 V HA -0.068 4.049 4.120 -0.004 0.000 0.244 364 V C 2.720 178.581 176.094 -0.389 0.000 1.037 364 V CA 1.880 63.980 62.300 -0.334 0.000 1.029 364 V CB -1.118 30.326 31.823 -0.631 0.000 0.663 364 V HN 0.503 nan 8.190 nan 0.000 0.454 365 N N 0.558 119.115 118.700 -0.238 0.000 2.289 365 N HA -0.186 4.551 4.740 -0.004 0.000 0.184 365 N C 1.677 177.089 175.510 -0.163 0.000 1.016 365 N CA 1.208 54.152 53.050 -0.175 0.000 0.872 365 N CB -0.216 38.270 38.487 -0.001 0.000 0.973 365 N HN 0.369 nan 8.380 nan 0.000 0.433 366 K N 1.330 121.646 120.400 -0.141 0.000 2.032 366 K HA -0.099 4.218 4.320 -0.004 0.000 0.209 366 K C 1.590 178.076 176.600 -0.191 0.000 1.048 366 K CA 1.626 57.839 56.287 -0.123 0.000 0.927 366 K CB -0.327 32.120 32.500 -0.088 0.000 0.712 366 K HN 0.325 nan 8.250 nan 0.000 0.441 367 E N -0.225 119.777 120.200 -0.330 0.000 2.110 367 E HA -0.190 4.158 4.350 -0.004 0.000 0.193 367 E C 2.136 178.569 176.600 -0.279 0.000 0.988 367 E CA 1.647 57.747 56.400 -0.501 0.000 0.804 367 E CB -0.196 29.140 29.700 -0.608 0.000 0.745 367 E HN 0.365 nan 8.360 nan 0.000 0.458 368 M N 0.571 119.849 119.600 -0.537 0.000 2.117 368 M HA -0.187 4.291 4.480 -0.004 0.000 0.262 368 M C 2.305 178.551 176.300 -0.090 0.000 1.065 368 M CA 1.245 56.212 55.300 -0.556 0.000 1.114 368 M CB -0.069 32.200 32.600 -0.553 0.000 1.361 368 M HN -0.004 nan 8.290 nan 0.000 0.408 369 Q N 0.340 120.095 119.800 -0.075 0.000 2.084 369 Q HA -0.149 4.188 4.340 -0.004 0.000 0.202 369 Q C 1.899 177.939 176.000 0.066 0.000 0.978 369 Q CA 1.231 57.024 55.803 -0.018 0.000 0.844 369 Q CB -0.540 28.171 28.738 -0.044 0.000 0.898 369 Q HN 0.520 nan 8.270 nan 0.000 0.426 370 E N 0.143 120.391 120.200 0.079 0.000 2.110 370 E HA -0.122 4.226 4.350 -0.004 0.000 0.193 370 E C 2.046 178.779 176.600 0.220 0.000 0.988 370 E CA 1.173 57.672 56.400 0.165 0.000 0.804 370 E CB -0.408 29.431 29.700 0.232 0.000 0.745 370 E HN 0.495 nan 8.360 nan 0.000 0.458 371 G N 1.325 110.279 108.800 0.257 0.000 2.440 371 G HA2 -0.222 3.736 3.960 -0.004 0.000 0.218 371 G HA3 -0.222 3.736 3.960 -0.004 0.000 0.218 371 G C 1.745 176.798 174.900 0.256 0.000 1.154 371 G CA 0.592 45.874 45.100 0.304 0.000 0.767 371 G HN 0.183 nan 8.290 nan 0.000 0.552 372 L N 0.372 121.748 121.223 0.255 0.000 2.093 372 L HA -0.026 4.311 4.340 -0.004 0.000 0.208 372 L C 2.788 179.906 176.870 0.414 0.000 1.085 372 L CA 0.217 55.255 54.840 0.330 0.000 0.755 372 L CB -0.408 41.799 42.059 0.247 0.000 0.904 372 L HN 0.094 nan 8.230 nan 0.000 0.435 373 I N 0.570 121.342 120.570 0.338 0.000 2.163 373 I HA -0.316 3.852 4.170 -0.004 0.000 0.243 373 I C 2.081 178.311 176.117 0.189 0.000 1.085 373 I CA 1.840 63.315 61.300 0.293 0.000 1.347 373 I CB -1.330 36.795 38.000 0.207 0.000 1.044 373 I HN 0.389 nan 8.210 nan 0.000 0.408 374 N N -0.183 118.617 118.700 0.167 0.000 2.166 374 N HA -0.148 4.589 4.740 -0.004 0.000 0.186 374 N C 1.676 177.221 175.510 0.057 0.000 1.019 374 N CA 1.683 54.809 53.050 0.127 0.000 0.856 374 N CB -0.077 38.501 38.487 0.152 0.000 0.993 374 N HN 0.324 nan 8.380 nan 0.000 0.426 375 T N -0.069 114.509 114.554 0.042 0.000 2.720 375 T HA -0.205 4.142 4.350 -0.004 0.000 0.268 375 T C 1.569 176.119 174.700 -0.250 0.000 1.037 375 T CA 1.107 63.076 62.100 -0.219 0.000 1.144 375 T CB -0.423 68.355 68.868 -0.150 0.000 0.864 375 T HN 0.343 nan 8.240 nan 0.000 0.444 376 Y N 1.631 121.762 120.300 -0.282 0.000 2.200 376 Y HA -0.007 4.541 4.550 -0.004 0.000 0.290 376 Y C 1.981 177.686 175.900 -0.325 0.000 1.137 376 Y CA 1.026 58.846 58.100 -0.466 0.000 1.163 376 Y CB -0.525 37.349 38.460 -0.976 0.000 0.988 376 Y HN 0.119 nan 8.280 nan 0.000 0.518 377 L N -0.016 121.056 121.223 -0.251 0.000 2.131 377 L HA -0.200 4.137 4.340 -0.004 0.000 0.210 377 L C 1.998 178.725 176.870 -0.238 0.000 1.092 377 L CA 1.838 56.519 54.840 -0.266 0.000 0.759 377 L CB -0.427 41.592 42.059 -0.067 0.000 0.903 377 L HN 0.285 nan 8.230 nan 0.000 0.435 378 E N -1.086 119.018 120.200 -0.159 0.000 2.385 378 E HA -0.063 4.285 4.350 -0.004 0.000 0.194 378 E C 1.828 178.379 176.600 -0.082 0.000 1.013 378 E CA 0.928 57.285 56.400 -0.072 0.000 0.866 378 E CB 0.291 30.026 29.700 0.058 0.000 0.832 378 E HN 0.438 nan 8.360 nan 0.000 0.500 379 S N -1.915 113.681 115.700 -0.174 0.000 2.649 379 S HA 0.308 4.776 4.470 -0.004 0.000 0.246 379 S C 1.534 176.125 174.600 -0.016 0.000 1.057 379 S CA 0.338 58.526 58.200 -0.020 0.000 1.051 379 S CB 1.016 64.226 63.200 0.017 0.000 1.018 379 S HN 0.273 nan 8.310 nan 0.000 0.569 380 G N 0.454 109.037 108.800 -0.362 0.000 2.217 380 G HA2 -0.190 3.767 3.960 -0.004 0.000 0.246 380 G HA3 -0.190 3.767 3.960 -0.004 0.000 0.246 380 G C -0.138 174.328 174.900 -0.722 0.000 0.990 380 G CA 0.309 45.026 45.100 -0.639 0.000 0.627 380 G HN 0.555 nan 8.290 nan 0.000 0.522 381 F N -0.605 119.238 119.950 -0.178 0.000 2.601 381 F HA 0.723 5.247 4.527 -0.004 0.000 0.309 381 F C 0.105 175.982 175.800 0.129 0.000 1.089 381 F CA -1.375 56.680 58.000 0.091 0.000 0.940 381 F CB 1.184 40.211 39.000 0.045 0.000 1.273 381 F HN -0.052 nan 8.300 nan 0.000 0.450 382 F N 3.674 123.887 119.950 0.438 0.000 2.496 382 F HA 0.307 4.832 4.527 -0.004 0.000 0.344 382 F C -1.759 174.251 175.800 0.351 0.000 1.155 382 F CA -1.800 56.377 58.000 0.296 0.000 1.302 382 F CB -0.072 39.016 39.000 0.148 0.000 1.159 382 F HN 0.125 nan 8.300 nan 0.000 0.595 383 P HA 0.180 nan 4.420 nan 0.000 0.276 383 P C -0.466 177.020 177.300 0.310 0.000 1.252 383 P CA -0.151 63.217 63.100 0.448 0.000 0.802 383 P CB 1.708 33.572 31.700 0.273 0.000 1.035 384 E N -0.150 120.156 120.200 0.178 0.000 2.870 384 E HA 0.090 4.437 4.350 -0.004 0.000 0.185 384 E C -0.187 176.338 176.600 -0.125 0.000 1.084 384 E CA 0.617 57.084 56.400 0.112 0.000 1.246 384 E CB -0.242 29.599 29.700 0.235 0.000 1.382 384 E HN 0.458 nan 8.360 nan 0.000 0.492 385 W N 1.235 122.542 121.300 0.012 0.000 2.349 385 W HA 0.564 5.222 4.660 -0.004 0.000 0.309 385 W C -0.576 175.937 176.519 -0.010 0.000 1.083 385 W CA -0.286 57.048 57.345 -0.019 0.000 1.224 385 W CB 1.430 30.905 29.460 0.025 0.000 1.256 385 W HN 0.051 nan 8.180 nan 0.000 0.461 386 A N 3.151 126.164 122.820 0.323 0.000 2.343 386 A HA 0.699 5.016 4.320 -0.004 0.000 0.308 386 A C -0.760 176.953 177.584 0.214 0.000 1.092 386 A CA -0.544 51.604 52.037 0.184 0.000 0.751 386 A CB 1.824 20.866 19.000 0.070 0.000 1.203 386 A HN 0.341 nan 8.150 nan 0.000 0.452 387 S N 3.731 119.447 115.700 0.026 0.000 2.666 387 S HA 0.414 4.882 4.470 -0.004 0.000 0.165 387 S C -2.548 171.843 174.600 -0.348 0.000 0.865 387 S CA -0.426 57.763 58.200 -0.019 0.000 1.038 387 S CB 0.997 64.309 63.200 0.188 0.000 1.507 387 S HN 0.467 nan 8.310 nan 0.000 0.422 388 P HA 0.238 nan 4.420 nan 0.000 0.226 388 P C 1.010 177.837 177.300 -0.787 0.000 1.161 388 P CA 0.509 63.097 63.100 -0.853 0.000 0.804 388 P CB 0.027 30.915 31.700 -1.352 0.000 0.829 389 G N -0.464 107.886 108.800 -0.749 0.000 2.568 389 G HA2 0.203 4.160 3.960 -0.004 0.000 0.293 389 G HA3 0.203 4.160 3.960 -0.004 0.000 0.293 389 G C -0.539 174.179 174.900 -0.303 0.000 1.347 389 G CA -0.405 44.206 45.100 -0.814 0.000 1.039 389 G HN 0.086 nan 8.290 nan 0.000 0.523 390 H N 0.746 119.843 119.070 0.046 0.000 3.034 390 H HA 0.166 4.720 4.556 -0.004 0.000 0.324 390 H C 0.287 175.564 175.328 -0.084 0.000 1.015 390 H CA 0.581 56.626 56.048 -0.004 0.000 1.429 390 H CB 0.439 30.097 29.762 -0.172 0.000 1.429 390 H HN 0.133 nan 8.280 nan 0.000 0.585 391 R N 1.529 122.091 120.500 0.103 0.000 2.686 391 R HA 0.309 4.646 4.340 -0.004 0.000 0.283 391 R C 0.208 176.523 176.300 0.025 0.000 0.978 391 R CA -0.932 55.178 56.100 0.017 0.000 0.897 391 R CB 2.184 32.469 30.300 -0.024 0.000 1.192 391 R HN 0.782 nan 8.270 nan 0.000 0.457 392 G N 0.757 109.540 108.800 -0.029 0.000 2.391 392 G HA2 0.399 4.357 3.960 -0.004 0.000 0.305 392 G HA3 0.399 4.357 3.960 -0.004 0.000 0.305 392 G C -0.515 174.356 174.900 -0.048 0.000 1.072 392 G CA -0.084 45.005 45.100 -0.019 0.000 1.016 392 G HN 0.525 nan 8.290 nan 0.000 0.418 393 C N 5.305 124.602 119.300 -0.005 0.000 3.254 393 C HA 0.580 5.037 4.460 -0.004 0.000 0.405 393 C C -0.135 174.913 174.990 0.096 0.000 1.027 393 C CA -0.603 58.372 59.018 -0.073 0.000 1.192 393 C CB 0.265 27.751 27.740 -0.423 0.000 1.567 393 C HN 1.078 nan 8.230 nan 0.000 0.582 394 M N 2.887 122.463 119.600 -0.040 0.000 7.319 394 M HA -0.136 4.341 4.480 -0.004 0.000 0.129 394 M C 0.001 176.272 176.300 -0.049 0.000 0.480 394 M CA 1.826 57.015 55.300 -0.186 0.000 1.311 394 M CB -2.199 30.286 32.600 -0.191 0.000 0.421 394 M HN 1.929 nan 8.290 nan 0.000 0.500 395 V N -3.350 116.559 119.914 -0.008 0.000 3.181 395 V HA 1.027 5.145 4.120 -0.004 0.000 0.307 395 V C 0.135 176.474 176.094 0.409 0.000 1.310 395 V CA 0.665 63.071 62.300 0.176 0.000 1.067 395 V CB 1.219 33.105 31.823 0.105 0.000 1.081 395 V HN 2.719 nan 8.190 nan 0.000 0.453 396 G N 0.644 109.661 108.800 0.360 0.000 2.712 396 G HA2 -0.135 3.823 3.960 -0.004 0.000 0.683 396 G HA3 -0.135 3.823 3.960 -0.004 0.000 0.683 396 G C -0.406 174.754 174.900 0.434 0.000 1.320 396 G CA 0.094 45.454 45.100 0.432 0.000 0.847 396 G HN 1.723 nan 8.290 nan 0.000 0.553 397 N N -0.091 118.823 118.700 0.358 0.000 2.610 397 N HA 0.136 4.874 4.740 -0.004 0.000 0.309 397 N C 1.011 176.535 175.510 0.024 0.000 1.536 397 N CA 0.032 53.171 53.050 0.148 0.000 0.954 397 N CB -0.161 38.310 38.487 -0.027 0.000 1.310 397 N HN 0.498 nan 8.380 nan 0.000 0.502 398 N N -0.543 118.188 118.700 0.052 0.000 2.521 398 N HA -0.111 4.627 4.740 -0.004 0.000 0.188 398 N C 1.863 177.225 175.510 -0.247 0.000 1.146 398 N CA 0.426 53.367 53.050 -0.181 0.000 0.893 398 N CB 0.297 38.644 38.487 -0.232 0.000 0.975 398 N HN 0.327 nan 8.380 nan 0.000 0.451 399 S N 0.521 116.161 115.700 -0.101 0.000 2.402 399 S HA -0.201 4.267 4.470 -0.004 0.000 0.233 399 S C 2.157 176.450 174.600 -0.512 0.000 1.030 399 S CA 0.928 58.922 58.200 -0.343 0.000 1.003 399 S CB -0.469 62.732 63.200 0.003 0.000 0.813 399 S HN 0.358 nan 8.310 nan 0.000 0.477 400 A N 1.754 124.335 122.820 -0.399 0.000 1.883 400 A HA -0.092 4.226 4.320 -0.004 0.000 0.217 400 A C 2.499 179.794 177.584 -0.482 0.000 1.186 400 A CA 2.167 53.933 52.037 -0.453 0.000 0.624 400 A CB -1.521 17.238 19.000 -0.401 0.000 0.822 400 A HN 0.645 nan 8.150 nan 0.000 0.444 401 S N -0.451 114.956 115.700 -0.488 0.000 2.356 401 S HA -0.142 4.325 4.470 -0.004 0.000 0.223 401 S C 1.955 176.342 174.600 -0.355 0.000 1.032 401 S CA 1.480 59.438 58.200 -0.404 0.000 1.005 401 S CB -0.481 62.501 63.200 -0.363 0.000 0.867 401 S HN 0.404 nan 8.310 nan 0.000 0.449 402 I N 1.434 121.695 120.570 -0.516 0.000 2.163 402 I HA -0.176 3.992 4.170 -0.004 0.000 0.243 402 I C 2.396 178.209 176.117 -0.507 0.000 1.085 402 I CA 1.387 62.299 61.300 -0.647 0.000 1.347 402 I CB -1.333 35.907 38.000 -1.266 0.000 1.044 402 I HN 0.367 nan 8.210 nan 0.000 0.408 403 L N -0.149 120.748 121.223 -0.543 0.000 2.056 403 L HA -0.148 4.189 4.340 -0.004 0.000 0.207 403 L C 2.610 179.299 176.870 -0.302 0.000 1.078 403 L CA 0.786 55.355 54.840 -0.453 0.000 0.749 403 L CB -0.545 41.149 42.059 -0.608 0.000 0.901 403 L HN 0.007 nan 8.230 nan 0.000 0.433 404 V N -0.336 119.384 119.914 -0.324 0.000 2.379 404 V HA -0.270 3.847 4.120 -0.004 0.000 0.245 404 V C 2.130 178.126 176.094 -0.165 0.000 1.044 404 V CA 1.959 64.104 62.300 -0.257 0.000 1.036 404 V CB -0.422 31.194 31.823 -0.345 0.000 0.664 404 V HN 0.452 nan 8.190 nan 0.000 0.453 405 D N 0.476 120.773 120.400 -0.172 0.000 2.123 405 D HA -0.162 4.476 4.640 -0.004 0.000 0.196 405 D C 2.126 178.355 176.300 -0.119 0.000 0.992 405 D CA 1.604 55.529 54.000 -0.126 0.000 0.833 405 D CB -0.135 40.612 40.800 -0.087 0.000 0.954 405 D HN 0.353 nan 8.370 nan 0.000 0.455 406 A N -0.662 122.095 122.820 -0.106 0.000 1.883 406 A HA -0.198 4.119 4.320 -0.004 0.000 0.217 406 A C 2.283 179.824 177.584 -0.071 0.000 1.186 406 A CA 1.667 53.658 52.037 -0.076 0.000 0.624 406 A CB -1.401 17.555 19.000 -0.072 0.000 0.822 406 A HN 0.518 nan 8.150 nan 0.000 0.444 407 Y N -0.116 120.083 120.300 -0.168 0.000 2.181 407 Y HA -0.198 4.349 4.550 -0.004 0.000 0.288 407 Y C 2.297 178.104 175.900 -0.155 0.000 1.146 407 Y CA 2.091 60.100 58.100 -0.152 0.000 1.164 407 Y CB -0.147 38.212 38.460 -0.168 0.000 0.982 407 Y HN 0.212 nan 8.280 nan 0.000 0.515 408 M N -0.051 119.551 119.600 0.003 0.000 2.374 408 M HA -0.137 4.341 4.480 -0.004 0.000 0.264 408 M C 1.324 177.501 176.300 -0.204 0.000 1.067 408 M CA 1.510 56.756 55.300 -0.090 0.000 1.103 408 M CB -0.741 31.791 32.600 -0.113 0.000 1.402 408 M HN 0.169 nan 8.290 nan 0.000 0.444 409 K N -0.355 119.896 120.400 -0.247 0.000 2.446 409 K HA 0.281 4.598 4.320 -0.004 0.000 0.203 409 K C 0.878 177.362 176.600 -0.193 0.000 1.027 409 K CA 0.315 56.394 56.287 -0.348 0.000 1.166 409 K CB 0.077 32.271 32.500 -0.511 0.000 0.869 409 K HN 0.466 nan 8.250 nan 0.000 0.504 410 G N 0.385 109.063 108.800 -0.204 0.000 2.176 410 G HA2 -0.226 3.732 3.960 -0.004 0.000 0.253 410 G HA3 -0.226 3.732 3.960 -0.004 0.000 0.253 410 G C 0.033 174.856 174.900 -0.129 0.000 0.979 410 G CA -0.013 44.991 45.100 -0.160 0.000 0.641 410 G HN 0.148 nan 8.290 nan 0.000 0.530 411 V N 1.747 121.584 119.914 -0.127 0.000 2.299 411 V HA 0.384 4.502 4.120 -0.004 0.000 0.255 411 V C 0.430 176.457 176.094 -0.111 0.000 1.100 411 V CA -0.022 62.229 62.300 -0.081 0.000 0.938 411 V CB 0.765 32.567 31.823 -0.035 0.000 1.139 411 V HN 0.311 nan 8.190 nan 0.000 0.490 412 K N 3.722 124.050 120.400 -0.121 0.000 2.307 412 K HA 0.556 4.874 4.320 -0.004 0.000 0.263 412 K C -0.183 176.419 176.600 0.004 0.000 0.973 412 K CA -0.695 55.532 56.287 -0.100 0.000 0.846 412 K CB 2.363 34.723 32.500 -0.234 0.000 1.100 412 K HN 0.528 nan 8.250 nan 0.000 0.438 413 V N -0.333 119.620 119.914 0.065 0.000 3.139 413 V HA -0.013 4.104 4.120 -0.004 0.000 0.307 413 V C 0.747 176.886 176.094 0.075 0.000 1.095 413 V CA -0.034 62.308 62.300 0.070 0.000 1.160 413 V CB 0.652 32.525 31.823 0.083 0.000 1.003 413 V HN 0.673 nan 8.190 nan 0.000 0.489 414 D N 0.808 121.250 120.400 0.070 0.000 2.117 414 D HA -0.083 4.555 4.640 -0.004 0.000 0.197 414 D C 0.850 177.187 176.300 0.062 0.000 0.987 414 D CA 1.951 55.988 54.000 0.062 0.000 0.829 414 D CB -0.107 40.730 40.800 0.061 0.000 0.961 414 D HN 0.884 nan 8.370 nan 0.000 0.460 415 D N 0.199 120.641 120.400 0.068 0.000 2.557 415 D HA 0.137 4.775 4.640 -0.004 0.000 0.236 415 D C 1.273 177.605 176.300 0.054 0.000 1.154 415 D CA -0.238 53.797 54.000 0.058 0.000 0.985 415 D CB -0.263 40.575 40.800 0.064 0.000 1.010 415 D HN 0.049 nan 8.370 nan 0.000 0.516 416 I N 1.394 121.992 120.570 0.046 0.000 2.493 416 I HA -0.208 3.959 4.170 -0.004 0.000 0.254 416 I C 2.336 178.451 176.117 -0.004 0.000 1.160 416 I CA 0.641 61.950 61.300 0.015 0.000 1.445 416 I CB 0.027 38.033 38.000 0.011 0.000 1.086 416 I HN 0.293 nan 8.210 nan 0.000 0.433 417 K N 1.077 121.481 120.400 0.006 0.000 2.026 417 K HA -0.179 4.139 4.320 -0.004 0.000 0.208 417 K C 2.001 178.618 176.600 0.027 0.000 1.048 417 K CA 2.019 58.315 56.287 0.015 0.000 0.929 417 K CB -0.112 32.394 32.500 0.009 0.000 0.713 417 K HN 0.144 nan 8.250 nan 0.000 0.439 418 T N 2.025 116.593 114.554 0.023 0.000 2.821 418 T HA -0.117 4.231 4.350 -0.004 0.000 0.267 418 T C 1.650 176.311 174.700 -0.065 0.000 1.046 418 T CA 1.111 63.212 62.100 0.002 0.000 1.139 418 T CB -0.201 68.701 68.868 0.057 0.000 0.871 418 T HN 0.227 nan 8.240 nan 0.000 0.454 419 L N 0.508 121.742 121.223 0.017 0.000 1.989 419 L HA -0.078 4.259 4.340 -0.004 0.000 0.211 419 L C 2.097 178.948 176.870 -0.032 0.000 1.071 419 L CA 1.843 56.714 54.840 0.051 0.000 0.749 419 L CB -1.145 40.909 42.059 -0.009 0.000 0.890 419 L HN 0.254 nan 8.230 nan 0.000 0.431 420 Y N 0.627 120.825 120.300 -0.170 0.000 2.181 420 Y HA -0.207 4.341 4.550 -0.004 0.000 0.288 420 Y C 2.509 178.303 175.900 -0.177 0.000 1.146 420 Y CA 2.173 60.150 58.100 -0.205 0.000 1.164 420 Y CB -0.157 38.179 38.460 -0.207 0.000 0.982 420 Y HN 0.420 nan 8.280 nan 0.000 0.515 421 E N -0.832 119.298 120.200 -0.117 0.000 2.110 421 E HA -0.168 4.180 4.350 -0.004 0.000 0.193 421 E C 2.411 178.812 176.600 -0.331 0.000 0.988 421 E CA 0.917 57.215 56.400 -0.171 0.000 0.804 421 E CB -0.524 29.140 29.700 -0.060 0.000 0.745 421 E HN 0.629 nan 8.360 nan 0.000 0.458 422 G N 1.246 109.672 108.800 -0.623 0.000 2.440 422 G HA2 -0.255 3.703 3.960 -0.004 0.000 0.218 422 G HA3 -0.255 3.703 3.960 -0.004 0.000 0.218 422 G C 1.562 176.309 174.900 -0.255 0.000 1.154 422 G CA 0.581 45.035 45.100 -1.076 0.000 0.767 422 G HN 0.086 nan 8.290 nan 0.000 0.552 423 L N 0.362 121.490 121.223 -0.158 0.000 1.994 423 L HA -0.093 4.244 4.340 -0.004 0.000 0.208 423 L C 2.855 179.537 176.870 -0.313 0.000 1.071 423 L CA 0.617 55.302 54.840 -0.259 0.000 0.745 423 L CB -0.411 41.357 42.059 -0.484 0.000 0.892 423 L HN 0.111 nan 8.230 nan 0.000 0.431 424 I N -0.602 119.715 120.570 -0.421 0.000 2.208 424 I HA -0.353 3.814 4.170 -0.004 0.000 0.245 424 I C 2.588 178.610 176.117 -0.157 0.000 1.097 424 I CA 1.693 62.828 61.300 -0.276 0.000 1.363 424 I CB -1.626 36.216 38.000 -0.263 0.000 1.051 424 I HN 0.454 nan 8.210 nan 0.000 0.413 425 H N 1.349 120.281 119.070 -0.230 0.000 2.352 425 H HA -0.138 4.415 4.556 -0.004 0.000 0.299 425 H C 2.143 177.343 175.328 -0.214 0.000 1.097 425 H CA 1.893 57.811 56.048 -0.218 0.000 1.311 425 H CB -0.074 29.569 29.762 -0.199 0.000 1.377 425 H HN 0.322 nan 8.280 nan 0.000 0.504 426 G N -0.307 108.438 108.800 -0.091 0.000 2.470 426 G HA2 -0.248 3.710 3.960 -0.004 0.000 0.220 426 G HA3 -0.248 3.710 3.960 -0.004 0.000 0.220 426 G C 1.807 176.598 174.900 -0.181 0.000 1.121 426 G CA 1.298 46.372 45.100 -0.044 0.000 0.766 426 G HN 0.609 nan 8.290 nan 0.000 0.553 427 T N -1.036 113.392 114.554 -0.210 0.000 3.118 427 T HA 0.089 4.437 4.350 -0.004 0.000 0.260 427 T C 1.333 175.842 174.700 -0.318 0.000 1.139 427 T CA 1.237 63.219 62.100 -0.196 0.000 1.085 427 T CB -0.046 68.818 68.868 -0.007 0.000 0.934 427 T HN 0.584 nan 8.240 nan 0.000 0.518 428 E N 0.059 119.934 120.200 -0.542 0.000 2.921 428 E HA 0.277 4.625 4.350 -0.004 0.000 0.203 428 E C -0.642 175.113 176.600 -1.408 0.000 0.975 428 E CA -0.743 55.065 56.400 -0.987 0.000 1.225 428 E CB 0.284 29.690 29.700 -0.490 0.000 1.048 428 E HN 0.278 nan 8.360 nan 0.000 0.477 429 N N 0.739 118.855 118.700 -0.973 0.000 2.329 429 N HA 0.374 5.112 4.740 -0.004 0.000 0.282 429 N C -1.832 173.679 175.510 0.001 0.000 1.198 429 N CA -0.563 52.198 53.050 -0.481 0.000 0.790 429 N CB 3.021 41.223 38.487 -0.475 0.000 1.579 429 N HN 0.008 nan 8.380 nan 0.000 0.475 430 V N 0.758 120.807 119.914 0.225 0.000 2.735 430 V HA 0.288 4.405 4.120 -0.004 0.000 0.310 430 V C -0.611 175.498 176.094 0.025 0.000 1.061 430 V CA -0.564 61.834 62.300 0.163 0.000 0.913 430 V CB 1.605 33.543 31.823 0.192 0.000 1.005 430 V HN 0.824 nan 8.190 nan 0.000 0.428 431 H N 8.350 127.092 119.070 -0.546 0.000 2.964 431 H HA 0.263 4.816 4.556 -0.004 0.000 0.328 431 H C -1.591 173.617 175.328 -0.200 0.000 1.030 431 H CA -0.389 55.258 56.048 -0.668 0.000 1.445 431 H CB 1.600 30.810 29.762 -0.920 0.000 1.449 431 H HN 0.516 nan 8.280 nan 0.000 0.581 432 P HA -0.125 nan 4.420 nan 0.000 0.221 432 P C 0.331 177.668 177.300 0.062 0.000 1.150 432 P CA 1.100 64.172 63.100 -0.047 0.000 0.800 432 P CB 0.557 32.208 31.700 -0.083 0.000 0.787 433 E N -0.804 119.537 120.200 0.235 0.000 2.413 433 E HA 0.128 4.476 4.350 -0.004 0.000 0.203 433 E C 0.325 177.009 176.600 0.141 0.000 0.957 433 E CA 0.284 56.805 56.400 0.202 0.000 0.950 433 E CB 0.625 30.455 29.700 0.217 0.000 0.957 433 E HN 0.103 nan 8.360 nan 0.000 0.497 434 V N 2.933 122.937 119.914 0.150 0.000 2.305 434 V HA 0.063 4.181 4.120 -0.004 0.000 0.275 434 V C 1.176 177.232 176.094 -0.062 0.000 1.020 434 V CA -0.039 62.209 62.300 -0.087 0.000 0.811 434 V CB 1.272 32.874 31.823 -0.368 0.000 1.031 434 V HN 0.141 nan 8.190 nan 0.000 0.439 435 S N 2.338 118.034 115.700 -0.006 0.000 2.474 435 S HA -0.112 4.356 4.470 -0.004 0.000 0.235 435 S C 1.737 176.355 174.600 0.030 0.000 0.997 435 S CA 1.145 59.356 58.200 0.020 0.000 0.949 435 S CB -0.125 63.097 63.200 0.036 0.000 0.766 435 S HN 0.897 nan 8.310 nan 0.000 0.517 436 S N -0.056 115.656 115.700 0.020 0.000 2.575 436 S HA 0.188 4.656 4.470 -0.004 0.000 0.215 436 S C 0.378 175.009 174.600 0.052 0.000 0.966 436 S CA -0.378 57.864 58.200 0.071 0.000 0.911 436 S CB -0.355 62.907 63.200 0.103 0.000 0.780 436 S HN 0.376 nan 8.310 nan 0.000 0.514 437 T N 2.466 116.972 114.554 -0.080 0.000 2.771 437 T HA 0.663 5.011 4.350 -0.004 0.000 0.281 437 T C 0.631 175.196 174.700 -0.226 0.000 0.982 437 T CA 0.270 62.250 62.100 -0.200 0.000 0.978 437 T CB 0.897 69.430 68.868 -0.560 0.000 0.930 437 T HN 0.817 nan 8.240 nan 0.000 0.447 438 G N 3.168 111.972 108.800 0.006 0.000 2.632 438 G HA2 -0.188 3.769 3.960 -0.004 0.000 0.224 438 G HA3 -0.188 3.769 3.960 -0.004 0.000 0.224 438 G C -0.785 174.169 174.900 0.091 0.000 1.341 438 G CA -0.846 44.350 45.100 0.159 0.000 0.880 438 G HN 0.765 nan 8.290 nan 0.000 0.566 439 R N -0.224 120.314 120.500 0.064 0.000 2.335 439 R HA 0.397 4.734 4.340 -0.004 0.000 0.302 439 R C 0.029 176.478 176.300 0.247 0.000 1.147 439 R CA -0.825 55.301 56.100 0.042 0.000 1.111 439 R CB 1.107 31.218 30.300 -0.315 0.000 1.122 439 R HN 0.538 nan 8.270 nan 0.000 0.557 440 L N 1.905 123.286 121.223 0.263 0.000 2.578 440 L HA 0.085 4.423 4.340 -0.004 0.000 0.279 440 L C 1.189 178.223 176.870 0.273 0.000 1.227 440 L CA 1.756 56.733 54.840 0.228 0.000 0.900 440 L CB 0.447 42.603 42.059 0.162 0.000 1.144 440 L HN 0.926 nan 8.230 nan 0.000 0.496 441 G N 3.386 112.298 108.800 0.187 0.000 2.143 441 G HA2 -0.394 3.564 3.960 -0.004 0.000 0.249 441 G HA3 -0.394 3.564 3.960 -0.004 0.000 0.249 441 G C 0.547 175.559 174.900 0.186 0.000 0.981 441 G CA 0.786 46.010 45.100 0.207 0.000 0.665 441 G HN 1.141 nan 8.290 nan 0.000 0.528 442 Y N 0.042 120.419 120.300 0.130 0.000 2.274 442 Y HA 0.143 4.691 4.550 -0.004 0.000 0.290 442 Y C 2.158 178.109 175.900 0.085 0.000 1.145 442 Y CA 1.687 59.838 58.100 0.084 0.000 1.203 442 Y CB -0.415 38.024 38.460 -0.035 0.000 0.984 442 Y HN 0.357 nan 8.280 nan 0.000 0.533 443 E N 0.437 120.194 120.200 -0.738 0.000 2.058 443 E HA -0.185 4.163 4.350 -0.004 0.000 0.194 443 E C 1.756 178.189 176.600 -0.279 0.000 0.997 443 E CA 2.031 58.114 56.400 -0.528 0.000 0.801 443 E CB -0.708 28.549 29.700 -0.738 0.000 0.746 443 E HN 0.630 nan 8.360 nan 0.000 0.450 444 Y N -0.766 119.457 120.300 -0.129 0.000 2.163 444 Y HA -0.199 4.349 4.550 -0.004 0.000 0.288 444 Y C 2.293 178.144 175.900 -0.082 0.000 1.136 444 Y CA 1.364 59.389 58.100 -0.125 0.000 1.147 444 Y CB -0.779 37.602 38.460 -0.131 0.000 0.987 444 Y HN 0.134 nan 8.280 nan 0.000 0.509 445 Y N 1.084 121.442 120.300 0.097 0.000 2.128 445 Y HA -0.287 4.261 4.550 -0.004 0.000 0.284 445 Y C 1.954 177.890 175.900 0.061 0.000 1.154 445 Y CA 2.086 60.252 58.100 0.109 0.000 1.149 445 Y CB -0.773 37.844 38.460 0.262 0.000 0.976 445 Y HN 0.164 nan 8.280 nan 0.000 0.505 446 N N -0.200 118.607 118.700 0.179 0.000 2.223 446 N HA -0.192 4.546 4.740 -0.004 0.000 0.185 446 N C 1.842 177.314 175.510 -0.064 0.000 1.016 446 N CA 1.186 54.265 53.050 0.048 0.000 0.863 446 N CB -0.166 38.400 38.487 0.131 0.000 0.983 446 N HN 0.350 nan 8.380 nan 0.000 0.429 447 K N 1.065 121.424 120.400 -0.068 0.000 2.067 447 K HA 0.028 4.345 4.320 -0.004 0.000 0.203 447 K C 1.601 178.130 176.600 -0.117 0.000 1.048 447 K CA 0.755 56.988 56.287 -0.091 0.000 0.954 447 K CB 0.212 32.654 32.500 -0.096 0.000 0.737 447 K HN 0.099 nan 8.250 nan 0.000 0.444 448 L N -1.329 119.790 121.223 -0.172 0.000 2.515 448 L HA 0.283 4.621 4.340 -0.004 0.000 0.223 448 L C 1.135 177.889 176.870 -0.193 0.000 1.079 448 L CA 0.448 55.145 54.840 -0.238 0.000 0.857 448 L CB 0.714 42.463 42.059 -0.517 0.000 1.050 448 L HN 0.581 nan 8.230 nan 0.000 0.476 449 G N 0.095 108.746 108.800 -0.248 0.000 2.159 449 G HA2 -0.288 3.669 3.960 -0.004 0.000 0.227 449 G HA3 -0.288 3.669 3.960 -0.004 0.000 0.227 449 G C -0.041 174.827 174.900 -0.053 0.000 0.986 449 G CA 0.173 45.140 45.100 -0.222 0.000 0.651 449 G HN 0.426 nan 8.290 nan 0.000 0.523 450 Y N -2.836 117.416 120.300 -0.081 0.000 2.677 450 Y HA 0.647 5.195 4.550 -0.004 0.000 0.334 450 Y C -0.516 175.502 175.900 0.196 0.000 1.196 450 Y CA -1.698 56.467 58.100 0.109 0.000 1.059 450 Y CB 0.813 39.289 38.460 0.026 0.000 1.315 450 Y HN 0.400 nan 8.280 nan 0.000 0.455 451 V N 3.293 123.415 119.914 0.345 0.000 2.385 451 V HA 0.401 4.519 4.120 -0.004 0.000 0.269 451 V C -2.211 173.962 176.094 0.132 0.000 1.043 451 V CA -1.729 60.668 62.300 0.163 0.000 0.906 451 V CB 0.730 32.634 31.823 0.134 0.000 0.995 451 V HN 0.596 nan 8.190 nan 0.000 0.467 452 P HA 0.099 nan 4.420 nan 0.000 0.272 452 P C 0.041 177.336 177.300 -0.009 0.000 1.240 452 P CA -0.089 63.030 63.100 0.031 0.000 0.791 452 P CB 0.604 32.173 31.700 -0.218 0.000 0.978 453 Y N 1.279 121.531 120.300 -0.080 0.000 2.517 453 Y HA 0.001 4.549 4.550 -0.004 0.000 0.281 453 Y C 0.619 176.458 175.900 -0.102 0.000 1.125 453 Y CA 0.800 58.837 58.100 -0.105 0.000 1.283 453 Y CB 0.242 38.646 38.460 -0.093 0.000 1.042 453 Y HN 0.243 nan 8.280 nan 0.000 0.547 454 D N 0.176 120.536 120.400 -0.067 0.000 2.891 454 D HA 0.075 4.712 4.640 -0.004 0.000 0.312 454 D C 0.069 176.282 176.300 -0.145 0.000 1.354 454 D CA 0.198 54.134 54.000 -0.106 0.000 0.838 454 D CB -0.240 40.572 40.800 0.020 0.000 1.117 454 D HN 0.186 nan 8.370 nan 0.000 0.473 455 V N -2.962 116.826 119.914 -0.210 0.000 2.991 455 V HA 0.442 4.560 4.120 -0.004 0.000 0.355 455 V C 0.325 176.340 176.094 -0.132 0.000 1.384 455 V CA -0.854 61.321 62.300 -0.208 0.000 1.171 455 V CB -0.469 31.070 31.823 -0.474 0.000 1.190 455 V HN 0.086 nan 8.190 nan 0.000 0.540 456 K N 0.406 120.727 120.400 -0.131 0.000 3.230 456 K HA -0.143 4.174 4.320 -0.004 0.000 0.285 456 K C -0.221 176.335 176.600 -0.074 0.000 1.196 456 K CA 1.363 57.596 56.287 -0.091 0.000 0.838 456 K CB -1.735 30.737 32.500 -0.046 0.000 1.262 456 K HN 0.771 nan 8.250 nan 0.000 0.492 457 I N 1.605 122.111 120.570 -0.106 0.000 2.405 457 I HA 0.168 4.335 4.170 -0.004 0.000 0.280 457 I C 0.225 176.276 176.117 -0.109 0.000 1.027 457 I CA -0.955 60.303 61.300 -0.069 0.000 1.161 457 I CB 1.023 39.002 38.000 -0.035 0.000 1.300 457 I HN 0.081 nan 8.210 nan 0.000 0.463 458 N N 5.606 124.257 118.700 -0.081 0.000 2.415 458 N HA 0.067 4.805 4.740 -0.004 0.000 0.248 458 N C 0.477 175.908 175.510 -0.132 0.000 1.271 458 N CA 0.175 53.160 53.050 -0.107 0.000 0.913 458 N CB 0.438 38.927 38.487 0.002 0.000 1.129 458 N HN 0.524 nan 8.380 nan 0.000 0.444 459 E N -1.095 118.978 120.200 -0.211 0.000 2.722 459 E HA -0.283 4.064 4.350 -0.004 0.000 0.265 459 E C 0.455 176.919 176.600 -0.227 0.000 1.081 459 E CA 0.431 56.697 56.400 -0.223 0.000 0.781 459 E CB -1.884 27.737 29.700 -0.132 0.000 1.372 459 E HN 0.727 nan 8.360 nan 0.000 0.423 460 N N 0.700 119.269 118.700 -0.218 0.000 2.149 460 N HA -0.182 4.556 4.740 -0.004 0.000 0.188 460 N C 1.824 177.226 175.510 -0.180 0.000 1.019 460 N CA 1.548 54.502 53.050 -0.160 0.000 0.857 460 N CB -0.163 38.259 38.487 -0.109 0.000 0.997 460 N HN 0.304 nan 8.380 nan 0.000 0.426 461 A N 1.422 124.051 122.820 -0.319 0.000 1.897 461 A HA 0.260 4.578 4.320 -0.004 0.000 0.215 461 A C 2.585 180.006 177.584 -0.272 0.000 1.181 461 A CA 1.474 53.312 52.037 -0.331 0.000 0.620 461 A CB -0.835 17.735 19.000 -0.717 0.000 0.821 461 A HN 0.447 nan 8.150 nan 0.000 0.443 462 A N 0.294 122.856 122.820 -0.429 0.000 1.883 462 A HA -0.211 4.106 4.320 -0.004 0.000 0.217 462 A C 2.243 179.715 177.584 -0.187 0.000 1.186 462 A CA 1.688 53.431 52.037 -0.491 0.000 0.624 462 A CB -0.535 18.127 19.000 -0.563 0.000 0.822 462 A HN 0.561 nan 8.150 nan 0.000 0.444 463 R N -0.993 119.352 120.500 -0.257 0.000 2.091 463 R HA -0.099 4.239 4.340 -0.004 0.000 0.238 463 R C 2.310 178.195 176.300 -0.693 0.000 1.136 463 R CA 1.827 57.607 56.100 -0.533 0.000 0.959 463 R CB -0.956 28.990 30.300 -0.590 0.000 0.856 463 R HN 0.543 nan 8.270 nan 0.000 0.437 464 T N 1.860 116.251 114.554 -0.272 0.000 2.652 464 T HA -0.126 4.222 4.350 -0.004 0.000 0.267 464 T C 1.947 176.783 174.700 0.226 0.000 1.039 464 T CA 1.274 63.419 62.100 0.076 0.000 1.153 464 T CB -0.236 68.770 68.868 0.230 0.000 0.863 464 T HN 0.120 nan 8.240 nan 0.000 0.428 465 L N 0.543 121.889 121.223 0.204 0.000 2.046 465 L HA -0.112 4.226 4.340 -0.004 0.000 0.208 465 L C 2.749 179.855 176.870 0.394 0.000 1.077 465 L CA 1.498 56.538 54.840 0.334 0.000 0.747 465 L CB -0.531 41.731 42.059 0.339 0.000 0.896 465 L HN 0.323 nan 8.230 nan 0.000 0.432 466 E N -1.084 119.314 120.200 0.330 0.000 2.107 466 E HA -0.179 4.169 4.350 -0.004 0.000 0.191 466 E C 2.203 179.028 176.600 0.375 0.000 0.982 466 E CA 0.752 57.393 56.400 0.403 0.000 0.809 466 E CB -0.039 29.899 29.700 0.396 0.000 0.756 466 E HN 0.391 nan 8.360 nan 0.000 0.459 467 Y N 0.876 121.253 120.300 0.129 0.000 2.128 467 Y HA -0.217 4.330 4.550 -0.004 0.000 0.284 467 Y C 2.457 178.452 175.900 0.158 0.000 1.154 467 Y CA 0.784 58.867 58.100 -0.027 0.000 1.149 467 Y CB -1.273 36.882 38.460 -0.508 0.000 0.976 467 Y HN 0.042 nan 8.280 nan 0.000 0.505 468 A N -0.463 122.665 122.820 0.514 0.000 1.883 468 A HA -0.278 4.040 4.320 -0.004 0.000 0.217 468 A C 2.206 179.936 177.584 0.243 0.000 1.186 468 A CA 1.866 54.204 52.037 0.502 0.000 0.624 468 A CB -1.464 17.907 19.000 0.618 0.000 0.822 468 A HN 0.535 nan 8.150 nan 0.000 0.444 469 Y N 1.382 121.753 120.300 0.117 0.000 2.200 469 Y HA -0.180 4.368 4.550 -0.004 0.000 0.290 469 Y C 1.723 177.601 175.900 -0.035 0.000 1.137 469 Y CA 1.832 59.855 58.100 -0.129 0.000 1.163 469 Y CB -0.351 38.241 38.460 0.220 0.000 0.988 469 Y HN 0.357 nan 8.280 nan 0.000 0.518 470 D N 0.259 120.503 120.400 -0.260 0.000 2.182 470 D HA -0.181 4.457 4.640 -0.004 0.000 0.201 470 D C 1.605 177.751 176.300 -0.257 0.000 0.986 470 D CA 1.613 55.392 54.000 -0.368 0.000 0.847 470 D CB -0.305 40.400 40.800 -0.159 0.000 0.942 470 D HN 0.482 nan 8.370 nan 0.000 0.467 471 D N -0.608 119.764 120.400 -0.047 0.000 2.183 471 D HA -0.099 4.539 4.640 -0.004 0.000 0.203 471 D C 1.847 178.160 176.300 0.023 0.000 0.969 471 D CA 0.281 54.337 54.000 0.094 0.000 0.842 471 D CB -0.340 40.662 40.800 0.337 0.000 0.957 471 D HN 0.346 nan 8.370 nan 0.000 0.484 472 W N 1.336 122.461 121.300 -0.291 0.000 2.358 472 W HA -0.250 4.408 4.660 -0.004 0.000 0.303 472 W C 2.204 178.560 176.519 -0.272 0.000 1.208 472 W CA 1.133 58.256 57.345 -0.370 0.000 1.274 472 W CB -0.413 28.675 29.460 -0.620 0.000 1.138 472 W HN -0.060 nan 8.180 nan 0.000 0.515 473 C N 0.502 119.576 119.300 -0.377 0.000 2.413 473 C HA -0.222 4.236 4.460 -0.004 0.000 0.276 473 C C 2.696 177.337 174.990 -0.582 0.000 1.236 473 C CA 1.356 60.021 59.018 -0.588 0.000 1.735 473 C CB -1.512 25.913 27.740 -0.524 0.000 2.031 473 C HN 0.383 nan 8.230 nan 0.000 0.474 474 I N -0.160 120.104 120.570 -0.509 0.000 2.226 474 I HA -0.244 3.923 4.170 -0.004 0.000 0.245 474 I C 2.488 178.307 176.117 -0.497 0.000 1.100 474 I CA 1.888 62.831 61.300 -0.595 0.000 1.374 474 I CB -0.651 36.804 38.000 -0.907 0.000 1.057 474 I HN 0.433 nan 8.210 nan 0.000 0.413 475 Y N 2.044 122.057 120.300 -0.478 0.000 2.165 475 Y HA -0.269 4.278 4.550 -0.004 0.000 0.286 475 Y C 2.717 178.372 175.900 -0.408 0.000 1.155 475 Y CA 1.510 59.426 58.100 -0.307 0.000 1.164 475 Y CB -0.205 38.101 38.460 -0.257 0.000 0.978 475 Y HN -0.050 nan 8.280 nan 0.000 0.513 476 R N 0.171 120.210 120.500 -0.768 0.000 2.083 476 R HA -0.175 4.163 4.340 -0.004 0.000 0.237 476 R C 2.256 178.201 176.300 -0.592 0.000 1.137 476 R CA 1.608 57.209 56.100 -0.831 0.000 0.951 476 R CB -1.206 28.511 30.300 -0.972 0.000 0.851 476 R HN 0.458 nan 8.270 nan 0.000 0.434 477 L N 0.758 121.678 121.223 -0.504 0.000 2.056 477 L HA -0.009 4.328 4.340 -0.004 0.000 0.207 477 L C 2.271 178.918 176.870 -0.371 0.000 1.078 477 L CA 1.867 56.459 54.840 -0.414 0.000 0.749 477 L CB -0.718 41.103 42.059 -0.396 0.000 0.901 477 L HN 0.132 nan 8.230 nan 0.000 0.433 478 A N -0.393 122.240 122.820 -0.311 0.000 1.883 478 A HA -0.305 4.013 4.320 -0.004 0.000 0.217 478 A C 2.454 179.853 177.584 -0.308 0.000 1.186 478 A CA 2.190 54.069 52.037 -0.262 0.000 0.624 478 A CB -0.651 18.297 19.000 -0.086 0.000 0.822 478 A HN 0.506 nan 8.150 nan 0.000 0.444 479 K N -0.430 119.727 120.400 -0.405 0.000 2.026 479 K HA -0.216 4.102 4.320 -0.004 0.000 0.208 479 K C 2.067 178.508 176.600 -0.266 0.000 1.048 479 K CA 1.766 57.835 56.287 -0.364 0.000 0.929 479 K CB -0.159 31.999 32.500 -0.570 0.000 0.713 479 K HN 0.432 nan 8.250 nan 0.000 0.439 480 E N 0.333 120.365 120.200 -0.282 0.000 2.110 480 E HA -0.167 4.181 4.350 -0.004 0.000 0.193 480 E C 1.416 177.915 176.600 -0.168 0.000 0.988 480 E CA 1.110 57.397 56.400 -0.188 0.000 0.804 480 E CB -0.085 29.518 29.700 -0.161 0.000 0.745 480 E HN 0.221 nan 8.360 nan 0.000 0.458 481 L N 0.539 121.614 121.223 -0.247 0.000 2.599 481 L HA 0.178 4.515 4.340 -0.004 0.000 0.230 481 L C 0.263 177.000 176.870 -0.221 0.000 1.141 481 L CA 0.702 55.388 54.840 -0.257 0.000 0.877 481 L CB -0.606 41.204 42.059 -0.415 0.000 1.009 481 L HN 0.088 nan 8.230 nan 0.000 0.447 482 K N -0.230 120.057 120.400 -0.189 0.000 3.096 482 K HA -0.203 4.114 4.320 -0.004 0.000 0.266 482 K C 0.109 176.621 176.600 -0.147 0.000 1.043 482 K CA 0.301 56.505 56.287 -0.140 0.000 0.758 482 K CB -0.902 31.538 32.500 -0.100 0.000 1.260 482 K HN 0.106 nan 8.250 nan 0.000 0.481 483 R N -0.264 120.120 120.500 -0.193 0.000 2.905 483 R HA 0.101 4.439 4.340 -0.004 0.000 0.273 483 R C -1.995 174.261 176.300 -0.074 0.000 1.033 483 R CA -1.592 54.409 56.100 -0.166 0.000 1.182 483 R CB -0.659 29.524 30.300 -0.194 0.000 1.097 483 R HN 0.003 nan 8.270 nan 0.000 0.504 484 P HA 0.062 nan 4.420 nan 0.000 0.269 484 P C 0.283 177.593 177.300 0.018 0.000 1.209 484 P CA 0.060 63.156 63.100 -0.007 0.000 0.776 484 P CB 0.450 32.154 31.700 0.006 0.000 0.876 485 K N 2.442 122.854 120.400 0.019 0.000 2.152 485 K HA -0.217 4.101 4.320 -0.004 0.000 0.206 485 K C 1.725 178.359 176.600 0.057 0.000 1.048 485 K CA 1.661 57.971 56.287 0.039 0.000 0.933 485 K CB -0.106 32.414 32.500 0.033 0.000 0.721 485 K HN 0.536 nan 8.250 nan 0.000 0.447 486 K N 1.252 121.678 120.400 0.044 0.000 2.228 486 K HA -0.094 4.224 4.320 -0.004 0.000 0.202 486 K C 1.539 178.171 176.600 0.053 0.000 1.051 486 K CA 1.141 57.451 56.287 0.039 0.000 0.960 486 K CB 0.115 32.626 32.500 0.018 0.000 0.743 486 K HN 0.090 nan 8.250 nan 0.000 0.458 487 E N 1.141 121.394 120.200 0.088 0.000 2.028 487 E HA -0.138 4.210 4.350 -0.004 0.000 0.191 487 E C 2.056 178.819 176.600 0.271 0.000 0.988 487 E CA 1.551 58.055 56.400 0.173 0.000 0.799 487 E CB -0.166 29.668 29.700 0.224 0.000 0.755 487 E HN 0.327 nan 8.360 nan 0.000 0.447 488 I N 0.959 121.657 120.570 0.213 0.000 2.145 488 I HA -0.336 3.831 4.170 -0.004 0.000 0.244 488 I C 2.477 178.790 176.117 0.326 0.000 1.075 488 I CA 1.044 62.498 61.300 0.257 0.000 1.332 488 I CB -0.328 37.757 38.000 0.142 0.000 1.033 488 I HN 0.021 nan 8.210 nan 0.000 0.410 489 S N 0.606 116.426 115.700 0.199 0.000 2.382 489 S HA -0.160 4.308 4.470 -0.004 0.000 0.228 489 S C 1.881 176.537 174.600 0.093 0.000 1.027 489 S CA 1.145 59.436 58.200 0.153 0.000 0.991 489 S CB -0.377 62.874 63.200 0.085 0.000 0.823 489 S HN 0.291 nan 8.310 nan 0.000 0.469 490 L N 0.875 122.101 121.223 0.005 0.000 2.012 490 L HA -0.039 4.299 4.340 -0.004 0.000 0.210 490 L C 1.739 178.482 176.870 -0.213 0.000 1.073 490 L CA 1.901 56.631 54.840 -0.185 0.000 0.748 490 L CB -0.768 41.047 42.059 -0.405 0.000 0.891 490 L HN 0.236 nan 8.230 nan 0.000 0.431 491 F N -0.554 119.465 119.950 0.116 0.000 2.293 491 F HA 0.047 4.572 4.527 -0.004 0.000 0.297 491 F C 2.453 178.317 175.800 0.107 0.000 1.089 491 F CA 0.848 58.916 58.000 0.114 0.000 1.377 491 F CB -1.208 37.852 39.000 0.101 0.000 1.051 491 F HN 0.156 nan 8.300 nan 0.000 0.511 492 A N 0.345 123.332 122.820 0.278 0.000 1.908 492 A HA -0.256 4.062 4.320 -0.004 0.000 0.218 492 A C 2.367 180.091 177.584 0.234 0.000 1.181 492 A CA 2.032 54.155 52.037 0.144 0.000 0.627 492 A CB -0.703 18.415 19.000 0.197 0.000 0.818 492 A HN 0.331 nan 8.150 nan 0.000 0.445 493 K N -0.365 120.122 120.400 0.145 0.000 2.031 493 K HA -0.112 4.206 4.320 -0.004 0.000 0.205 493 K C 2.182 178.843 176.600 0.102 0.000 1.049 493 K CA 1.215 57.559 56.287 0.095 0.000 0.939 493 K CB -0.265 32.248 32.500 0.022 0.000 0.717 493 K HN 0.441 nan 8.250 nan 0.000 0.438 494 R N 0.186 120.739 120.500 0.090 0.000 2.152 494 R HA -0.075 4.263 4.340 -0.004 0.000 0.232 494 R C 2.298 178.758 176.300 0.266 0.000 1.117 494 R CA 1.038 57.216 56.100 0.129 0.000 0.981 494 R CB -0.345 30.053 30.300 0.162 0.000 0.870 494 R HN 0.271 nan 8.270 nan 0.000 0.451 495 A N 0.621 123.617 122.820 0.293 0.000 2.070 495 A HA -0.106 4.211 4.320 -0.004 0.000 0.220 495 A C 1.747 179.692 177.584 0.602 0.000 1.159 495 A CA 1.130 53.395 52.037 0.380 0.000 0.656 495 A CB -0.094 19.037 19.000 0.218 0.000 0.800 495 A HN 0.109 nan 8.150 nan 0.000 0.453 496 M N 0.049 119.882 119.600 0.388 0.000 2.495 496 M HA 0.111 4.588 4.480 -0.004 0.000 0.237 496 M C 0.752 177.003 176.300 -0.082 0.000 1.131 496 M CA 0.080 55.466 55.300 0.144 0.000 1.032 496 M CB -1.085 31.538 32.600 0.039 0.000 1.513 496 M HN 0.278 nan 8.290 nan 0.000 0.488 497 N N 0.755 119.534 118.700 0.131 0.000 2.430 497 N HA -0.181 4.557 4.740 -0.004 0.000 0.186 497 N C 1.504 177.100 175.510 0.143 0.000 1.032 497 N CA 1.007 54.115 53.050 0.098 0.000 0.893 497 N CB -0.417 38.147 38.487 0.128 0.000 0.957 497 N HN 0.619 nan 8.380 nan 0.000 0.442 498 Y N 0.485 120.928 120.300 0.239 0.000 2.333 498 Y HA -0.022 4.526 4.550 -0.004 0.000 0.290 498 Y C 1.764 177.749 175.900 0.143 0.000 1.144 498 Y CA 0.966 59.188 58.100 0.204 0.000 1.228 498 Y CB -0.564 38.016 38.460 0.200 0.000 0.985 498 Y HN -0.119 nan 8.280 nan 0.000 0.542 499 K N 0.521 120.623 120.400 -0.497 0.000 2.211 499 K HA -0.144 4.174 4.320 -0.004 0.000 0.204 499 K C 1.310 177.895 176.600 -0.024 0.000 1.047 499 K CA 1.257 57.374 56.287 -0.284 0.000 0.935 499 K CB -0.258 32.005 32.500 -0.395 0.000 0.728 499 K HN 0.413 nan 8.250 nan 0.000 0.452 500 N N 0.696 119.382 118.700 -0.024 0.000 2.512 500 N HA -0.051 4.686 4.740 -0.004 0.000 0.183 500 N C 1.159 176.611 175.510 -0.096 0.000 1.073 500 N CA 0.821 53.839 53.050 -0.053 0.000 0.911 500 N CB 0.211 38.694 38.487 -0.007 0.000 0.964 500 N HN 0.221 nan 8.380 nan 0.000 0.447 501 L N -0.728 120.534 121.223 0.064 0.000 2.693 501 L HA 0.265 4.603 4.340 -0.004 0.000 0.235 501 L C 0.045 177.039 176.870 0.206 0.000 1.127 501 L CA -0.362 54.560 54.840 0.137 0.000 0.914 501 L CB -0.003 42.112 42.059 0.093 0.000 1.193 501 L HN -0.065 nan 8.230 nan 0.000 0.502 502 F N 2.223 122.210 119.950 0.062 0.000 2.472 502 F HA 0.146 4.670 4.527 -0.004 0.000 0.364 502 F C 0.483 176.167 175.800 -0.193 0.000 1.090 502 F CA -0.741 57.219 58.000 -0.068 0.000 1.188 502 F CB 0.484 39.464 39.000 -0.034 0.000 1.105 502 F HN -0.081 nan 8.300 nan 0.000 0.536 503 D N 6.013 125.689 120.400 -1.206 0.000 2.428 503 D HA 0.156 4.794 4.640 -0.004 0.000 0.221 503 D C 0.808 176.459 176.300 -1.081 0.000 1.123 503 D CA -0.202 53.057 54.000 -1.235 0.000 0.869 503 D CB 0.911 40.832 40.800 -1.465 0.000 1.032 503 D HN 0.616 nan 8.370 nan 0.000 0.506 504 K N 2.212 122.269 120.400 -0.572 0.000 2.160 504 K HA -0.222 4.096 4.320 -0.004 0.000 0.206 504 K C 1.507 177.960 176.600 -0.244 0.000 1.047 504 K CA 1.194 57.342 56.287 -0.231 0.000 0.930 504 K CB 0.222 32.719 32.500 -0.005 0.000 0.720 504 K HN 0.562 nan 8.250 nan 0.000 0.450 505 E N 0.431 120.454 120.200 -0.295 0.000 2.051 505 E HA -0.167 4.180 4.350 -0.004 0.000 0.192 505 E C 1.752 178.227 176.600 -0.208 0.000 0.991 505 E CA 1.736 58.012 56.400 -0.205 0.000 0.799 505 E CB 0.129 29.712 29.700 -0.195 0.000 0.748 505 E HN 0.323 nan 8.360 nan 0.000 0.449 506 S N -0.644 114.863 115.700 -0.322 0.000 2.503 506 S HA 0.103 4.570 4.470 -0.004 0.000 0.217 506 S C 0.622 175.021 174.600 -0.335 0.000 0.999 506 S CA 0.290 58.337 58.200 -0.256 0.000 0.914 506 S CB 0.146 63.244 63.200 -0.170 0.000 0.782 506 S HN 0.274 nan 8.310 nan 0.000 0.520 507 K N 0.282 120.386 120.400 -0.494 0.000 3.230 507 K HA -0.109 4.208 4.320 -0.004 0.000 0.285 507 K C -0.893 175.378 176.600 -0.548 0.000 1.196 507 K CA 0.577 56.612 56.287 -0.420 0.000 0.838 507 K CB -2.098 30.370 32.500 -0.053 0.000 1.262 507 K HN 0.463 nan 8.250 nan 0.000 0.492 508 L N 0.170 120.911 121.223 -0.802 0.000 2.350 508 L HA 0.525 4.862 4.340 -0.004 0.000 0.260 508 L C 0.342 176.840 176.870 -0.620 0.000 1.015 508 L CA -1.405 53.034 54.840 -0.669 0.000 0.821 508 L CB 1.400 43.074 42.059 -0.642 0.000 1.370 508 L HN -0.088 nan 8.230 nan 0.000 0.416 509 M N 1.869 121.260 119.600 -0.349 0.000 2.238 509 M HA 0.316 4.793 4.480 -0.004 0.000 0.347 509 M C -0.321 175.907 176.300 -0.121 0.000 1.173 509 M CA 0.468 55.687 55.300 -0.135 0.000 1.147 509 M CB 0.513 33.170 32.600 0.095 0.000 1.547 509 M HN 0.498 nan 8.290 nan 0.000 0.455 510 R N 0.310 120.690 120.500 -0.200 0.000 2.584 510 R HA 0.539 4.877 4.340 -0.004 0.000 0.276 510 R C -0.308 175.908 176.300 -0.140 0.000 1.046 510 R CA -0.466 55.400 56.100 -0.391 0.000 0.906 510 R CB 1.595 31.203 30.300 -1.155 0.000 1.215 510 R HN 0.909 nan 8.270 nan 0.000 0.449 511 G N 2.655 111.321 108.800 -0.223 0.000 2.414 511 G HA2 0.103 4.060 3.960 -0.004 0.000 0.236 511 G HA3 0.103 4.060 3.960 -0.004 0.000 0.236 511 G C -0.705 174.089 174.900 -0.177 0.000 1.293 511 G CA -0.167 44.805 45.100 -0.213 0.000 0.869 511 G HN 0.547 nan 8.290 nan 0.000 0.556 512 R N 1.821 122.233 120.500 -0.147 0.000 2.513 512 R HA 0.189 4.526 4.340 -0.004 0.000 0.301 512 R C -0.312 175.945 176.300 -0.072 0.000 0.968 512 R CA -0.859 55.042 56.100 -0.331 0.000 0.872 512 R CB 0.782 30.554 30.300 -0.880 0.000 1.177 512 R HN 0.571 nan 8.270 nan 0.000 0.444 513 N N 2.042 120.697 118.700 -0.075 0.000 2.415 513 N HA -0.092 4.645 4.740 -0.004 0.000 0.248 513 N C 0.727 176.291 175.510 0.090 0.000 1.271 513 N CA 0.135 53.207 53.050 0.037 0.000 0.913 513 N CB 0.850 39.340 38.487 0.004 0.000 1.129 513 N HN 0.722 nan 8.380 nan 0.000 0.444 514 E N 0.556 120.780 120.200 0.040 0.000 2.118 514 E HA -0.245 4.102 4.350 -0.004 0.000 0.195 514 E C 0.410 177.029 176.600 0.031 0.000 0.992 514 E CA 1.399 57.799 56.400 -0.001 0.000 0.804 514 E CB 0.071 29.723 29.700 -0.080 0.000 0.741 514 E HN 0.607 nan 8.360 nan 0.000 0.458 515 D N -1.416 118.992 120.400 0.014 0.000 2.348 515 D HA -0.031 4.606 4.640 -0.004 0.000 0.216 515 D C 1.342 177.638 176.300 -0.007 0.000 0.970 515 D CA 1.128 55.130 54.000 0.002 0.000 0.889 515 D CB 0.186 40.980 40.800 -0.009 0.000 0.912 515 D HN 0.363 nan 8.370 nan 0.000 0.524 516 G N -0.510 108.284 108.800 -0.010 0.000 2.218 516 G HA2 -0.219 3.739 3.960 -0.004 0.000 0.216 516 G HA3 -0.219 3.739 3.960 -0.004 0.000 0.216 516 G C 0.451 175.197 174.900 -0.257 0.000 0.994 516 G CA 0.185 45.229 45.100 -0.093 0.000 0.637 516 G HN 0.750 nan 8.290 nan 0.000 0.505 517 T N -0.171 114.273 114.554 -0.182 0.000 2.907 517 T HA 0.630 4.978 4.350 -0.004 0.000 0.298 517 T C 0.283 174.827 174.700 -0.261 0.000 1.017 517 T CA -0.527 61.463 62.100 -0.183 0.000 1.118 517 T CB 1.477 70.300 68.868 -0.076 0.000 0.948 517 T HN 0.231 nan 8.240 nan 0.000 0.531 518 F N 2.467 122.304 119.950 -0.189 0.000 2.471 518 F HA 0.277 4.801 4.527 -0.004 0.000 0.353 518 F C 1.163 176.813 175.800 -0.251 0.000 1.113 518 F CA -0.442 57.398 58.000 -0.268 0.000 1.262 518 F CB 0.649 39.456 39.000 -0.323 0.000 1.146 518 F HN 0.678 nan 8.300 nan 0.000 0.578 519 Q N 1.219 120.945 119.800 -0.123 0.000 2.364 519 Q HA 0.458 4.795 4.340 -0.004 0.000 0.267 519 Q C -0.965 174.950 176.000 -0.142 0.000 0.999 519 Q CA -0.144 55.510 55.803 -0.247 0.000 0.886 519 Q CB 0.957 29.223 28.738 -0.788 0.000 1.243 519 Q HN 0.475 nan 8.270 nan 0.000 0.415 520 S N 2.277 117.938 115.700 -0.065 0.000 2.549 520 S HA 0.658 5.126 4.470 -0.004 0.000 0.280 520 S C -2.429 172.183 174.600 0.020 0.000 1.109 520 S CA -1.204 56.994 58.200 -0.003 0.000 0.905 520 S CB 1.263 64.467 63.200 0.007 0.000 1.081 520 S HN 0.808 nan 8.310 nan 0.000 0.477 521 P HA 0.341 nan 4.420 nan 0.000 0.275 521 P C -1.164 176.180 177.300 0.074 0.000 1.227 521 P CA -0.369 62.756 63.100 0.041 0.000 0.781 521 P CB 0.278 31.993 31.700 0.026 0.000 0.906 522 F N 2.110 122.004 119.950 -0.094 0.000 2.420 522 F HA 0.368 4.892 4.527 -0.004 0.000 0.352 522 F C 0.136 175.892 175.800 -0.073 0.000 1.108 522 F CA -0.818 57.109 58.000 -0.121 0.000 1.162 522 F CB 0.933 39.827 39.000 -0.176 0.000 1.118 522 F HN 0.261 nan 8.300 nan 0.000 0.510 523 S N 8.411 123.809 115.700 -0.503 0.000 2.653 523 S HA 0.442 4.909 4.470 -0.004 0.000 0.272 523 S C -1.966 172.251 174.600 -0.638 0.000 1.221 523 S CA -1.408 56.496 58.200 -0.494 0.000 1.149 523 S CB 0.890 64.006 63.200 -0.141 0.000 1.029 523 S HN 0.487 nan 8.310 nan 0.000 0.481 524 P HA 0.025 nan 4.420 nan 0.000 0.222 524 P C 0.822 178.036 177.300 -0.144 0.000 1.147 524 P CA 0.787 63.516 63.100 -0.620 0.000 0.790 524 P CB 0.090 31.510 31.700 -0.466 0.000 0.780 525 L N -1.412 119.796 121.223 -0.025 0.000 2.607 525 L HA 0.161 4.499 4.340 -0.004 0.000 0.228 525 L C 1.235 178.263 176.870 0.264 0.000 1.123 525 L CA -0.167 54.758 54.840 0.140 0.000 0.890 525 L CB -0.234 41.909 42.059 0.139 0.000 1.103 525 L HN -0.117 nan 8.230 nan 0.000 0.468 526 K N 0.600 121.104 120.400 0.172 0.000 2.339 526 K HA 0.057 4.374 4.320 -0.004 0.000 0.286 526 K C -1.018 175.811 176.600 0.381 0.000 1.050 526 K CA -0.537 55.925 56.287 0.291 0.000 0.956 526 K CB 0.528 33.140 32.500 0.186 0.000 0.990 526 K HN -0.108 nan 8.250 nan 0.000 0.475 527 W N 3.310 124.756 121.300 0.243 0.000 2.313 527 W HA 0.372 5.030 4.660 -0.004 0.000 0.328 527 W C 0.984 177.625 176.519 0.202 0.000 1.197 527 W CA 1.161 58.693 57.345 0.311 0.000 1.235 527 W CB 0.782 30.503 29.460 0.435 0.000 1.158 527 W HN 1.002 nan 8.180 nan 0.000 0.578 528 G N 1.880 110.878 108.800 0.330 0.000 2.562 528 G HA2 -0.253 3.704 3.960 -0.004 0.000 0.250 528 G HA3 -0.253 3.704 3.960 -0.004 0.000 0.250 528 G C 0.405 174.971 174.900 -0.556 0.000 1.269 528 G CA 0.897 45.868 45.100 -0.216 0.000 0.919 528 G HN 0.793 nan 8.290 nan 0.000 0.574 529 D N -2.651 116.814 120.400 -1.558 0.000 4.438 529 D HA -0.180 4.458 4.640 -0.004 0.000 0.158 529 D C 2.133 178.139 176.300 -0.489 0.000 0.686 529 D CA 4.135 57.577 54.000 -0.930 0.000 1.183 529 D CB -1.554 39.052 40.800 -0.324 0.000 0.623 529 D HN 1.866 nan 8.370 nan 0.000 0.521 530 A N -0.480 122.168 122.820 -0.287 0.000 2.014 530 A HA 0.256 4.574 4.320 -0.004 0.000 0.218 530 A C 1.126 178.261 177.584 -0.748 0.000 1.163 530 A CA 1.283 53.041 52.037 -0.466 0.000 0.652 530 A CB -0.282 18.395 19.000 -0.539 0.000 0.808 530 A HN 0.245 nan 8.150 nan 0.000 0.449 531 F N -1.588 118.256 119.950 -0.177 0.000 2.557 531 F HA 0.541 5.066 4.527 -0.004 0.000 0.336 531 F C 0.382 176.119 175.800 -0.106 0.000 1.058 531 F CA -0.697 57.176 58.000 -0.213 0.000 0.988 531 F CB 1.379 40.319 39.000 -0.101 0.000 1.275 531 F HN -0.320 nan 8.300 nan 0.000 0.488 532 T N 1.034 115.741 114.554 0.255 0.000 2.807 532 T HA 0.262 4.609 4.350 -0.004 0.000 0.279 532 T C -0.550 174.430 174.700 0.467 0.000 0.993 532 T CA -0.635 61.646 62.100 0.301 0.000 0.970 532 T CB 1.066 70.093 68.868 0.266 0.000 0.950 532 T HN 0.547 nan 8.240 nan 0.000 0.441 533 E N 0.786 121.190 120.200 0.340 0.000 2.440 533 E HA -0.197 4.151 4.350 -0.004 0.000 0.246 533 E C 0.343 177.022 176.600 0.133 0.000 1.165 533 E CA 1.221 57.805 56.400 0.307 0.000 0.726 533 E CB -1.455 28.415 29.700 0.283 0.000 1.271 533 E HN 1.128 nan 8.360 nan 0.000 0.397 534 G N -0.234 108.553 108.800 -0.022 0.000 2.324 534 G HA2 0.300 4.258 3.960 -0.004 0.000 0.293 534 G HA3 0.300 4.258 3.960 -0.004 0.000 0.293 534 G C -0.825 173.822 174.900 -0.422 0.000 1.297 534 G CA -0.228 44.501 45.100 -0.619 0.000 0.853 534 G HN 0.167 nan 8.290 nan 0.000 0.535 535 N N -1.593 116.737 118.700 -0.618 0.000 2.879 535 N HA 0.633 5.371 4.740 -0.004 0.000 0.329 535 N C 1.337 176.341 175.510 -0.843 0.000 1.337 535 N CA 0.304 53.021 53.050 -0.555 0.000 0.844 535 N CB 1.032 39.226 38.487 -0.489 0.000 1.236 535 N HN 0.614 nan 8.380 nan 0.000 0.601 536 S N -1.485 113.656 115.700 -0.931 0.000 2.383 536 S HA -0.069 4.399 4.470 -0.004 0.000 0.227 536 S C 1.074 175.220 174.600 -0.757 0.000 1.026 536 S CA 0.833 58.360 58.200 -1.122 0.000 0.981 536 S CB -0.621 62.258 63.200 -0.534 0.000 0.818 536 S HN 0.548 nan 8.310 nan 0.000 0.472 537 W N 1.112 122.063 121.300 -0.581 0.000 2.350 537 W HA -0.072 4.586 4.660 -0.004 0.000 0.289 537 W C 2.258 178.597 176.519 -0.300 0.000 1.215 537 W CA 1.422 58.503 57.345 -0.439 0.000 1.236 537 W CB -0.400 28.823 29.460 -0.395 0.000 1.130 537 W HN 0.583 nan 8.180 nan 0.000 0.541 538 H N -3.661 115.362 119.070 -0.079 0.000 2.372 538 H HA -0.079 4.474 4.556 -0.004 0.000 0.301 538 H C 1.425 176.683 175.328 -0.116 0.000 1.065 538 H CA 1.354 57.346 56.048 -0.093 0.000 1.364 538 H CB -0.384 29.217 29.762 -0.269 0.000 1.406 538 H HN 0.117 nan 8.280 nan 0.000 0.521 539 Y N 0.496 120.661 120.300 -0.224 0.000 2.517 539 Y HA -0.064 4.484 4.550 -0.004 0.000 0.281 539 Y C 2.182 177.945 175.900 -0.229 0.000 1.125 539 Y CA 0.422 58.434 58.100 -0.146 0.000 1.283 539 Y CB 0.469 38.866 38.460 -0.105 0.000 1.042 539 Y HN 0.105 nan 8.280 nan 0.000 0.547 540 T N -0.735 113.581 114.554 -0.396 0.000 2.849 540 T HA -0.235 4.113 4.350 -0.004 0.000 0.270 540 T C 0.903 175.281 174.700 -0.535 0.000 1.066 540 T CA 1.632 63.400 62.100 -0.553 0.000 1.130 540 T CB -0.430 67.878 68.868 -0.934 0.000 0.864 540 T HN 0.501 nan 8.240 nan 0.000 0.481 541 W N 1.360 122.613 121.300 -0.079 0.000 3.180 541 W HA 0.222 4.880 4.660 -0.004 0.000 0.254 541 W C 1.130 177.558 176.519 -0.152 0.000 1.318 541 W CA -0.506 56.773 57.345 -0.110 0.000 1.608 541 W CB -0.257 29.085 29.460 -0.196 0.000 1.124 541 W HN -0.047 nan 8.180 nan 0.000 0.694 542 S N 1.300 116.954 115.700 -0.077 0.000 4.175 542 S HA 0.197 4.665 4.470 -0.004 0.000 0.193 542 S C 0.219 174.494 174.600 -0.541 0.000 1.373 542 S CA 0.062 57.972 58.200 -0.484 0.000 0.908 542 S CB -0.402 62.789 63.200 -0.015 0.000 1.547 542 S HN -0.047 nan 8.310 nan 0.000 0.440 543 V N 2.713 122.233 119.914 -0.658 0.000 2.562 543 V HA 0.198 4.315 4.120 -0.004 0.000 0.274 543 V C 0.425 176.168 176.094 -0.585 0.000 1.075 543 V CA -0.468 61.475 62.300 -0.595 0.000 1.204 543 V CB -0.788 30.583 31.823 -0.754 0.000 1.478 543 V HN 0.639 nan 8.190 nan 0.000 0.622 544 F N 0.491 120.273 119.950 -0.281 0.000 2.154 544 F HA -0.216 4.309 4.527 -0.004 0.000 0.301 544 F C 2.514 178.128 175.800 -0.311 0.000 1.087 544 F CA 2.073 59.849 58.000 -0.373 0.000 1.274 544 F CB -0.558 38.056 39.000 -0.645 0.000 1.009 544 F HN 0.619 nan 8.300 nan 0.000 0.485 545 H N -2.169 116.765 119.070 -0.226 0.000 2.551 545 H HA 0.145 4.698 4.556 -0.004 0.000 0.266 545 H C -0.139 175.034 175.328 -0.259 0.000 0.964 545 H CA 0.965 56.719 56.048 -0.489 0.000 1.180 545 H CB -0.164 28.967 29.762 -1.050 0.000 1.408 545 H HN 0.211 nan 8.280 nan 0.000 0.563 546 D N 0.542 120.504 120.400 -0.731 0.000 2.849 546 D HA 0.226 4.863 4.640 -0.004 0.000 0.314 546 D C -2.055 173.959 176.300 -0.477 0.000 1.210 546 D CA -1.933 51.764 54.000 -0.505 0.000 0.756 546 D CB 1.009 41.542 40.800 -0.444 0.000 1.222 546 D HN 0.013 nan 8.370 nan 0.000 0.521 547 P HA -0.155 nan 4.420 nan 0.000 0.217 547 P C 1.399 178.474 177.300 -0.376 0.000 1.150 547 P CA 0.950 63.764 63.100 -0.478 0.000 0.832 547 P CB 0.470 31.655 31.700 -0.857 0.000 0.787 548 Q N 0.182 119.834 119.800 -0.247 0.000 2.084 548 Q HA -0.104 4.233 4.340 -0.004 0.000 0.202 548 Q C 2.183 178.071 176.000 -0.187 0.000 0.978 548 Q CA 2.321 58.004 55.803 -0.200 0.000 0.844 548 Q CB -1.591 27.071 28.738 -0.126 0.000 0.898 548 Q HN 0.181 nan 8.270 nan 0.000 0.426 549 G N 0.471 109.180 108.800 -0.151 0.000 2.442 549 G HA2 -0.244 3.714 3.960 -0.004 0.000 0.219 549 G HA3 -0.244 3.714 3.960 -0.004 0.000 0.219 549 G C 1.305 176.162 174.900 -0.071 0.000 1.141 549 G CA 0.937 46.006 45.100 -0.051 0.000 0.763 549 G HN 0.415 nan 8.290 nan 0.000 0.554 550 L N 0.699 121.830 121.223 -0.154 0.000 2.056 550 L HA 0.152 4.489 4.340 -0.004 0.000 0.207 550 L C 2.662 179.465 176.870 -0.111 0.000 1.078 550 L CA 1.155 55.913 54.840 -0.137 0.000 0.749 550 L CB -0.464 41.542 42.059 -0.087 0.000 0.901 550 L HN 0.260 nan 8.230 nan 0.000 0.433 551 I N -0.365 120.061 120.570 -0.239 0.000 2.163 551 I HA -0.313 3.855 4.170 -0.004 0.000 0.243 551 I C 2.037 178.095 176.117 -0.098 0.000 1.085 551 I CA 1.442 62.596 61.300 -0.244 0.000 1.347 551 I CB -0.479 37.227 38.000 -0.489 0.000 1.044 551 I HN 0.275 nan 8.210 nan 0.000 0.408 552 D N 0.791 121.115 120.400 -0.128 0.000 2.104 552 D HA -0.160 4.478 4.640 -0.004 0.000 0.194 552 D C 2.335 178.557 176.300 -0.130 0.000 0.994 552 D CA 1.222 55.163 54.000 -0.098 0.000 0.830 552 D CB -0.400 40.343 40.800 -0.095 0.000 0.959 552 D HN 0.279 nan 8.370 nan 0.000 0.452 553 L N 0.033 121.107 121.223 -0.248 0.000 2.081 553 L HA -0.155 4.183 4.340 -0.004 0.000 0.212 553 L C 2.392 179.032 176.870 -0.383 0.000 1.080 553 L CA 0.989 55.522 54.840 -0.512 0.000 0.754 553 L CB -0.305 41.100 42.059 -1.090 0.000 0.893 553 L HN 0.059 nan 8.230 nan 0.000 0.433 554 M N -1.082 118.421 119.600 -0.162 0.000 2.618 554 M HA 0.083 4.561 4.480 -0.004 0.000 0.240 554 M C 1.165 177.539 176.300 0.123 0.000 1.123 554 M CA 0.855 56.230 55.300 0.125 0.000 1.060 554 M CB 0.139 32.882 32.600 0.240 0.000 1.535 554 M HN 0.443 nan 8.290 nan 0.000 0.507 555 G N 1.030 109.865 108.800 0.057 0.000 2.140 555 G HA2 0.012 3.969 3.960 -0.004 0.000 0.211 555 G HA3 0.012 3.969 3.960 -0.004 0.000 0.211 555 G C 0.279 175.218 174.900 0.065 0.000 1.013 555 G CA -0.112 45.023 45.100 0.058 0.000 0.705 555 G HN 0.916 nan 8.290 nan 0.000 0.508 556 G N -0.858 107.979 108.800 0.062 0.000 2.497 556 G HA2 0.364 4.321 3.960 -0.004 0.000 0.686 556 G HA3 0.364 4.321 3.960 -0.004 0.000 0.686 556 G C 0.671 175.638 174.900 0.112 0.000 1.288 556 G CA 0.397 45.532 45.100 0.059 0.000 0.899 556 G HN 1.374 nan 8.290 nan 0.000 0.608 557 K N 0.001 120.452 120.400 0.086 0.000 2.097 557 K HA -0.084 4.234 4.320 -0.004 0.000 0.206 557 K C 1.858 178.589 176.600 0.219 0.000 1.049 557 K CA 1.862 58.228 56.287 0.133 0.000 0.933 557 K CB 0.042 32.587 32.500 0.075 0.000 0.717 557 K HN 0.591 nan 8.250 nan 0.000 0.442 558 E N 1.074 121.374 120.200 0.166 0.000 2.051 558 E HA -0.169 4.179 4.350 -0.004 0.000 0.192 558 E C 2.114 178.825 176.600 0.186 0.000 0.991 558 E CA 1.455 57.954 56.400 0.166 0.000 0.799 558 E CB -0.045 29.730 29.700 0.126 0.000 0.748 558 E HN 0.394 nan 8.360 nan 0.000 0.449 559 M N -0.362 119.348 119.600 0.184 0.000 2.200 559 M HA -0.046 4.432 4.480 -0.004 0.000 0.265 559 M C 2.077 178.518 176.300 0.235 0.000 1.066 559 M CA 0.860 56.270 55.300 0.183 0.000 1.127 559 M CB -0.229 32.465 32.600 0.155 0.000 1.379 559 M HN 0.176 nan 8.290 nan 0.000 0.420 560 F N 0.984 121.007 119.950 0.122 0.000 2.043 560 F HA -0.252 4.272 4.527 -0.004 0.000 0.297 560 F C 2.136 178.032 175.800 0.161 0.000 1.121 560 F CA 1.779 59.869 58.000 0.150 0.000 1.199 560 F CB -0.294 38.770 39.000 0.107 0.000 0.968 560 F HN -0.222 nan 8.300 nan 0.000 0.478 561 V N -0.175 119.916 119.914 0.295 0.000 2.392 561 V HA -0.353 3.765 4.120 -0.004 0.000 0.249 561 V C 2.283 178.473 176.094 0.161 0.000 1.059 561 V CA 2.398 64.828 62.300 0.215 0.000 1.051 561 V CB -1.124 30.873 31.823 0.290 0.000 0.658 561 V HN 0.480 nan 8.190 nan 0.000 0.455 562 T N -0.391 114.261 114.554 0.163 0.000 2.746 562 T HA -0.171 4.176 4.350 -0.004 0.000 0.267 562 T C 1.965 176.757 174.700 0.153 0.000 1.039 562 T CA 1.488 63.679 62.100 0.152 0.000 1.142 562 T CB -0.256 68.698 68.868 0.143 0.000 0.866 562 T HN 0.207 nan 8.240 nan 0.000 0.444 563 M N 0.562 120.256 119.600 0.158 0.000 2.086 563 M HA 0.015 4.493 4.480 -0.004 0.000 0.261 563 M C 2.400 178.859 176.300 0.265 0.000 1.067 563 M CA 1.563 57.021 55.300 0.264 0.000 1.116 563 M CB -1.049 31.696 32.600 0.242 0.000 1.348 563 M HN 0.315 nan 8.290 nan 0.000 0.407 564 M N -0.075 119.523 119.600 -0.002 0.000 2.086 564 M HA -0.233 4.245 4.480 -0.004 0.000 0.261 564 M C 1.583 177.867 176.300 -0.027 0.000 1.067 564 M CA 1.591 56.711 55.300 -0.301 0.000 1.116 564 M CB -0.775 31.360 32.600 -0.775 0.000 1.348 564 M HN 0.175 nan 8.290 nan 0.000 0.407 565 D N 0.318 120.810 120.400 0.154 0.000 2.149 565 D HA -0.128 4.510 4.640 -0.004 0.000 0.198 565 D C 2.110 178.498 176.300 0.147 0.000 0.990 565 D CA 1.858 56.013 54.000 0.258 0.000 0.839 565 D CB -0.307 40.634 40.800 0.236 0.000 0.948 565 D HN 0.404 nan 8.370 nan 0.000 0.460 566 S N -0.185 115.548 115.700 0.056 0.000 2.447 566 S HA -0.083 4.384 4.470 -0.004 0.000 0.233 566 S C 2.157 176.595 174.600 -0.270 0.000 1.006 566 S CA 0.547 58.705 58.200 -0.070 0.000 0.957 566 S CB -0.427 62.734 63.200 -0.066 0.000 0.773 566 S HN 0.079 nan 8.310 nan 0.000 0.507 567 V N 0.935 120.669 119.914 -0.299 0.000 2.332 567 V HA -0.144 3.974 4.120 -0.004 0.000 0.248 567 V C 2.159 177.936 176.094 -0.529 0.000 1.055 567 V CA 2.009 64.013 62.300 -0.493 0.000 1.038 567 V CB -1.064 30.451 31.823 -0.512 0.000 0.651 567 V HN 0.541 nan 8.190 nan 0.000 0.450 568 F N 0.315 120.092 119.950 -0.288 0.000 2.416 568 F HA 0.166 4.690 4.527 -0.004 0.000 0.296 568 F C 2.288 178.012 175.800 -0.127 0.000 1.099 568 F CA 0.978 58.784 58.000 -0.323 0.000 1.427 568 F CB -0.648 37.898 39.000 -0.757 0.000 1.079 568 F HN 0.084 nan 8.300 nan 0.000 0.536 569 A N 0.153 123.010 122.820 0.062 0.000 2.081 569 A HA 0.198 4.516 4.320 -0.004 0.000 0.214 569 A C 1.027 178.608 177.584 -0.005 0.000 1.158 569 A CA 0.558 52.636 52.037 0.069 0.000 0.724 569 A CB -0.966 18.080 19.000 0.076 0.000 0.826 569 A HN 0.076 nan 8.150 nan 0.000 0.463 570 V N -3.142 116.714 119.914 -0.098 0.000 3.083 570 V HA 0.474 4.592 4.120 -0.004 0.000 0.306 570 V C -2.813 173.238 176.094 -0.073 0.000 1.077 570 V CA -2.553 59.672 62.300 -0.125 0.000 1.073 570 V CB 0.190 31.852 31.823 -0.269 0.000 1.081 570 V HN 0.100 nan 8.190 nan 0.000 0.474 571 P HA 0.239 nan 4.420 nan 0.000 0.269 571 P C -2.515 174.782 177.300 -0.006 0.000 1.215 571 P CA -1.277 61.814 63.100 -0.014 0.000 0.780 571 P CB -0.221 31.469 31.700 -0.017 0.000 0.898 572 P HA 0.085 nan 4.420 nan 0.000 0.212 572 P C -0.018 177.393 177.300 0.184 0.000 1.816 572 P CA -0.010 63.162 63.100 0.121 0.000 0.944 572 P CB -0.519 31.265 31.700 0.140 0.000 1.896 573 I N -0.810 119.816 120.570 0.092 0.000 2.823 573 I HA 0.530 4.697 4.170 -0.004 0.000 0.290 573 I C -0.208 176.015 176.117 0.176 0.000 1.091 573 I CA -0.623 60.691 61.300 0.023 0.000 1.365 573 I CB -0.124 37.825 38.000 -0.085 0.000 1.427 573 I HN -0.032 nan 8.210 nan 0.000 0.583 574 F N 0.821 120.817 119.950 0.077 0.000 2.711 574 F HA 0.672 5.196 4.527 -0.004 0.000 0.313 574 F C -1.386 174.477 175.800 0.105 0.000 1.141 574 F CA -1.177 56.913 58.000 0.149 0.000 0.941 574 F CB 1.192 40.201 39.000 0.015 0.000 1.349 574 F HN 0.463 nan 8.300 nan 0.000 0.464 575 D N 1.074 121.711 120.400 0.396 0.000 2.492 575 D HA 0.237 4.875 4.640 -0.004 0.000 0.248 575 D C -0.712 175.842 176.300 0.425 0.000 1.101 575 D CA -0.405 53.761 54.000 0.277 0.000 0.840 575 D CB 1.595 42.509 40.800 0.191 0.000 1.209 575 D HN 0.723 nan 8.370 nan 0.000 0.524 576 D N 1.337 121.974 120.400 0.395 0.000 2.402 576 D HA -0.034 4.603 4.640 -0.004 0.000 0.216 576 D C 1.020 177.499 176.300 0.299 0.000 1.128 576 D CA -0.130 54.091 54.000 0.368 0.000 0.833 576 D CB -0.029 40.935 40.800 0.273 0.000 0.971 576 D HN 0.203 nan 8.370 nan 0.000 0.503 577 S N -0.162 115.677 115.700 0.232 0.000 2.387 577 S HA -0.308 4.159 4.470 -0.004 0.000 0.230 577 S C 1.885 176.576 174.600 0.150 0.000 1.035 577 S CA 0.821 59.119 58.200 0.164 0.000 1.014 577 S CB -1.065 62.214 63.200 0.132 0.000 0.836 577 S HN 0.389 nan 8.310 nan 0.000 0.466 578 Y N 1.958 122.266 120.300 0.012 0.000 2.128 578 Y HA -0.226 4.321 4.550 -0.004 0.000 0.284 578 Y C 1.968 177.753 175.900 -0.193 0.000 1.154 578 Y CA 1.431 59.438 58.100 -0.154 0.000 1.149 578 Y CB -0.629 37.636 38.460 -0.327 0.000 0.976 578 Y HN 0.276 nan 8.280 nan 0.000 0.505 579 Y N -0.908 119.445 120.300 0.088 0.000 2.475 579 Y HA 0.206 4.753 4.550 -0.004 0.000 0.289 579 Y C 2.194 178.072 175.900 -0.035 0.000 1.121 579 Y CA 0.692 58.772 58.100 -0.034 0.000 1.257 579 Y CB -0.381 38.099 38.460 0.034 0.000 1.026 579 Y HN 0.191 nan 8.280 nan 0.000 0.555 580 G N 0.492 109.377 108.800 0.141 0.000 2.148 580 G HA2 -0.232 3.725 3.960 -0.004 0.000 0.254 580 G HA3 -0.232 3.725 3.960 -0.004 0.000 0.254 580 G C -0.116 174.846 174.900 0.102 0.000 0.981 580 G CA 0.436 45.591 45.100 0.092 0.000 0.670 580 G HN 0.524 nan 8.290 nan 0.000 0.528 581 Q N -2.749 117.124 119.800 0.122 0.000 2.829 581 Q HA 0.523 4.861 4.340 -0.004 0.000 0.296 581 Q C -0.899 175.103 176.000 0.005 0.000 0.893 581 Q CA -1.080 54.769 55.803 0.077 0.000 0.772 581 Q CB 1.064 29.854 28.738 0.087 0.000 1.489 581 Q HN 0.483 nan 8.270 nan 0.000 0.420 582 V N 2.951 122.833 119.914 -0.053 0.000 2.287 582 V HA 0.176 4.294 4.120 -0.004 0.000 0.246 582 V C 0.698 176.621 176.094 -0.286 0.000 1.165 582 V CA -0.273 61.887 62.300 -0.233 0.000 1.088 582 V CB -1.276 30.424 31.823 -0.205 0.000 1.242 582 V HN 0.627 nan 8.190 nan 0.000 0.497 583 I N 1.135 121.456 120.570 -0.415 0.000 3.045 583 I HA 0.104 4.271 4.170 -0.004 0.000 0.288 583 I C 1.832 177.640 176.117 -0.515 0.000 1.238 583 I CA -0.077 60.927 61.300 -0.494 0.000 1.396 583 I CB 0.174 37.731 38.000 -0.737 0.000 1.355 583 I HN 0.752 nan 8.210 nan 0.000 0.601 584 H N 1.508 120.334 119.070 -0.407 0.000 2.422 584 H HA -0.144 4.410 4.556 -0.004 0.000 0.298 584 H C 1.486 176.656 175.328 -0.264 0.000 1.098 584 H CA 1.790 57.669 56.048 -0.281 0.000 1.315 584 H CB -0.446 29.212 29.762 -0.175 0.000 1.382 584 H HN 0.752 nan 8.280 nan 0.000 0.523 585 E N 0.773 120.485 120.200 -0.813 0.000 2.110 585 E HA -0.073 4.275 4.350 -0.004 0.000 0.193 585 E C 2.134 178.469 176.600 -0.442 0.000 0.988 585 E CA 1.489 57.620 56.400 -0.448 0.000 0.804 585 E CB -0.081 29.443 29.700 -0.293 0.000 0.745 585 E HN 0.612 nan 8.360 nan 0.000 0.458 586 I N 0.133 120.181 120.570 -0.869 0.000 2.233 586 I HA -0.212 3.955 4.170 -0.004 0.000 0.243 586 I C 2.443 178.181 176.117 -0.632 0.000 1.093 586 I CA 0.778 61.389 61.300 -1.148 0.000 1.380 586 I CB -0.127 36.906 38.000 -1.611 0.000 1.067 586 I HN 0.014 nan 8.210 nan 0.000 0.413 587 R N 1.590 121.799 120.500 -0.486 0.000 2.096 587 R HA -0.215 4.123 4.340 -0.004 0.000 0.240 587 R C 2.020 178.231 176.300 -0.148 0.000 1.139 587 R CA 1.809 57.749 56.100 -0.267 0.000 0.952 587 R CB -0.377 29.821 30.300 -0.169 0.000 0.854 587 R HN 0.362 nan 8.270 nan 0.000 0.436 588 E N -0.337 119.791 120.200 -0.119 0.000 2.085 588 E HA -0.258 4.090 4.350 -0.004 0.000 0.194 588 E C 1.963 178.548 176.600 -0.025 0.000 0.994 588 E CA 1.744 58.121 56.400 -0.038 0.000 0.801 588 E CB -0.259 29.442 29.700 0.002 0.000 0.743 588 E HN 0.402 nan 8.360 nan 0.000 0.453 589 M N 0.964 120.544 119.600 -0.034 0.000 2.086 589 M HA -0.184 4.294 4.480 -0.004 0.000 0.261 589 M C 2.406 178.730 176.300 0.040 0.000 1.067 589 M CA 2.211 57.530 55.300 0.031 0.000 1.116 589 M CB -0.375 32.311 32.600 0.143 0.000 1.348 589 M HN 0.214 nan 8.290 nan 0.000 0.407 590 T N -1.455 113.101 114.554 0.003 0.000 2.833 590 T HA -0.091 4.257 4.350 -0.004 0.000 0.269 590 T C 1.497 176.226 174.700 0.048 0.000 1.054 590 T CA 1.492 63.620 62.100 0.048 0.000 1.135 590 T CB -1.346 67.551 68.868 0.049 0.000 0.869 590 T HN 0.483 nan 8.240 nan 0.000 0.466 591 V N -1.476 118.455 119.914 0.028 0.000 3.406 591 V HA 0.315 4.432 4.120 -0.004 0.000 0.263 591 V C 2.324 178.445 176.094 0.046 0.000 1.172 591 V CA 0.668 62.988 62.300 0.034 0.000 1.140 591 V CB -1.043 30.793 31.823 0.021 0.000 0.784 591 V HN 0.375 nan 8.190 nan 0.000 0.467 592 M N 0.641 120.275 119.600 0.056 0.000 2.492 592 M HA 0.168 4.646 4.480 -0.004 0.000 0.262 592 M C 1.169 177.525 176.300 0.093 0.000 1.090 592 M CA 1.083 56.425 55.300 0.071 0.000 1.110 592 M CB -0.550 32.100 32.600 0.083 0.000 1.407 592 M HN 0.631 nan 8.290 nan 0.000 0.470 593 N N 0.880 119.637 118.700 0.095 0.000 2.758 593 N HA -0.172 4.566 4.740 -0.004 0.000 0.248 593 N C -0.431 175.174 175.510 0.158 0.000 1.076 593 N CA 0.067 53.183 53.050 0.110 0.000 0.696 593 N CB -0.384 38.160 38.487 0.096 0.000 0.979 593 N HN 0.391 nan 8.380 nan 0.000 0.550 594 M N 0.251 119.954 119.600 0.172 0.000 2.911 594 M HA 0.205 4.683 4.480 -0.004 0.000 0.381 594 M C 1.207 177.605 176.300 0.163 0.000 1.287 594 M CA 0.342 55.785 55.300 0.238 0.000 0.858 594 M CB 0.856 33.649 32.600 0.321 0.000 1.385 594 M HN 0.403 nan 8.290 nan 0.000 0.504 595 G N 2.015 110.880 108.800 0.107 0.000 2.583 595 G HA2 -0.313 3.645 3.960 -0.004 0.000 0.292 595 G HA3 -0.313 3.645 3.960 -0.004 0.000 0.292 595 G C 0.389 175.301 174.900 0.020 0.000 1.203 595 G CA 0.321 45.438 45.100 0.028 0.000 0.987 595 G HN 0.564 nan 8.290 nan 0.000 0.554 596 N N 0.131 118.792 118.700 -0.065 0.000 2.270 596 N HA 0.073 4.811 4.740 -0.004 0.000 0.198 596 N C 0.037 175.575 175.510 0.046 0.000 1.117 596 N CA 0.026 53.092 53.050 0.025 0.000 0.845 596 N CB 0.229 38.656 38.487 -0.100 0.000 0.980 596 N HN 0.437 nan 8.380 nan 0.000 0.486 597 Y N 2.159 122.337 120.300 -0.203 0.000 2.620 597 Y HA 0.241 4.789 4.550 -0.004 0.000 0.352 597 Y C -0.014 175.827 175.900 -0.098 0.000 1.140 597 Y CA -0.886 57.059 58.100 -0.259 0.000 1.529 597 Y CB -0.183 38.011 38.460 -0.443 0.000 1.321 597 Y HN -0.046 nan 8.280 nan 0.000 0.501 598 A N 6.072 128.546 122.820 -0.576 0.000 2.621 598 A HA 0.121 4.439 4.320 -0.004 0.000 0.329 598 A C 1.190 178.400 177.584 -0.624 0.000 1.458 598 A CA -0.402 51.367 52.037 -0.448 0.000 1.052 598 A CB -0.629 18.157 19.000 -0.358 0.000 1.142 598 A HN 1.006 nan 8.150 nan 0.000 0.523 599 H N 2.694 121.382 119.070 -0.637 0.000 2.489 599 H HA -0.137 4.416 4.556 -0.004 0.000 0.293 599 H C 1.888 177.001 175.328 -0.358 0.000 1.066 599 H CA 1.740 57.449 56.048 -0.566 0.000 1.305 599 H CB 0.276 29.903 29.762 -0.226 0.000 1.386 599 H HN 0.716 nan 8.280 nan 0.000 0.551 600 G N 0.536 109.173 108.800 -0.271 0.000 2.509 600 G HA2 -0.163 3.794 3.960 -0.004 0.000 0.218 600 G HA3 -0.163 3.794 3.960 -0.004 0.000 0.218 600 G C 0.490 175.276 174.900 -0.191 0.000 1.124 600 G CA -0.065 44.917 45.100 -0.197 0.000 0.776 600 G HN 0.302 nan 8.290 nan 0.000 0.547 601 N N 0.134 118.679 118.700 -0.258 0.000 2.430 601 N HA 0.283 5.020 4.740 -0.004 0.000 0.292 601 N C 0.664 176.034 175.510 -0.232 0.000 1.051 601 N CA -0.399 52.554 53.050 -0.163 0.000 0.917 601 N CB 1.735 40.133 38.487 -0.148 0.000 1.164 601 N HN -0.102 nan 8.380 nan 0.000 0.484 602 Q N 1.470 121.181 119.800 -0.148 0.000 2.119 602 Q HA -0.011 4.326 4.340 -0.004 0.000 0.201 602 Q C -0.836 174.987 176.000 -0.296 0.000 0.972 602 Q CA 1.655 57.281 55.803 -0.295 0.000 0.847 602 Q CB -0.932 27.500 28.738 -0.510 0.000 0.903 602 Q HN 0.548 nan 8.270 nan 0.000 0.433 603 P HA -0.118 nan 4.420 nan 0.000 0.220 603 P C 0.734 177.992 177.300 -0.071 0.000 1.148 603 P CA 1.058 63.983 63.100 -0.292 0.000 0.803 603 P CB 0.105 31.375 31.700 -0.715 0.000 0.782 604 I N -1.053 119.422 120.570 -0.159 0.000 3.793 604 I HA -0.009 4.159 4.170 -0.004 0.000 0.315 604 I C 1.632 177.688 176.117 -0.101 0.000 1.275 604 I CA 0.362 61.572 61.300 -0.151 0.000 1.214 604 I CB -0.064 37.777 38.000 -0.266 0.000 1.018 604 I HN -0.088 nan 8.210 nan 0.000 0.439 605 Q N -0.034 119.760 119.800 -0.010 0.000 2.291 605 Q HA -0.191 4.146 4.340 -0.004 0.000 0.205 605 Q C 1.583 177.813 176.000 0.384 0.000 0.970 605 Q CA 1.125 56.971 55.803 0.072 0.000 0.876 605 Q CB -0.039 28.661 28.738 -0.063 0.000 0.935 605 Q HN 0.702 nan 8.270 nan 0.000 0.455 606 H N -0.961 118.264 119.070 0.258 0.000 2.553 606 H HA 0.122 4.675 4.556 -0.004 0.000 0.265 606 H C 1.703 177.196 175.328 0.275 0.000 0.964 606 H CA 0.102 56.313 56.048 0.271 0.000 1.156 606 H CB -0.199 29.787 29.762 0.374 0.000 1.411 606 H HN 0.174 nan 8.280 nan 0.000 0.558 607 M N 1.248 120.594 119.600 -0.424 0.000 2.159 607 M HA -0.109 4.369 4.480 -0.004 0.000 0.263 607 M C 1.684 177.816 176.300 -0.280 0.000 1.063 607 M CA 1.266 56.237 55.300 -0.549 0.000 1.110 607 M CB -0.230 31.990 32.600 -0.633 0.000 1.374 607 M HN 0.246 nan 8.290 nan 0.000 0.411 608 I N -0.528 120.011 120.570 -0.051 0.000 2.315 608 I HA -0.312 3.856 4.170 -0.004 0.000 0.248 608 I C 1.820 177.963 176.117 0.044 0.000 1.117 608 I CA 1.208 62.501 61.300 -0.013 0.000 1.404 608 I CB -0.592 37.413 38.000 0.009 0.000 1.071 608 I HN 0.235 nan 8.210 nan 0.000 0.419 609 Y N 0.643 121.026 120.300 0.138 0.000 2.384 609 Y HA -0.192 4.356 4.550 -0.004 0.000 0.289 609 Y C 2.261 178.348 175.900 0.311 0.000 1.152 609 Y CA 0.894 59.132 58.100 0.228 0.000 1.258 609 Y CB -0.442 38.167 38.460 0.249 0.000 0.979 609 Y HN 0.156 nan 8.280 nan 0.000 0.549 610 L N -1.769 119.626 121.223 0.286 0.000 2.362 610 L HA -0.219 4.118 4.340 -0.004 0.000 0.219 610 L C 1.661 178.725 176.870 0.323 0.000 1.134 610 L CA 0.763 55.766 54.840 0.270 0.000 0.807 610 L CB -0.623 41.478 42.059 0.071 0.000 0.927 610 L HN 0.258 nan 8.230 nan 0.000 0.447 611 Y N 0.624 121.050 120.300 0.210 0.000 2.256 611 Y HA -0.285 4.263 4.550 -0.004 0.000 0.288 611 Y C 2.257 178.221 175.900 0.106 0.000 1.155 611 Y CA 1.338 59.511 58.100 0.122 0.000 1.203 611 Y CB -0.497 37.957 38.460 -0.010 0.000 0.980 611 Y HN 0.248 nan 8.280 nan 0.000 0.530 612 D N -1.508 119.090 120.400 0.330 0.000 2.178 612 D HA -0.191 4.447 4.640 -0.004 0.000 0.201 612 D C 1.583 177.967 176.300 0.140 0.000 0.980 612 D CA 1.403 55.523 54.000 0.200 0.000 0.842 612 D CB -0.459 40.454 40.800 0.190 0.000 0.948 612 D HN 0.381 nan 8.370 nan 0.000 0.472 613 Y N -0.075 120.277 120.300 0.088 0.000 2.544 613 Y HA 0.245 4.793 4.550 -0.004 0.000 0.286 613 Y C 1.948 177.811 175.900 -0.062 0.000 1.141 613 Y CA 0.412 58.512 58.100 -0.000 0.000 1.299 613 Y CB 0.037 38.456 38.460 -0.068 0.000 1.030 613 Y HN -0.073 nan 8.280 nan 0.000 0.543 614 A N -0.784 122.121 122.820 0.142 0.000 2.430 614 A HA 0.521 4.839 4.320 -0.004 0.000 0.243 614 A C 1.761 179.390 177.584 0.075 0.000 1.254 614 A CA 0.449 52.536 52.037 0.084 0.000 0.914 614 A CB -0.684 18.445 19.000 0.216 0.000 0.998 614 A HN 0.450 nan 8.150 nan 0.000 0.515 615 G N -0.549 108.281 108.800 0.050 0.000 2.160 615 G HA2 -0.234 3.723 3.960 -0.004 0.000 0.244 615 G HA3 -0.234 3.723 3.960 -0.004 0.000 0.244 615 G C -0.029 174.784 174.900 -0.144 0.000 1.022 615 G CA 0.388 45.501 45.100 0.020 0.000 0.741 615 G HN 0.583 nan 8.290 nan 0.000 0.508 616 Q N -0.714 118.899 119.800 -0.311 0.000 2.719 616 Q HA 0.188 4.526 4.340 -0.004 0.000 0.376 616 Q C -1.673 173.863 176.000 -0.773 0.000 0.856 616 Q CA -1.433 53.728 55.803 -1.070 0.000 1.038 616 Q CB 1.752 29.907 28.738 -0.971 0.000 1.418 616 Q HN 0.337 nan 8.270 nan 0.000 0.395 617 P HA -0.185 nan 4.420 nan 0.000 0.219 617 P C 0.878 178.190 177.300 0.021 0.000 1.146 617 P CA 1.082 64.166 63.100 -0.026 0.000 0.808 617 P CB -0.137 31.638 31.700 0.125 0.000 0.779 618 W N 1.200 122.557 121.300 0.095 0.000 2.392 618 W HA 0.048 4.706 4.660 -0.004 0.000 0.279 618 W C 1.843 178.447 176.519 0.141 0.000 1.225 618 W CA 0.888 58.318 57.345 0.142 0.000 1.233 618 W CB -1.474 27.982 29.460 -0.008 0.000 1.122 618 W HN -0.147 nan 8.180 nan 0.000 0.561 619 K N 0.570 120.697 120.400 -0.455 0.000 2.103 619 K HA -0.012 4.305 4.320 -0.004 0.000 0.204 619 K C 2.474 178.912 176.600 -0.270 0.000 1.052 619 K CA 1.348 57.344 56.287 -0.485 0.000 0.945 619 K CB -0.392 31.385 32.500 -1.205 0.000 0.722 619 K HN 0.227 nan 8.250 nan 0.000 0.443 620 A N 1.237 123.966 122.820 -0.151 0.000 1.898 620 A HA -0.222 4.096 4.320 -0.004 0.000 0.216 620 A C 1.996 179.577 177.584 -0.006 0.000 1.181 620 A CA 1.294 53.354 52.037 0.038 0.000 0.620 620 A CB -0.438 18.603 19.000 0.069 0.000 0.819 620 A HN 0.288 nan 8.150 nan 0.000 0.442 621 Q N -1.793 118.050 119.800 0.073 0.000 2.061 621 Q HA -0.237 4.101 4.340 -0.004 0.000 0.204 621 Q C 2.007 177.980 176.000 -0.045 0.000 0.984 621 Q CA 2.054 57.908 55.803 0.085 0.000 0.846 621 Q CB -0.473 28.431 28.738 0.276 0.000 0.902 621 Q HN 0.820 nan 8.270 nan 0.000 0.421 622 Y N -0.376 119.863 120.300 -0.101 0.000 2.053 622 Y HA -0.304 4.243 4.550 -0.004 0.000 0.277 622 Y C 1.648 177.165 175.900 -0.637 0.000 1.159 622 Y CA 1.898 59.728 58.100 -0.449 0.000 1.125 622 Y CB -0.486 37.742 38.460 -0.387 0.000 0.969 622 Y HN 0.155 nan 8.280 nan 0.000 0.492 623 W N 0.036 121.140 121.300 -0.328 0.000 2.402 623 W HA -0.109 4.548 4.660 -0.004 0.000 0.286 623 W C 2.283 178.547 176.519 -0.425 0.000 1.221 623 W CA 0.942 57.998 57.345 -0.482 0.000 1.257 623 W CB -0.340 28.815 29.460 -0.510 0.000 1.120 623 W HN 0.088 nan 8.180 nan 0.000 0.551 624 L N -0.056 121.090 121.223 -0.128 0.000 2.046 624 L HA -0.205 4.133 4.340 -0.004 0.000 0.208 624 L C 2.616 179.382 176.870 -0.172 0.000 1.077 624 L CA 1.194 55.976 54.840 -0.097 0.000 0.747 624 L CB -0.711 41.236 42.059 -0.186 0.000 0.896 624 L HN -0.111 nan 8.230 nan 0.000 0.432 625 R N -0.113 120.156 120.500 -0.385 0.000 2.115 625 R HA -0.136 4.201 4.340 -0.004 0.000 0.230 625 R C 2.311 178.328 176.300 -0.473 0.000 1.111 625 R CA 1.240 57.056 56.100 -0.474 0.000 0.976 625 R CB -0.279 29.575 30.300 -0.744 0.000 0.870 625 R HN 0.301 nan 8.270 nan 0.000 0.445 626 Q N -0.168 119.276 119.800 -0.594 0.000 2.030 626 Q HA -0.121 4.217 4.340 -0.004 0.000 0.204 626 Q C 2.140 178.042 176.000 -0.163 0.000 0.986 626 Q CA 1.931 57.468 55.803 -0.443 0.000 0.843 626 Q CB -0.487 27.959 28.738 -0.487 0.000 0.904 626 Q HN 0.276 nan 8.270 nan 0.000 0.420 627 V N 1.076 120.941 119.914 -0.082 0.000 2.295 627 V HA -0.277 3.841 4.120 -0.004 0.000 0.246 627 V C 2.434 178.603 176.094 0.126 0.000 1.049 627 V CA 1.786 64.080 62.300 -0.010 0.000 1.024 627 V CB -0.562 31.190 31.823 -0.119 0.000 0.648 627 V HN 0.332 nan 8.190 nan 0.000 0.447 628 M N -0.405 119.272 119.600 0.129 0.000 2.159 628 M HA -0.191 4.287 4.480 -0.004 0.000 0.263 628 M C 1.884 178.290 176.300 0.178 0.000 1.063 628 M CA 1.798 57.211 55.300 0.188 0.000 1.110 628 M CB -0.481 32.094 32.600 -0.041 0.000 1.374 628 M HN 0.334 nan 8.290 nan 0.000 0.411 629 D N -0.489 119.920 120.400 0.015 0.000 2.194 629 D HA -0.042 4.595 4.640 -0.004 0.000 0.204 629 D C 1.977 178.293 176.300 0.026 0.000 0.964 629 D CA 1.053 55.045 54.000 -0.014 0.000 0.846 629 D CB 0.029 40.757 40.800 -0.120 0.000 0.962 629 D HN 0.350 nan 8.370 nan 0.000 0.490 630 R N -0.832 119.690 120.500 0.037 0.000 2.221 630 R HA 0.240 4.577 4.340 -0.004 0.000 0.195 630 R C 1.494 177.827 176.300 0.055 0.000 0.956 630 R CA 0.111 56.230 56.100 0.030 0.000 1.064 630 R CB 0.355 30.661 30.300 0.009 0.000 1.049 630 R HN 0.056 nan 8.270 nan 0.000 0.534 631 M N -0.203 119.459 119.600 0.103 0.000 2.428 631 M HA 0.192 4.670 4.480 -0.004 0.000 0.239 631 M C -0.655 175.570 176.300 -0.126 0.000 1.121 631 M CA 0.508 55.813 55.300 0.008 0.000 1.019 631 M CB 0.285 32.860 32.600 -0.042 0.000 1.485 631 M HN -0.074 nan 8.290 nan 0.000 0.484 632 Y N 0.178 120.477 120.300 -0.002 0.000 2.346 632 Y HA 0.431 4.978 4.550 -0.004 0.000 0.332 632 Y C 0.454 176.268 175.900 -0.142 0.000 0.985 632 Y CA -1.252 56.781 58.100 -0.111 0.000 1.112 632 Y CB 1.433 39.793 38.460 -0.167 0.000 1.170 632 Y HN 0.007 nan 8.280 nan 0.000 0.447 633 T N -0.368 114.144 114.554 -0.070 0.000 2.916 633 T HA 0.442 4.790 4.350 -0.004 0.000 0.292 633 T C -2.498 172.126 174.700 -0.126 0.000 1.064 633 T CA -2.463 59.596 62.100 -0.069 0.000 1.011 633 T CB 2.554 71.391 68.868 -0.052 0.000 1.152 633 T HN 0.275 nan 8.240 nan 0.000 0.510 634 P HA 0.188 nan 4.420 nan 0.000 0.245 634 P C 0.942 178.197 177.300 -0.074 0.000 1.206 634 P CA 0.121 63.180 63.100 -0.069 0.000 0.781 634 P CB -0.255 31.443 31.700 -0.003 0.000 0.994 635 G N 1.593 110.339 108.800 -0.090 0.000 2.588 635 G HA2 0.196 4.154 3.960 -0.004 0.000 0.278 635 G HA3 0.196 4.154 3.960 -0.004 0.000 0.278 635 G C -1.616 173.189 174.900 -0.159 0.000 1.307 635 G CA -1.096 43.932 45.100 -0.120 0.000 1.016 635 G HN -0.079 nan 8.290 nan 0.000 0.503 636 P HA -0.023 nan 4.420 nan 0.000 0.219 636 P C 0.551 177.768 177.300 -0.139 0.000 1.146 636 P CA 1.230 64.140 63.100 -0.315 0.000 0.808 636 P CB 0.145 31.297 31.700 -0.914 0.000 0.779 637 D N -1.293 119.030 120.400 -0.128 0.000 3.072 637 D HA 0.119 4.756 4.640 -0.004 0.000 0.250 637 D C 1.469 177.743 176.300 -0.043 0.000 1.304 637 D CA -0.447 53.529 54.000 -0.040 0.000 0.861 637 D CB -0.939 39.841 40.800 -0.033 0.000 1.062 637 D HN 0.037 nan 8.370 nan 0.000 0.481 638 G N -0.425 108.331 108.800 -0.074 0.000 2.421 638 G HA2 -0.112 3.846 3.960 -0.004 0.000 0.217 638 G HA3 -0.112 3.846 3.960 -0.004 0.000 0.217 638 G C 0.199 174.926 174.900 -0.289 0.000 1.143 638 G CA 0.350 45.324 45.100 -0.209 0.000 0.784 638 G HN 0.295 nan 8.290 nan 0.000 0.541 639 Y N -1.224 119.037 120.300 -0.065 0.000 2.432 639 Y HA 0.339 4.887 4.550 -0.004 0.000 0.322 639 Y C 1.575 177.394 175.900 -0.134 0.000 1.246 639 Y CA -0.876 57.133 58.100 -0.152 0.000 1.268 639 Y CB 1.289 39.697 38.460 -0.087 0.000 1.276 639 Y HN 0.079 nan 8.280 nan 0.000 0.499 640 C N -1.541 117.752 119.300 -0.012 0.000 2.855 640 C HA 0.804 5.261 4.460 -0.004 0.000 0.279 640 C C 0.717 175.724 174.990 0.028 0.000 1.270 640 C CA 0.202 59.212 59.018 -0.012 0.000 1.702 640 C CB -1.432 26.277 27.740 -0.052 0.000 1.949 640 C HN 0.955 nan 8.230 nan 0.000 0.618 641 G N -0.405 108.430 108.800 0.057 0.000 2.427 641 G HA2 0.401 4.359 3.960 -0.004 0.000 0.306 641 G HA3 0.401 4.359 3.960 -0.004 0.000 0.306 641 G C -2.141 172.801 174.900 0.069 0.000 1.280 641 G CA -0.511 44.640 45.100 0.085 0.000 0.837 641 G HN 0.067 nan 8.290 nan 0.000 0.482 642 D N 0.494 120.961 120.400 0.112 0.000 2.488 642 D HA 0.139 4.777 4.640 -0.004 0.000 0.238 642 D C 1.248 177.504 176.300 -0.072 0.000 1.138 642 D CA -0.051 53.997 54.000 0.080 0.000 0.873 642 D CB 1.574 42.505 40.800 0.219 0.000 1.183 642 D HN 0.422 nan 8.370 nan 0.000 0.458 643 E N 1.438 121.509 120.200 -0.215 0.000 2.152 643 E HA -0.161 4.186 4.350 -0.004 0.000 0.192 643 E C -0.394 176.128 176.600 -0.130 0.000 0.983 643 E CA 0.499 56.658 56.400 -0.401 0.000 0.818 643 E CB 0.134 29.473 29.700 -0.601 0.000 0.758 643 E HN 0.419 nan 8.360 nan 0.000 0.467 644 D N 0.600 120.985 120.400 -0.025 0.000 2.705 644 D HA -0.231 4.407 4.640 -0.004 0.000 0.240 644 D C -0.689 175.628 176.300 0.029 0.000 1.137 644 D CA 1.042 55.087 54.000 0.074 0.000 0.677 644 D CB -1.960 38.931 40.800 0.152 0.000 1.049 644 D HN 0.441 nan 8.370 nan 0.000 0.427 645 N N -1.421 117.233 118.700 -0.077 0.000 2.754 645 N HA -0.214 4.524 4.740 -0.004 0.000 0.248 645 N C 1.058 176.641 175.510 0.122 0.000 1.093 645 N CA 1.311 54.288 53.050 -0.121 0.000 0.699 645 N CB -1.074 37.258 38.487 -0.258 0.000 1.016 645 N HN 0.718 nan 8.380 nan 0.000 0.552 646 G N -1.164 107.704 108.800 0.114 0.000 2.238 646 G HA2 -0.390 3.567 3.960 -0.004 0.000 0.217 646 G HA3 -0.390 3.567 3.960 -0.004 0.000 0.217 646 G C 0.662 175.663 174.900 0.169 0.000 0.996 646 G CA 0.797 45.986 45.100 0.148 0.000 0.632 646 G HN 0.471 nan 8.290 nan 0.000 0.503 647 Q N 1.134 121.025 119.800 0.152 0.000 1.990 647 Q HA 0.037 4.374 4.340 -0.004 0.000 0.200 647 Q C 2.468 178.634 176.000 0.276 0.000 0.980 647 Q CA 3.134 59.050 55.803 0.189 0.000 0.832 647 Q CB -0.949 27.859 28.738 0.118 0.000 0.897 647 Q HN 0.455 nan 8.270 nan 0.000 0.427 648 T N 0.129 114.807 114.554 0.207 0.000 2.833 648 T HA -0.079 4.268 4.350 -0.004 0.000 0.269 648 T C 1.900 176.947 174.700 0.578 0.000 1.054 648 T CA 1.284 63.566 62.100 0.304 0.000 1.135 648 T CB -0.274 68.651 68.868 0.096 0.000 0.869 648 T HN 0.270 nan 8.240 nan 0.000 0.466 649 S N 1.394 117.355 115.700 0.435 0.000 2.371 649 S HA 0.084 4.552 4.470 -0.004 0.000 0.224 649 S C 2.596 177.446 174.600 0.417 0.000 1.029 649 S CA 0.782 59.276 58.200 0.491 0.000 0.978 649 S CB -0.449 62.944 63.200 0.322 0.000 0.833 649 S HN 0.582 nan 8.310 nan 0.000 0.466 650 A N 0.278 123.312 122.820 0.356 0.000 2.015 650 A HA -0.107 4.211 4.320 -0.004 0.000 0.219 650 A C 1.753 179.631 177.584 0.490 0.000 1.163 650 A CA 1.048 53.274 52.037 0.315 0.000 0.646 650 A CB -0.969 18.209 19.000 0.296 0.000 0.806 650 A HN 0.707 nan 8.150 nan 0.000 0.448 651 W N -0.738 120.832 121.300 0.450 0.000 2.338 651 W HA -0.278 4.379 4.660 -0.004 0.000 0.304 651 W C 2.008 178.796 176.519 0.447 0.000 1.212 651 W CA 2.152 59.844 57.345 0.578 0.000 1.264 651 W CB -0.346 29.456 29.460 0.571 0.000 1.142 651 W HN 0.481 nan 8.180 nan 0.000 0.512 652 Y N -0.161 120.465 120.300 0.542 0.000 2.220 652 Y HA -0.183 4.365 4.550 -0.004 0.000 0.291 652 Y C 2.272 178.191 175.900 0.033 0.000 1.129 652 Y CA 2.330 60.525 58.100 0.159 0.000 1.161 652 Y CB -0.810 37.495 38.460 -0.258 0.000 0.997 652 Y HN -0.191 nan 8.280 nan 0.000 0.522 653 V N -0.104 119.888 119.914 0.131 0.000 2.255 653 V HA -0.326 3.791 4.120 -0.004 0.000 0.247 653 V C 2.140 178.190 176.094 -0.073 0.000 1.051 653 V CA 2.204 64.427 62.300 -0.130 0.000 1.018 653 V CB -0.920 30.710 31.823 -0.321 0.000 0.641 653 V HN 0.347 nan 8.190 nan 0.000 0.445 654 F N 0.897 120.785 119.950 -0.103 0.000 2.075 654 F HA -0.170 4.354 4.527 -0.004 0.000 0.297 654 F C 2.739 178.323 175.800 -0.359 0.000 1.113 654 F CA 2.000 59.854 58.000 -0.244 0.000 1.218 654 F CB -0.791 38.124 39.000 -0.142 0.000 0.984 654 F HN 0.050 nan 8.300 nan 0.000 0.472 655 S N -0.237 115.356 115.700 -0.178 0.000 2.382 655 S HA -0.155 4.312 4.470 -0.004 0.000 0.228 655 S C 2.270 176.681 174.600 -0.316 0.000 1.027 655 S CA 0.945 58.936 58.200 -0.349 0.000 0.991 655 S CB -0.714 61.970 63.200 -0.859 0.000 0.823 655 S HN 0.369 nan 8.310 nan 0.000 0.469 656 A N 1.160 123.768 122.820 -0.354 0.000 2.015 656 A HA 0.096 4.414 4.320 -0.004 0.000 0.219 656 A C 1.996 179.487 177.584 -0.155 0.000 1.163 656 A CA 0.855 52.711 52.037 -0.303 0.000 0.646 656 A CB -0.548 18.306 19.000 -0.244 0.000 0.806 656 A HN 0.465 nan 8.150 nan 0.000 0.448 657 L N -1.808 119.307 121.223 -0.181 0.000 2.240 657 L HA 0.107 4.444 4.340 -0.004 0.000 0.211 657 L C 1.770 178.467 176.870 -0.287 0.000 1.106 657 L CA 0.863 55.544 54.840 -0.265 0.000 0.793 657 L CB -0.183 41.585 42.059 -0.485 0.000 0.927 657 L HN 0.591 nan 8.230 nan 0.000 0.446 658 G N -0.267 108.358 108.800 -0.292 0.000 2.159 658 G HA2 -0.209 3.749 3.960 -0.004 0.000 0.170 658 G HA3 -0.209 3.749 3.960 -0.004 0.000 0.170 658 G C -0.078 174.914 174.900 0.154 0.000 1.007 658 G CA -0.109 44.966 45.100 -0.042 0.000 0.672 658 G HN 0.272 nan 8.290 nan 0.000 0.507 659 F N -2.191 117.877 119.950 0.196 0.000 2.713 659 F HA 0.845 5.370 4.527 -0.004 0.000 0.311 659 F C -1.099 174.781 175.800 0.133 0.000 1.141 659 F CA -2.722 55.406 58.000 0.213 0.000 0.939 659 F CB 1.109 40.218 39.000 0.182 0.000 1.325 659 F HN 0.284 nan 8.300 nan 0.000 0.453 660 Y N 1.457 121.725 120.300 -0.054 0.000 2.482 660 Y HA 0.546 5.093 4.550 -0.004 0.000 0.334 660 Y C -2.967 172.694 175.900 -0.399 0.000 1.091 660 Y CA -2.276 55.482 58.100 -0.571 0.000 1.027 660 Y CB 3.156 40.867 38.460 -1.248 0.000 1.306 660 Y HN 0.478 nan 8.280 nan 0.000 0.446 661 P HA 0.087 nan 4.420 nan 0.000 0.247 661 P C 0.454 177.534 177.300 -0.366 0.000 1.756 661 P CA 0.254 63.024 63.100 -0.550 0.000 1.117 661 P CB 0.782 32.107 31.700 -0.625 0.000 1.869 662 V N 1.507 121.422 119.914 0.002 0.000 2.392 662 V HA -0.195 3.922 4.120 -0.004 0.000 0.249 662 V C 1.460 177.595 176.094 0.069 0.000 1.059 662 V CA 1.760 64.197 62.300 0.228 0.000 1.051 662 V CB -0.346 31.691 31.823 0.358 0.000 0.658 662 V HN 0.562 nan 8.190 nan 0.000 0.455 663 C N 1.768 121.067 119.300 -0.001 0.000 2.816 663 C HA 0.510 4.967 4.460 -0.004 0.000 0.255 663 C C -2.587 172.404 174.990 0.002 0.000 1.141 663 C CA -2.230 56.775 59.018 -0.023 0.000 1.554 663 C CB -0.341 27.400 27.740 0.002 0.000 1.778 663 C HN 0.292 nan 8.230 nan 0.000 0.429 664 P HA 0.296 nan 4.420 nan 0.000 0.266 664 P C 0.933 178.357 177.300 0.206 0.000 1.193 664 P CA 2.061 65.191 63.100 0.050 0.000 0.770 664 P CB 0.510 32.267 31.700 0.096 0.000 0.836 665 G N 0.783 109.634 108.800 0.085 0.000 2.279 665 G HA2 -0.208 3.750 3.960 -0.004 0.000 0.223 665 G HA3 -0.208 3.750 3.960 -0.004 0.000 0.223 665 G C 0.410 175.385 174.900 0.125 0.000 1.015 665 G CA 0.311 45.483 45.100 0.119 0.000 0.621 665 G HN 0.845 nan 8.290 nan 0.000 0.506 666 T N -0.763 113.866 114.554 0.125 0.000 2.862 666 T HA 0.522 4.870 4.350 -0.004 0.000 0.276 666 T C 0.705 175.305 174.700 -0.165 0.000 0.974 666 T CA 0.592 62.662 62.100 -0.050 0.000 0.966 666 T CB 1.704 70.499 68.868 -0.122 0.000 1.072 666 T HN 0.391 nan 8.240 nan 0.000 0.538 667 D N -1.012 119.289 120.400 -0.164 0.000 2.395 667 D HA 0.119 4.756 4.640 -0.004 0.000 0.226 667 D C -0.062 176.122 176.300 -0.193 0.000 1.146 667 D CA -0.335 53.558 54.000 -0.178 0.000 0.830 667 D CB -0.202 40.556 40.800 -0.071 0.000 0.958 667 D HN 0.713 nan 8.370 nan 0.000 0.501 668 E N -0.164 119.865 120.200 -0.285 0.000 2.195 668 E HA 0.381 4.728 4.350 -0.004 0.000 0.271 668 E C -1.089 175.257 176.600 -0.424 0.000 0.923 668 E CA -0.876 55.409 56.400 -0.192 0.000 0.790 668 E CB 1.540 31.171 29.700 -0.114 0.000 1.155 668 E HN 0.129 nan 8.360 nan 0.000 0.402 669 Y N 0.415 120.770 120.300 0.091 0.000 2.328 669 Y HA 0.281 4.829 4.550 -0.004 0.000 0.336 669 Y C -0.153 175.855 175.900 0.180 0.000 0.960 669 Y CA -1.024 57.125 58.100 0.081 0.000 1.134 669 Y CB 1.350 39.854 38.460 0.073 0.000 1.166 669 Y HN 0.209 nan 8.280 nan 0.000 0.464 670 V N 4.934 125.019 119.914 0.285 0.000 2.530 670 V HA 0.128 4.245 4.120 -0.004 0.000 0.282 670 V C 0.300 176.648 176.094 0.424 0.000 1.048 670 V CA -0.650 61.843 62.300 0.321 0.000 0.997 670 V CB 0.995 33.005 31.823 0.312 0.000 0.987 670 V HN 0.728 nan 8.190 nan 0.000 0.477 671 M N 4.701 124.552 119.600 0.418 0.000 2.228 671 M HA 0.476 4.954 4.480 -0.004 0.000 0.351 671 M C 0.648 177.224 176.300 0.461 0.000 1.233 671 M CA 0.768 56.317 55.300 0.416 0.000 1.129 671 M CB 0.753 33.533 32.600 0.299 0.000 1.604 671 M HN 0.788 nan 8.290 nan 0.000 0.457 672 G N 1.264 110.318 108.800 0.423 0.000 3.267 672 G HA2 0.506 4.464 3.960 -0.004 0.000 0.200 672 G HA3 0.506 4.464 3.960 -0.004 0.000 0.200 672 G C -0.996 173.982 174.900 0.130 0.000 1.603 672 G CA -0.089 45.156 45.100 0.242 0.000 0.753 672 G HN 0.637 nan 8.290 nan 0.000 0.755 673 T N 1.952 116.536 114.554 0.050 0.000 3.071 673 T HA 0.580 4.928 4.350 -0.004 0.000 0.311 673 T C -3.019 171.658 174.700 -0.039 0.000 1.042 673 T CA -1.022 61.093 62.100 0.025 0.000 1.028 673 T CB 2.075 70.951 68.868 0.013 0.000 1.068 673 T HN 0.247 nan 8.240 nan 0.000 0.451 674 P HA 0.222 nan 4.420 nan 0.000 0.274 674 P C 0.366 177.578 177.300 -0.147 0.000 1.231 674 P CA -0.528 62.528 63.100 -0.074 0.000 0.790 674 P CB 1.143 32.833 31.700 -0.017 0.000 0.951 675 L N 1.567 122.633 121.223 -0.262 0.000 2.357 675 L HA 0.326 4.663 4.340 -0.004 0.000 0.211 675 L C 0.494 177.026 176.870 -0.564 0.000 1.075 675 L CA 0.991 55.546 54.840 -0.476 0.000 0.830 675 L CB -0.338 41.278 42.059 -0.739 0.000 0.996 675 L HN 0.148 nan 8.230 nan 0.000 0.467 676 F N -0.523 119.345 119.950 -0.136 0.000 2.457 676 F HA 0.352 4.877 4.527 -0.005 0.000 0.330 676 F C 1.610 177.369 175.800 -0.068 0.000 1.069 676 F CA -0.529 57.408 58.000 -0.105 0.000 1.009 676 F CB 0.683 39.602 39.000 -0.136 0.000 1.276 676 F HN -0.336 nan 8.300 nan 0.000 0.492 677 K N -0.027 120.478 120.400 0.174 0.000 2.228 677 K HA 0.018 4.335 4.320 -0.004 0.000 0.202 677 K C 0.220 176.861 176.600 0.069 0.000 1.051 677 K CA 0.946 57.285 56.287 0.087 0.000 0.960 677 K CB 0.291 32.837 32.500 0.077 0.000 0.743 677 K HN 0.344 nan 8.250 nan 0.000 0.458 678 K N 0.083 120.530 120.400 0.078 0.000 2.525 678 K HA 0.454 4.772 4.320 -0.004 0.000 0.254 678 K C -2.075 174.504 176.600 -0.036 0.000 0.934 678 K CA -0.477 55.821 56.287 0.018 0.000 0.802 678 K CB 2.162 34.667 32.500 0.009 0.000 1.295 678 K HN -0.021 nan 8.250 nan 0.000 0.433 679 A N 2.161 124.941 122.820 -0.067 0.000 2.393 679 A HA 0.680 4.998 4.320 -0.004 0.000 0.306 679 A C -1.187 176.305 177.584 -0.153 0.000 1.050 679 A CA -0.571 51.379 52.037 -0.146 0.000 0.724 679 A CB 1.901 20.816 19.000 -0.141 0.000 1.248 679 A HN 0.537 nan 8.150 nan 0.000 0.424 680 T N 2.944 117.367 114.554 -0.219 0.000 2.840 680 T HA 0.514 4.861 4.350 -0.004 0.000 0.287 680 T C -0.645 173.764 174.700 -0.485 0.000 0.991 680 T CA -0.201 61.706 62.100 -0.320 0.000 0.964 680 T CB 0.572 69.254 68.868 -0.311 0.000 0.954 680 T HN 0.475 nan 8.240 nan 0.000 0.438 681 L N 4.387 125.279 121.223 -0.552 0.000 2.282 681 L HA 0.455 4.792 4.340 -0.004 0.000 0.288 681 L C 0.039 176.324 176.870 -0.975 0.000 1.033 681 L CA -0.937 53.488 54.840 -0.691 0.000 0.807 681 L CB 0.679 42.327 42.059 -0.685 0.000 1.209 681 L HN 0.573 nan 8.230 nan 0.000 0.423 682 H N 4.138 122.900 119.070 -0.513 0.000 2.641 682 H HA 0.306 4.860 4.556 -0.004 0.000 0.295 682 H C -0.466 174.623 175.328 -0.398 0.000 1.070 682 H CA -0.513 55.285 56.048 -0.417 0.000 1.257 682 H CB 0.665 30.299 29.762 -0.212 0.000 1.393 682 H HN 0.271 nan 8.280 nan 0.000 0.464 683 F N 0.936 120.838 119.950 -0.080 0.000 2.382 683 F HA 0.075 4.599 4.527 -0.004 0.000 0.331 683 F C 1.986 177.664 175.800 -0.204 0.000 1.121 683 F CA -0.487 57.380 58.000 -0.222 0.000 1.183 683 F CB 0.771 39.507 39.000 -0.440 0.000 1.207 683 F HN 0.475 nan 8.300 nan 0.000 0.555 684 E N 0.541 120.734 120.200 -0.013 0.000 2.265 684 E HA -0.222 4.125 4.350 -0.004 0.000 0.196 684 E C 1.317 177.878 176.600 -0.066 0.000 0.996 684 E CA 1.200 57.581 56.400 -0.032 0.000 0.832 684 E CB -0.312 29.381 29.700 -0.012 0.000 0.756 684 E HN 0.676 nan 8.360 nan 0.000 0.491 685 N N -0.646 117.961 118.700 -0.155 0.000 2.521 685 N HA -0.034 4.704 4.740 -0.004 0.000 0.188 685 N C 1.258 176.734 175.510 -0.058 0.000 1.146 685 N CA 0.473 53.442 53.050 -0.135 0.000 0.893 685 N CB 0.494 38.834 38.487 -0.245 0.000 0.975 685 N HN 0.128 nan 8.380 nan 0.000 0.451 686 G N 0.175 108.963 108.800 -0.021 0.000 2.217 686 G HA2 -0.258 3.700 3.960 -0.004 0.000 0.246 686 G HA3 -0.258 3.700 3.960 -0.004 0.000 0.246 686 G C -0.182 174.737 174.900 0.032 0.000 0.990 686 G CA -0.194 44.908 45.100 0.004 0.000 0.627 686 G HN 0.412 nan 8.290 nan 0.000 0.522 687 N N 0.616 119.349 118.700 0.056 0.000 2.463 687 N HA 0.676 5.414 4.740 -0.004 0.000 0.270 687 N C -0.204 175.368 175.510 0.103 0.000 1.205 687 N CA 0.336 53.449 53.050 0.106 0.000 0.974 687 N CB 1.395 39.968 38.487 0.143 0.000 1.197 687 N HN 0.238 nan 8.380 nan 0.000 0.504 688 S N 0.170 115.903 115.700 0.054 0.000 2.570 688 S HA 0.571 5.038 4.470 -0.004 0.000 0.286 688 S C -1.145 173.409 174.600 -0.077 0.000 1.099 688 S CA -0.606 57.511 58.200 -0.138 0.000 0.913 688 S CB 1.839 64.989 63.200 -0.083 0.000 1.085 688 S HN 0.401 nan 8.310 nan 0.000 0.480 689 L N 2.947 124.030 121.223 -0.233 0.000 2.356 689 L HA 0.724 5.062 4.340 -0.004 0.000 0.277 689 L C -1.414 175.372 176.870 -0.140 0.000 0.996 689 L CA -0.424 54.376 54.840 -0.066 0.000 0.822 689 L CB 1.478 43.569 42.059 0.052 0.000 1.256 689 L HN 0.453 nan 8.230 nan 0.000 0.413 690 V N 6.673 126.543 119.914 -0.073 0.000 2.370 690 V HA 0.450 4.567 4.120 -0.004 0.000 0.283 690 V C 0.057 176.117 176.094 -0.057 0.000 1.023 690 V CA -0.357 61.897 62.300 -0.077 0.000 0.857 690 V CB 1.463 33.260 31.823 -0.044 0.000 0.985 690 V HN 0.589 nan 8.190 nan 0.000 0.443 691 I N 4.135 124.672 120.570 -0.055 0.000 2.337 691 I HA 0.341 4.509 4.170 -0.004 0.000 0.285 691 I C -0.385 175.722 176.117 -0.017 0.000 1.041 691 I CA -0.229 61.050 61.300 -0.035 0.000 1.199 691 I CB 0.924 38.923 38.000 -0.002 0.000 1.370 691 I HN 0.481 nan 8.210 nan 0.000 0.470 692 D N 6.654 127.047 120.400 -0.010 0.000 2.313 692 D HA 0.423 5.061 4.640 -0.004 0.000 0.239 692 D C -0.079 176.228 176.300 0.011 0.000 1.142 692 D CA 0.028 54.030 54.000 0.004 0.000 0.847 692 D CB 2.054 42.858 40.800 0.008 0.000 1.082 692 D HN 0.583 nan 8.370 nan 0.000 0.480 693 A N 4.641 127.472 122.820 0.018 0.000 3.105 693 A HA 0.352 4.670 4.320 -0.004 0.000 0.336 693 A C -1.753 175.842 177.584 0.018 0.000 1.042 693 A CA -0.964 51.084 52.037 0.018 0.000 0.851 693 A CB 0.876 19.886 19.000 0.016 0.000 1.068 693 A HN 0.239 nan 8.150 nan 0.000 0.477 694 P HA -0.110 nan 4.420 nan 0.000 0.223 694 P C 0.666 177.973 177.300 0.011 0.000 1.151 694 P CA 1.129 64.240 63.100 0.017 0.000 0.787 694 P CB 0.217 31.927 31.700 0.016 0.000 0.788 695 N N -0.457 118.246 118.700 0.005 0.000 2.314 695 N HA 0.004 4.741 4.740 -0.004 0.000 0.200 695 N C 0.320 175.823 175.510 -0.012 0.000 1.135 695 N CA -0.235 52.813 53.050 -0.004 0.000 0.835 695 N CB -0.757 37.726 38.487 -0.007 0.000 0.989 695 N HN -0.101 nan 8.380 nan 0.000 0.478 696 N N 0.357 119.052 118.700 -0.008 0.000 2.479 696 N HA 0.066 4.803 4.740 -0.004 0.000 0.257 696 N C -0.531 174.962 175.510 -0.029 0.000 1.232 696 N CA 0.422 53.459 53.050 -0.021 0.000 0.920 696 N CB 0.666 39.140 38.487 -0.021 0.000 1.105 696 N HN 0.363 nan 8.380 nan 0.000 0.444 697 S N -0.040 115.637 115.700 -0.038 0.000 2.683 697 S HA 0.242 4.710 4.470 -0.004 0.000 0.269 697 S C 0.823 175.405 174.600 -0.029 0.000 1.165 697 S CA -0.430 57.747 58.200 -0.039 0.000 0.840 697 S CB 0.214 63.395 63.200 -0.031 0.000 1.169 697 S HN 0.370 nan 8.310 nan 0.000 0.490 698 T N 1.341 115.879 114.554 -0.027 0.000 2.759 698 T HA -0.052 4.296 4.350 -0.004 0.000 0.269 698 T C 1.178 175.921 174.700 0.072 0.000 1.042 698 T CA 2.326 64.423 62.100 -0.004 0.000 1.140 698 T CB -0.494 68.363 68.868 -0.018 0.000 0.864 698 T HN 0.663 nan 8.240 nan 0.000 0.455 699 E N 0.961 121.174 120.200 0.022 0.000 2.216 699 E HA 0.128 4.475 4.350 -0.004 0.000 0.192 699 E C 0.560 177.034 176.600 -0.209 0.000 0.973 699 E CA 0.314 56.702 56.400 -0.020 0.000 0.851 699 E CB -0.002 29.670 29.700 -0.047 0.000 0.804 699 E HN 0.524 nan 8.360 nan 0.000 0.477 700 N N 1.077 119.689 118.700 -0.147 0.000 3.034 700 N HA 0.111 4.849 4.740 -0.004 0.000 0.265 700 N C -0.598 174.805 175.510 -0.180 0.000 1.166 700 N CA -0.240 52.685 53.050 -0.209 0.000 1.081 700 N CB 0.166 38.593 38.487 -0.099 0.000 1.378 700 N HN 0.141 nan 8.380 nan 0.000 0.520 701 F N -1.608 118.210 119.950 -0.220 0.000 2.678 701 F HA 0.415 4.940 4.527 -0.004 0.000 0.305 701 F C -0.446 175.175 175.800 -0.298 0.000 1.090 701 F CA -0.942 56.882 58.000 -0.294 0.000 1.272 701 F CB -0.345 38.418 39.000 -0.394 0.000 1.060 701 F HN 0.031 nan 8.300 nan 0.000 0.576 702 Y N 1.826 122.054 120.300 -0.120 0.000 2.352 702 Y HA 0.511 5.058 4.550 -0.004 0.000 0.326 702 Y C 0.404 176.310 175.900 0.010 0.000 1.166 702 Y CA -1.895 56.200 58.100 -0.009 0.000 1.182 702 Y CB 1.002 39.402 38.460 -0.100 0.000 1.216 702 Y HN -0.109 nan 8.280 nan 0.000 0.474 703 I N 2.756 123.470 120.570 0.239 0.000 2.291 703 I HA 0.049 4.217 4.170 -0.004 0.000 0.292 703 I C 0.427 176.619 176.117 0.126 0.000 1.064 703 I CA 0.088 61.479 61.300 0.152 0.000 1.269 703 I CB 0.910 39.001 38.000 0.152 0.000 1.418 703 I HN 0.707 nan 8.210 nan 0.000 0.485 704 D N 3.747 124.193 120.400 0.076 0.000 2.194 704 D HA -0.046 4.592 4.640 -0.004 0.000 0.204 704 D C 0.481 176.808 176.300 0.044 0.000 0.964 704 D CA 0.893 54.915 54.000 0.037 0.000 0.846 704 D CB 0.526 41.331 40.800 0.009 0.000 0.962 704 D HN 0.608 nan 8.370 nan 0.000 0.490 705 S N -1.847 113.887 115.700 0.056 0.000 2.611 705 S HA 0.473 4.941 4.470 -0.004 0.000 0.270 705 S C -1.092 173.551 174.600 0.072 0.000 1.131 705 S CA -1.093 57.145 58.200 0.063 0.000 0.826 705 S CB 1.225 64.452 63.200 0.045 0.000 1.095 705 S HN 0.055 nan 8.310 nan 0.000 0.461 706 M N 2.071 121.724 119.600 0.089 0.000 2.470 706 M HA 0.676 5.154 4.480 -0.004 0.000 0.285 706 M C -1.483 174.889 176.300 0.120 0.000 1.213 706 M CA -0.152 55.205 55.300 0.095 0.000 0.901 706 M CB 2.193 34.865 32.600 0.121 0.000 1.718 706 M HN 1.252 nan 8.290 nan 0.000 0.469 707 S N 2.365 118.125 115.700 0.099 0.000 2.595 707 S HA 0.815 5.282 4.470 -0.004 0.000 0.281 707 S C -1.631 173.064 174.600 0.158 0.000 1.117 707 S CA -0.670 57.614 58.200 0.141 0.000 0.873 707 S CB 2.241 65.505 63.200 0.107 0.000 1.108 707 S HN 0.618 nan 8.310 nan 0.000 0.477 708 F N 2.064 122.017 119.950 0.005 0.000 2.612 708 F HA 0.486 5.010 4.527 -0.004 0.000 0.332 708 F C 0.001 175.799 175.800 -0.002 0.000 1.167 708 F CA -1.464 56.509 58.000 -0.045 0.000 0.970 708 F CB 0.002 38.924 39.000 -0.130 0.000 1.234 708 F HN 1.008 nan 8.300 nan 0.000 0.453 709 N N 4.161 123.078 118.700 0.361 0.000 2.705 709 N HA -0.213 4.524 4.740 -0.004 0.000 0.255 709 N C 1.095 176.649 175.510 0.074 0.000 1.008 709 N CA 0.808 53.938 53.050 0.133 0.000 0.742 709 N CB -0.812 37.674 38.487 -0.001 0.000 0.906 709 N HN 1.202 nan 8.380 nan 0.000 0.541 710 G N -1.429 107.428 108.800 0.094 0.000 2.304 710 G HA2 -0.316 3.641 3.960 -0.004 0.000 0.252 710 G HA3 -0.316 3.641 3.960 -0.004 0.000 0.252 710 G C 0.270 175.210 174.900 0.067 0.000 1.014 710 G CA 0.421 45.561 45.100 0.065 0.000 0.619 710 G HN 1.012 nan 8.290 nan 0.000 0.525 711 A N 0.487 123.354 122.820 0.077 0.000 2.362 711 A HA 0.556 4.873 4.320 -0.004 0.000 0.276 711 A C 0.217 177.875 177.584 0.124 0.000 1.153 711 A CA 0.601 52.684 52.037 0.078 0.000 0.813 711 A CB 0.392 19.424 19.000 0.052 0.000 1.081 711 A HN 0.590 nan 8.150 nan 0.000 0.507 712 D N 1.132 121.587 120.400 0.092 0.000 2.493 712 D HA -0.025 4.613 4.640 -0.004 0.000 0.240 712 D C -0.112 176.271 176.300 0.139 0.000 1.142 712 D CA 1.174 55.234 54.000 0.101 0.000 0.872 712 D CB 0.139 40.973 40.800 0.058 0.000 1.173 712 D HN 0.517 nan 8.370 nan 0.000 0.467 713 H N 2.955 122.058 119.070 0.054 0.000 2.792 713 H HA 0.203 4.757 4.556 -0.004 0.000 0.298 713 H C 0.276 175.619 175.328 0.026 0.000 1.042 713 H CA -0.193 55.883 56.048 0.047 0.000 1.300 713 H CB 0.888 30.701 29.762 0.085 0.000 1.431 713 H HN 0.512 nan 8.280 nan 0.000 0.496 714 T N 0.887 115.338 114.554 -0.171 0.000 3.040 714 T HA 0.190 4.537 4.350 -0.004 0.000 0.250 714 T C 0.638 175.243 174.700 -0.158 0.000 1.058 714 T CA -0.333 61.713 62.100 -0.090 0.000 0.988 714 T CB 0.540 69.384 68.868 -0.040 0.000 0.993 714 T HN 0.336 nan 8.240 nan 0.000 0.519 715 K N 1.978 122.117 120.400 -0.436 0.000 2.355 715 K HA 0.207 4.525 4.320 -0.004 0.000 0.270 715 K C 0.022 176.540 176.600 -0.136 0.000 1.003 715 K CA -0.011 56.051 56.287 -0.375 0.000 0.957 715 K CB 0.284 32.312 32.500 -0.785 0.000 0.939 715 K HN 0.240 nan 8.250 nan 0.000 0.482 716 N N 1.389 120.111 118.700 0.037 0.000 2.375 716 N HA 0.046 4.783 4.740 -0.004 0.000 0.220 716 N C -1.313 174.372 175.510 0.291 0.000 1.170 716 N CA -0.173 52.976 53.050 0.165 0.000 0.833 716 N CB -0.012 38.559 38.487 0.140 0.000 1.069 716 N HN 0.416 nan 8.380 nan 0.000 0.479 717 Y N -2.423 117.976 120.300 0.166 0.000 2.609 717 Y HA 0.591 5.139 4.550 -0.004 0.000 0.336 717 Y C -1.613 174.434 175.900 0.244 0.000 1.129 717 Y CA -1.503 56.701 58.100 0.174 0.000 1.040 717 Y CB 0.941 39.459 38.460 0.097 0.000 1.310 717 Y HN -0.299 nan 8.280 nan 0.000 0.460 718 L N 2.459 123.848 121.223 0.277 0.000 2.333 718 L HA 0.698 5.035 4.340 -0.004 0.000 0.269 718 L C -0.387 176.683 176.870 0.332 0.000 1.010 718 L CA -1.174 53.764 54.840 0.163 0.000 0.818 718 L CB 2.192 44.157 42.059 -0.155 0.000 1.306 718 L HN 0.669 nan 8.230 nan 0.000 0.430 719 R N -0.290 120.390 120.500 0.299 0.000 2.346 719 R HA 0.202 4.540 4.340 -0.004 0.000 0.311 719 R C 0.485 176.921 176.300 0.226 0.000 0.983 719 R CA -0.642 55.623 56.100 0.275 0.000 0.880 719 R CB 1.469 31.914 30.300 0.242 0.000 1.100 719 R HN 0.541 nan 8.270 nan 0.000 0.453 720 H N 2.935 122.074 119.070 0.115 0.000 2.289 720 H HA -0.226 4.327 4.556 -0.004 0.000 0.294 720 H C 1.575 176.799 175.328 -0.174 0.000 1.095 720 H CA 2.645 58.697 56.048 0.007 0.000 1.256 720 H CB 0.531 30.221 29.762 -0.121 0.000 1.359 720 H HN 0.641 nan 8.280 nan 0.000 0.487 721 E N 0.354 120.548 120.200 -0.011 0.000 2.153 721 E HA -0.164 4.184 4.350 -0.004 0.000 0.194 721 E C 1.584 178.185 176.600 0.002 0.000 0.988 721 E CA 1.276 57.655 56.400 -0.036 0.000 0.811 721 E CB -0.349 29.369 29.700 0.029 0.000 0.746 721 E HN 0.641 nan 8.360 nan 0.000 0.466 722 D N 1.322 121.751 120.400 0.049 0.000 2.117 722 D HA -0.052 4.586 4.640 -0.004 0.000 0.198 722 D C 2.329 178.736 176.300 0.178 0.000 0.982 722 D CA 0.704 54.748 54.000 0.074 0.000 0.828 722 D CB -0.231 40.628 40.800 0.100 0.000 0.967 722 D HN 0.199 nan 8.370 nan 0.000 0.464 723 L N -0.081 121.226 121.223 0.140 0.000 2.046 723 L HA -0.161 4.176 4.340 -0.004 0.000 0.208 723 L C 2.403 179.302 176.870 0.050 0.000 1.077 723 L CA 0.761 55.675 54.840 0.125 0.000 0.747 723 L CB -0.431 41.582 42.059 -0.078 0.000 0.896 723 L HN -0.045 nan 8.230 nan 0.000 0.432 724 F N 0.933 120.604 119.950 -0.465 0.000 2.333 724 F HA -0.155 4.369 4.527 -0.004 0.000 0.300 724 F C 2.347 178.045 175.800 -0.171 0.000 1.083 724 F CA 1.048 58.701 58.000 -0.579 0.000 1.395 724 F CB -0.535 38.153 39.000 -0.520 0.000 1.056 724 F HN 0.022 nan 8.300 nan 0.000 0.529 725 K N -0.338 120.126 120.400 0.106 0.000 2.296 725 K HA 0.225 4.543 4.320 -0.004 0.000 0.200 725 K C 1.149 177.829 176.600 0.133 0.000 1.048 725 K CA 0.566 56.905 56.287 0.087 0.000 0.966 725 K CB -0.332 32.193 32.500 0.042 0.000 0.754 725 K HN 0.315 nan 8.250 nan 0.000 0.466 726 G N -0.206 108.734 108.800 0.233 0.000 2.760 726 G HA2 0.120 4.078 3.960 -0.004 0.000 0.246 726 G HA3 0.120 4.078 3.960 -0.004 0.000 0.246 726 G C 0.144 175.180 174.900 0.227 0.000 1.359 726 G CA -0.559 44.700 45.100 0.264 0.000 0.861 726 G HN 0.617 nan 8.290 nan 0.000 0.541 727 G N -2.597 106.310 108.800 0.179 0.000 2.250 727 G HA2 0.561 4.519 3.960 -0.004 0.000 0.196 727 G HA3 0.561 4.519 3.960 -0.004 0.000 0.196 727 G C -0.369 174.617 174.900 0.144 0.000 1.308 727 G CA 0.587 45.788 45.100 0.167 0.000 1.207 727 G HN 2.150 nan 8.290 nan 0.000 0.505 728 T N 0.765 115.424 114.554 0.175 0.000 2.928 728 T HA 0.627 4.975 4.350 -0.004 0.000 0.296 728 T C -0.285 174.466 174.700 0.086 0.000 1.000 728 T CA -0.223 61.933 62.100 0.093 0.000 0.989 728 T CB 1.218 70.129 68.868 0.072 0.000 1.005 728 T HN 0.585 nan 8.240 nan 0.000 0.442 729 I N 3.009 123.545 120.570 -0.057 0.000 2.336 729 I HA 0.459 4.627 4.170 -0.004 0.000 0.292 729 I C -0.032 176.057 176.117 -0.047 0.000 0.991 729 I CA -0.855 60.364 61.300 -0.135 0.000 1.227 729 I CB 1.585 39.384 38.000 -0.335 0.000 1.366 729 I HN 0.238 nan 8.210 nan 0.000 0.466 730 K N 5.144 125.539 120.400 -0.008 0.000 2.307 730 K HA 0.545 4.863 4.320 -0.004 0.000 0.263 730 K C -1.245 175.364 176.600 0.015 0.000 0.973 730 K CA -0.361 55.933 56.287 0.012 0.000 0.846 730 K CB 1.582 34.101 32.500 0.032 0.000 1.100 730 K HN 0.304 nan 8.250 nan 0.000 0.438 731 V N 3.712 123.636 119.914 0.016 0.000 2.350 731 V HA 0.265 4.382 4.120 -0.004 0.000 0.285 731 V C -0.814 175.297 176.094 0.028 0.000 1.014 731 V CA -1.103 61.214 62.300 0.028 0.000 0.831 731 V CB 1.451 33.292 31.823 0.030 0.000 1.000 731 V HN 0.668 nan 8.190 nan 0.000 0.433 732 D N 6.066 126.486 120.400 0.033 0.000 2.365 732 D HA 0.332 4.970 4.640 -0.004 0.000 0.237 732 D C 0.068 176.384 176.300 0.026 0.000 1.190 732 D CA -0.184 53.831 54.000 0.025 0.000 0.867 732 D CB 1.123 41.937 40.800 0.023 0.000 1.050 732 D HN 0.244 nan 8.370 nan 0.000 0.491 733 M N 1.026 120.636 119.600 0.015 0.000 2.274 733 M HA 0.320 4.797 4.480 -0.004 0.000 0.344 733 M C 0.517 176.813 176.300 -0.007 0.000 1.161 733 M CA -0.391 54.914 55.300 0.010 0.000 1.126 733 M CB 1.215 33.812 32.600 -0.006 0.000 1.522 733 M HN 0.185 nan 8.290 nan 0.000 0.461 734 S N 1.014 116.708 115.700 -0.009 0.000 2.607 734 S HA 0.498 4.966 4.470 -0.004 0.000 0.273 734 S C 0.263 174.827 174.600 -0.060 0.000 1.148 734 S CA -0.683 57.501 58.200 -0.027 0.000 0.833 734 S CB 1.127 64.319 63.200 -0.014 0.000 1.130 734 S HN 0.755 nan 8.310 nan 0.000 0.470 735 N N 1.781 120.430 118.700 -0.084 0.000 2.336 735 N HA 0.136 4.873 4.740 -0.004 0.000 0.189 735 N C -0.074 175.432 175.510 -0.007 0.000 1.113 735 N CA -0.018 52.952 53.050 -0.134 0.000 0.858 735 N CB -0.077 38.326 38.487 -0.140 0.000 0.970 735 N HN 0.445 nan 8.380 nan 0.000 0.471 736 R N 0.728 121.194 120.500 -0.058 0.000 2.670 736 R HA 0.464 4.802 4.340 -0.004 0.000 0.289 736 R C -2.672 173.274 176.300 -0.590 0.000 0.965 736 R CA -1.951 53.982 56.100 -0.278 0.000 0.899 736 R CB 1.686 31.850 30.300 -0.227 0.000 1.173 736 R HN 0.105 nan 8.270 nan 0.000 0.456 737 P HA -0.034 nan 4.420 nan 0.000 0.271 737 P C -0.893 176.050 177.300 -0.595 0.000 1.216 737 P CA -0.206 62.247 63.100 -1.080 0.000 0.776 737 P CB 0.560 31.562 31.700 -1.163 0.000 0.881 738 N N 3.148 121.632 118.700 -0.360 0.000 2.462 738 N HA 0.076 4.813 4.740 -0.004 0.000 0.242 738 N C 0.549 175.851 175.510 -0.347 0.000 1.010 738 N CA -0.312 52.580 53.050 -0.264 0.000 0.939 738 N CB -0.118 38.316 38.487 -0.088 0.000 1.127 738 N HN 0.084 nan 8.380 nan 0.000 0.509 739 L N 2.966 123.850 121.223 -0.564 0.000 2.610 739 L HA 0.140 4.477 4.340 -0.004 0.000 0.232 739 L C 1.226 177.956 176.870 -0.233 0.000 1.149 739 L CA 0.590 54.941 54.840 -0.815 0.000 0.872 739 L CB -0.891 40.719 42.059 -0.748 0.000 0.992 739 L HN 0.499 nan 8.230 nan 0.000 0.447 740 N N -0.786 117.859 118.700 -0.091 0.000 2.414 740 N HA 0.035 4.773 4.740 -0.004 0.000 0.177 740 N C 0.896 176.462 175.510 0.093 0.000 1.062 740 N CA 0.146 53.208 53.050 0.020 0.000 0.890 740 N CB 0.271 38.750 38.487 -0.012 0.000 1.070 740 N HN 0.169 nan 8.380 nan 0.000 0.454 741 R N 0.591 121.154 120.500 0.105 0.000 2.401 741 R HA 0.287 4.625 4.340 -0.004 0.000 0.299 741 R C 0.269 176.674 176.300 0.176 0.000 1.064 741 R CA 0.750 56.923 56.100 0.122 0.000 1.000 741 R CB -0.031 30.336 30.300 0.111 0.000 0.973 741 R HN 0.275 nan 8.270 nan 0.000 0.438 742 G N 3.072 111.944 108.800 0.121 0.000 2.225 742 G HA2 -0.282 3.675 3.960 -0.004 0.000 0.264 742 G HA3 -0.282 3.675 3.960 -0.004 0.000 0.264 742 G C 0.466 175.438 174.900 0.119 0.000 1.060 742 G CA 0.623 45.788 45.100 0.108 0.000 0.833 742 G HN 0.768 nan 8.290 nan 0.000 0.498 743 T N -3.246 111.382 114.554 0.123 0.000 3.001 743 T HA 0.377 4.725 4.350 -0.004 0.000 0.251 743 T C 0.990 175.740 174.700 0.083 0.000 1.040 743 T CA 0.542 62.717 62.100 0.125 0.000 0.985 743 T CB 0.634 69.605 68.868 0.170 0.000 1.011 743 T HN 0.512 nan 8.240 nan 0.000 0.509 744 K N 1.795 122.234 120.400 0.065 0.000 2.154 744 K HA 0.251 4.569 4.320 -0.004 0.000 0.264 744 K C 1.277 177.904 176.600 0.044 0.000 1.008 744 K CA -0.560 55.756 56.287 0.048 0.000 0.937 744 K CB 0.970 33.493 32.500 0.037 0.000 1.002 744 K HN -0.079 nan 8.250 nan 0.000 0.469 745 E N 2.739 122.961 120.200 0.037 0.000 2.097 745 E HA -0.274 4.074 4.350 -0.004 0.000 0.196 745 E C 1.350 177.975 176.600 0.042 0.000 1.000 745 E CA 1.875 58.294 56.400 0.032 0.000 0.804 745 E CB 0.188 29.902 29.700 0.023 0.000 0.740 745 E HN 0.751 nan 8.360 nan 0.000 0.454 746 E N -0.224 120.003 120.200 0.044 0.000 2.409 746 E HA -0.158 4.190 4.350 -0.004 0.000 0.198 746 E C 0.880 177.529 176.600 0.081 0.000 1.024 746 E CA 1.099 57.535 56.400 0.059 0.000 0.861 746 E CB -0.041 29.683 29.700 0.040 0.000 0.788 746 E HN 0.110 nan 8.360 nan 0.000 0.521 747 D N 0.364 120.803 120.400 0.064 0.000 2.349 747 D HA 0.040 4.677 4.640 -0.004 0.000 0.215 747 D C 0.372 176.756 176.300 0.141 0.000 1.016 747 D CA 0.375 54.414 54.000 0.065 0.000 0.870 747 D CB 0.145 40.965 40.800 0.033 0.000 0.917 747 D HN 0.234 nan 8.370 nan 0.000 0.524 748 M N 1.454 121.119 119.600 0.108 0.000 2.235 748 M HA 0.272 4.750 4.480 -0.004 0.000 0.351 748 M C -2.099 174.176 176.300 -0.042 0.000 1.178 748 M CA -2.028 53.277 55.300 0.008 0.000 1.143 748 M CB 0.251 32.840 32.600 -0.020 0.000 1.530 748 M HN -0.279 nan 8.290 nan 0.000 0.461 749 P HA 0.085 nan 4.420 nan 0.000 0.277 749 P C -0.795 176.371 177.300 -0.223 0.000 1.276 749 P CA -0.411 62.379 63.100 -0.517 0.000 0.788 749 P CB 0.223 31.528 31.700 -0.659 0.000 1.114 750 Y N 0.188 120.346 120.300 -0.237 0.000 2.712 750 Y HA 0.183 4.730 4.550 -0.004 0.000 0.333 750 Y C -0.201 175.766 175.900 0.112 0.000 1.225 750 Y CA 1.171 59.252 58.100 -0.032 0.000 1.499 750 Y CB 0.165 38.625 38.460 0.000 0.000 1.288 750 Y HN 0.153 nan 8.280 nan 0.000 0.575 751 S N 7.206 122.527 115.700 -0.631 0.000 2.571 751 S HA 0.166 4.634 4.470 -0.004 0.000 0.284 751 S C 0.079 174.239 174.600 -0.733 0.000 1.128 751 S CA -0.816 57.082 58.200 -0.503 0.000 0.970 751 S CB 0.815 63.888 63.200 -0.212 0.000 1.039 751 S HN 0.755 nan 8.310 nan 0.000 0.485 752 F N 3.913 123.513 119.950 -0.583 0.000 2.120 752 F HA -0.161 4.364 4.527 -0.004 0.000 0.300 752 F C 2.472 178.211 175.800 -0.102 0.000 1.095 752 F CA 2.329 60.230 58.000 -0.165 0.000 1.249 752 F CB -0.667 38.438 39.000 0.175 0.000 0.995 752 F HN 0.647 nan 8.300 nan 0.000 0.480 753 S N -0.872 114.695 115.700 -0.221 0.000 2.481 753 S HA -0.109 4.359 4.470 -0.004 0.000 0.231 753 S C 1.863 176.326 174.600 -0.228 0.000 0.996 753 S CA 0.691 58.721 58.200 -0.283 0.000 0.942 753 S CB -0.480 62.627 63.200 -0.155 0.000 0.768 753 S HN 0.483 nan 8.310 nan 0.000 0.520 754 K N 1.251 121.526 120.400 -0.208 0.000 2.067 754 K HA 0.029 4.346 4.320 -0.004 0.000 0.203 754 K C 2.243 178.781 176.600 -0.104 0.000 1.048 754 K CA 0.986 57.186 56.287 -0.145 0.000 0.954 754 K CB -0.248 32.171 32.500 -0.135 0.000 0.737 754 K HN 0.502 nan 8.250 nan 0.000 0.444 755 E N 1.296 121.439 120.200 -0.095 0.000 2.108 755 E HA -0.210 4.137 4.350 -0.004 0.000 0.203 755 E C 0.492 177.106 176.600 0.023 0.000 1.022 755 E CA 0.984 57.428 56.400 0.073 0.000 0.823 755 E CB -0.085 29.822 29.700 0.346 0.000 0.744 755 E HN 0.122 nan 8.360 nan 0.000 0.456 756 L N 0.000 121.154 121.223 -0.115 0.000 2.949 756 L HA 0.000 4.338 4.340 -0.004 0.000 0.249 756 L CA 0.000 54.769 54.840 -0.118 0.000 0.813 756 L CB 0.000 41.895 42.059 -0.272 0.000 0.961 756 L HN 0.000 nan 8.230 nan 0.000 0.502