REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2wzs_1_F 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 YSFSK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 20 K HA 0.000 nan 4.320 nan 0.000 0.191 20 K C 0.000 176.086 176.600 -0.857 0.000 0.988 20 K CA 0.000 55.946 56.287 -0.568 0.000 0.838 20 K CB 0.000 32.190 32.500 -0.516 0.000 1.064 21 D N 1.381 121.255 120.400 -0.877 0.000 2.308 21 D HA 0.601 5.241 4.640 -0.000 0.000 0.242 21 D C 0.377 176.160 176.300 -0.862 0.000 1.059 21 D CA -0.333 53.266 54.000 -0.668 0.000 0.830 21 D CB 0.668 41.222 40.800 -0.410 0.000 1.161 21 D HN 0.560 nan 8.370 nan 0.000 0.494 22 W N 2.064 123.218 121.300 -0.243 0.000 2.915 22 W HA -0.023 4.636 4.660 -0.000 0.000 0.276 22 W C 1.972 178.330 176.519 -0.268 0.000 1.215 22 W CA 0.626 57.757 57.345 -0.356 0.000 1.514 22 W CB -0.452 28.712 29.460 -0.494 0.000 1.017 22 W HN 0.538 nan 8.180 nan 0.000 0.598 23 T N -0.046 114.531 114.554 0.038 0.000 2.778 23 T HA -0.341 4.009 4.350 -0.000 0.000 0.269 23 T C 1.695 176.355 174.700 -0.066 0.000 1.050 23 T CA 1.935 64.059 62.100 0.040 0.000 1.137 23 T CB -0.621 68.358 68.868 0.186 0.000 0.860 23 T HN 0.389 nan 8.240 nan 0.000 0.468 24 Q N 0.066 119.730 119.800 -0.228 0.000 2.297 24 Q HA -0.176 4.163 4.340 -0.000 0.000 0.208 24 Q C 1.447 177.294 176.000 -0.255 0.000 0.981 24 Q CA 1.496 57.112 55.803 -0.312 0.000 0.876 24 Q CB -0.749 27.685 28.738 -0.507 0.000 0.921 24 Q HN 0.666 nan 8.270 nan 0.000 0.446 25 Y N 0.416 120.731 120.300 0.025 0.000 2.500 25 Y HA 0.244 4.794 4.550 -0.000 0.000 0.270 25 Y C 0.661 176.629 175.900 0.114 0.000 1.134 25 Y CA -0.678 57.498 58.100 0.126 0.000 1.293 25 Y CB 0.557 39.185 38.460 0.280 0.000 1.063 25 Y HN -0.118 nan 8.280 nan 0.000 0.534 26 V N 2.408 122.398 119.914 0.126 0.000 2.470 26 V HA 0.036 4.156 4.120 -0.000 0.000 0.276 26 V C -0.077 175.941 176.094 -0.126 0.000 1.040 26 V CA -0.424 61.853 62.300 -0.038 0.000 1.008 26 V CB 0.575 32.224 31.823 -0.289 0.000 0.990 26 V HN 0.252 nan 8.190 nan 0.000 0.477 27 N N 7.054 125.703 118.700 -0.084 0.000 2.558 27 N HA 0.407 5.147 4.740 -0.000 0.000 0.242 27 N C -1.948 173.494 175.510 -0.113 0.000 0.979 27 N CA -2.169 50.829 53.050 -0.086 0.000 0.931 27 N CB 2.068 40.548 38.487 -0.011 0.000 1.122 27 N HN 0.190 nan 8.380 nan 0.000 0.508 28 P HA 0.004 nan 4.420 nan 0.000 0.230 28 P C 0.770 178.078 177.300 0.014 0.000 1.158 28 P CA 0.869 63.888 63.100 -0.136 0.000 0.769 28 P CB 0.291 31.859 31.700 -0.220 0.000 0.807 29 L N -2.346 118.898 121.223 0.035 0.000 2.554 29 L HA 0.144 4.484 4.340 -0.000 0.000 0.226 29 L C 1.387 178.312 176.870 0.091 0.000 1.137 29 L CA -0.127 54.778 54.840 0.109 0.000 0.863 29 L CB -0.565 41.602 42.059 0.180 0.000 0.985 29 L HN 0.068 nan 8.230 nan 0.000 0.451 30 M N 1.010 120.649 119.600 0.065 0.000 2.356 30 M HA 0.183 4.663 4.480 -0.000 0.000 0.348 30 M C 1.047 177.458 176.300 0.184 0.000 1.595 30 M CA 1.203 56.534 55.300 0.053 0.000 1.095 30 M CB 0.151 32.750 32.600 -0.001 0.000 1.963 30 M HN 0.275 nan 8.290 nan 0.000 0.459 31 G N 2.085 110.993 108.800 0.180 0.000 2.195 31 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.224 31 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.224 31 G C 0.664 175.697 174.900 0.222 0.000 0.990 31 G CA 0.537 45.809 45.100 0.288 0.000 0.639 31 G HN 0.893 nan 8.290 nan 0.000 0.514 32 S N -0.545 115.291 115.700 0.226 0.000 2.489 32 S HA 0.141 4.611 4.470 -0.000 0.000 0.228 32 S C 1.267 176.057 174.600 0.317 0.000 0.995 32 S CA 1.323 59.724 58.200 0.336 0.000 0.934 32 S CB 0.103 63.612 63.200 0.515 0.000 0.771 32 S HN 0.558 nan 8.310 nan 0.000 0.522 33 Q N 1.834 121.751 119.800 0.195 0.000 3.170 33 Q HA 0.350 4.690 4.340 -0.000 0.000 0.346 33 Q C -0.973 175.114 176.000 0.145 0.000 1.333 33 Q CA -0.285 55.614 55.803 0.160 0.000 0.958 33 Q CB -0.184 28.568 28.738 0.023 0.000 1.600 33 Q HN 0.391 nan 8.270 nan 0.000 0.482 34 S N -0.102 115.716 115.700 0.197 0.000 2.568 34 S HA 0.635 5.105 4.470 -0.000 0.000 0.302 34 S C -0.429 174.272 174.600 0.168 0.000 1.082 34 S CA -0.678 57.639 58.200 0.195 0.000 1.009 34 S CB 1.858 65.211 63.200 0.255 0.000 1.069 34 S HN 0.536 nan 8.310 nan 0.000 0.500 35 T N -0.996 113.613 114.554 0.091 0.000 2.916 35 T HA 0.513 4.862 4.350 -0.000 0.000 0.292 35 T C 0.671 175.346 174.700 -0.041 0.000 1.064 35 T CA -0.783 61.280 62.100 -0.062 0.000 1.011 35 T CB 0.651 69.488 68.868 -0.052 0.000 1.152 35 T HN 0.377 nan 8.240 nan 0.000 0.510 36 F N 1.646 121.355 119.950 -0.403 0.000 2.115 36 F HA -0.108 4.419 4.527 -0.000 0.000 0.300 36 F C 1.909 177.732 175.800 0.038 0.000 1.092 36 F CA 1.892 59.764 58.000 -0.213 0.000 1.245 36 F CB -0.254 38.513 39.000 -0.388 0.000 0.995 36 F HN 0.671 nan 8.300 nan 0.000 0.481 37 E N -0.025 120.162 120.200 -0.021 0.000 2.216 37 E HA 0.127 4.477 4.350 -0.000 0.000 0.192 37 E C -0.365 176.212 176.600 -0.038 0.000 0.988 37 E CA 0.609 56.973 56.400 -0.059 0.000 0.834 37 E CB 0.154 29.884 29.700 0.051 0.000 0.772 37 E HN 0.305 nan 8.360 nan 0.000 0.479 38 L N -0.191 121.028 121.223 -0.006 0.000 2.596 38 L HA 0.325 4.665 4.340 -0.000 0.000 0.265 38 L C -1.053 175.849 176.870 0.053 0.000 0.962 38 L CA -0.362 54.498 54.840 0.032 0.000 0.891 38 L CB 1.986 44.058 42.059 0.021 0.000 1.248 38 L HN -0.161 nan 8.230 nan 0.000 0.410 39 S N 1.506 117.255 115.700 0.082 0.000 2.562 39 S HA 0.543 5.013 4.470 -0.000 0.000 0.275 39 S C 0.767 175.435 174.600 0.113 0.000 1.281 39 S CA 0.312 58.576 58.200 0.107 0.000 1.045 39 S CB 0.802 64.078 63.200 0.126 0.000 0.962 39 S HN 0.765 nan 8.310 nan 0.000 0.503 40 T N 0.956 115.588 114.554 0.130 0.000 3.266 40 T HA 0.561 4.911 4.350 -0.000 0.000 0.278 40 T C 1.011 175.855 174.700 0.241 0.000 1.010 40 T CA 0.193 62.378 62.100 0.143 0.000 0.909 40 T CB 0.119 69.045 68.868 0.096 0.000 1.122 40 T HN 1.156 nan 8.240 nan 0.000 0.536 41 G N 1.518 110.428 108.800 0.184 0.000 3.211 41 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.202 41 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.202 41 G C 0.169 175.086 174.900 0.028 0.000 1.035 41 G CA -0.257 44.899 45.100 0.094 0.000 0.846 41 G HN 0.383 nan 8.290 nan 0.000 0.464 42 N N 1.683 120.441 118.700 0.096 0.000 2.705 42 N HA -0.150 4.589 4.740 -0.000 0.000 0.255 42 N C 0.379 175.881 175.510 -0.015 0.000 1.008 42 N CA 1.931 55.002 53.050 0.034 0.000 0.742 42 N CB -1.390 37.074 38.487 -0.038 0.000 0.906 42 N HN 1.331 nan 8.380 nan 0.000 0.541 43 T N -2.316 112.274 114.554 0.060 0.000 2.950 43 T HA 0.752 5.102 4.350 -0.000 0.000 0.288 43 T C -0.025 174.752 174.700 0.129 0.000 1.035 43 T CA -0.828 61.280 62.100 0.013 0.000 1.028 43 T CB 2.029 70.912 68.868 0.025 0.000 1.109 43 T HN 0.239 nan 8.240 nan 0.000 0.514 44 Y N -1.809 118.546 120.300 0.091 0.000 2.598 44 Y HA 0.768 5.318 4.550 -0.000 0.000 0.340 44 Y C -3.059 172.822 175.900 -0.032 0.000 1.038 44 Y CA -3.656 54.473 58.100 0.049 0.000 1.100 44 Y CB 0.293 38.781 38.460 0.045 0.000 1.281 44 Y HN 0.358 nan 8.280 nan 0.000 0.488 45 P HA 0.231 nan 4.420 nan 0.000 0.273 45 P C -0.832 176.507 177.300 0.065 0.000 1.319 45 P CA 0.068 63.123 63.100 -0.075 0.000 0.885 45 P CB 0.296 31.821 31.700 -0.292 0.000 1.015 46 A N 6.036 128.873 122.820 0.029 0.000 2.527 46 A HA 0.317 4.636 4.320 -0.000 0.000 0.313 46 A C 0.260 177.792 177.584 -0.086 0.000 1.410 46 A CA -0.418 51.593 52.037 -0.043 0.000 1.060 46 A CB -0.545 18.187 19.000 -0.448 0.000 1.137 46 A HN 0.368 nan 8.150 nan 0.000 0.542 47 I N 2.166 122.725 120.570 -0.017 0.000 2.322 47 I HA 0.568 4.738 4.170 -0.000 0.000 0.292 47 I C 0.543 176.713 176.117 0.088 0.000 1.060 47 I CA 0.305 61.608 61.300 0.005 0.000 1.309 47 I CB -0.258 37.742 38.000 -0.001 0.000 1.415 47 I HN 0.704 nan 8.210 nan 0.000 0.492 48 A N 7.081 129.981 122.820 0.133 0.000 2.567 48 A HA 0.649 4.969 4.320 -0.000 0.000 0.291 48 A C -0.569 177.271 177.584 0.425 0.000 1.048 48 A CA -0.899 51.268 52.037 0.217 0.000 0.661 48 A CB 1.488 20.435 19.000 -0.089 0.000 1.288 48 A HN 0.473 nan 8.150 nan 0.000 0.424 49 R N -0.053 120.635 120.500 0.313 0.000 2.577 49 R HA 0.499 4.839 4.340 -0.000 0.000 0.269 49 R C -2.636 173.624 176.300 -0.068 0.000 1.084 49 R CA -1.954 54.219 56.100 0.122 0.000 1.163 49 R CB -0.428 29.907 30.300 0.058 0.000 1.100 49 R HN 0.442 nan 8.270 nan 0.000 0.547 50 P HA -0.069 nan 4.420 nan 0.000 0.266 50 P C -0.192 176.976 177.300 -0.221 0.000 1.195 50 P CA 0.147 62.709 63.100 -0.896 0.000 0.768 50 P CB 0.227 31.102 31.700 -1.374 0.000 0.838 51 W N -0.050 121.275 121.300 0.042 0.000 5.824 51 W HA -0.177 4.483 4.660 -0.000 0.000 0.365 51 W C 0.678 177.320 176.519 0.206 0.000 1.303 51 W CA 0.730 58.173 57.345 0.163 0.000 0.968 51 W CB -2.484 27.098 29.460 0.204 0.000 2.397 51 W HN 0.492 nan 8.180 nan 0.000 1.600 52 G N 0.893 109.955 108.800 0.438 0.000 2.391 52 G HA2 0.147 4.107 3.960 -0.000 0.000 0.234 52 G HA3 0.147 4.107 3.960 -0.000 0.000 0.234 52 G C 0.839 175.896 174.900 0.262 0.000 1.284 52 G CA 0.286 45.618 45.100 0.386 0.000 0.873 52 G HN 0.305 nan 8.290 nan 0.000 0.549 53 M N 1.657 121.362 119.600 0.174 0.000 2.175 53 M HA -0.009 4.471 4.480 -0.000 0.000 0.264 53 M C 0.123 176.566 176.300 0.239 0.000 1.063 53 M CA 1.065 56.460 55.300 0.158 0.000 1.119 53 M CB 0.029 32.689 32.600 0.100 0.000 1.377 53 M HN 0.417 nan 8.290 nan 0.000 0.415 54 N N 0.383 119.218 118.700 0.225 0.000 2.442 54 N HA 0.269 5.009 4.740 -0.000 0.000 0.274 54 N C -1.576 174.064 175.510 0.217 0.000 1.002 54 N CA -0.307 52.806 53.050 0.105 0.000 0.910 54 N CB 1.165 39.747 38.487 0.158 0.000 1.244 54 N HN -0.015 nan 8.380 nan 0.000 0.492 55 F N 0.716 120.560 119.950 -0.176 0.000 2.377 55 F HA 0.466 4.993 4.527 -0.000 0.000 0.328 55 F C 0.219 175.837 175.800 -0.302 0.000 1.094 55 F CA -1.131 56.829 58.000 -0.068 0.000 1.093 55 F CB 0.572 39.587 39.000 0.024 0.000 1.214 55 F HN 0.296 nan 8.300 nan 0.000 0.518 56 W N 0.257 121.622 121.300 0.107 0.000 2.736 56 W HA 0.574 5.234 4.660 -0.000 0.000 0.335 56 W C -0.315 176.165 176.519 -0.065 0.000 1.059 56 W CA -0.564 56.765 57.345 -0.026 0.000 1.226 56 W CB 2.174 31.607 29.460 -0.045 0.000 1.416 56 W HN 0.408 nan 8.180 nan 0.000 0.505 57 T N 3.753 118.357 114.554 0.083 0.000 2.982 57 T HA 0.447 4.797 4.350 -0.000 0.000 0.321 57 T C -2.887 171.732 174.700 -0.135 0.000 1.229 57 T CA -2.012 60.030 62.100 -0.096 0.000 1.044 57 T CB 1.432 70.209 68.868 -0.151 0.000 1.184 57 T HN 0.083 nan 8.240 nan 0.000 0.477 58 P HA 0.150 nan 4.420 nan 0.000 0.268 58 P C -1.123 176.098 177.300 -0.132 0.000 1.205 58 P CA -0.128 62.770 63.100 -0.337 0.000 0.771 58 P CB 0.516 31.980 31.700 -0.394 0.000 0.858 59 Q N 1.592 121.259 119.800 -0.221 0.000 2.341 59 Q HA 0.277 4.617 4.340 -0.000 0.000 0.268 59 Q C 0.650 176.560 176.000 -0.150 0.000 1.013 59 Q CA -0.359 55.373 55.803 -0.117 0.000 0.798 59 Q CB 1.143 29.815 28.738 -0.110 0.000 1.253 59 Q HN 0.527 nan 8.270 nan 0.000 0.457 60 T N -0.258 114.238 114.554 -0.096 0.000 3.034 60 T HA 0.251 4.601 4.350 -0.000 0.000 0.248 60 T C 0.880 175.518 174.700 -0.104 0.000 1.040 60 T CA 0.426 62.442 62.100 -0.140 0.000 1.107 60 T CB 0.184 68.931 68.868 -0.202 0.000 0.932 60 T HN 0.508 nan 8.240 nan 0.000 0.474 61 G N 1.483 110.251 108.800 -0.055 0.000 2.572 61 G HA2 0.466 4.425 3.960 -0.000 0.000 0.261 61 G HA3 0.466 4.425 3.960 -0.000 0.000 0.261 61 G C -0.543 174.324 174.900 -0.056 0.000 1.197 61 G CA -0.825 44.255 45.100 -0.034 0.000 0.870 61 G HN 0.423 nan 8.290 nan 0.000 0.548 62 K N 0.403 120.766 120.400 -0.061 0.000 2.219 62 K HA 0.105 4.425 4.320 -0.000 0.000 0.258 62 K C 0.727 177.272 176.600 -0.091 0.000 1.008 62 K CA -0.368 55.865 56.287 -0.090 0.000 0.928 62 K CB 1.009 33.458 32.500 -0.085 0.000 0.983 62 K HN 0.566 nan 8.250 nan 0.000 0.484 63 M N 1.294 120.788 119.600 -0.177 0.000 2.290 63 M HA -0.074 4.406 4.480 -0.000 0.000 0.356 63 M C 0.688 176.929 176.300 -0.097 0.000 1.448 63 M CA 1.965 57.117 55.300 -0.245 0.000 0.993 63 M CB -0.255 31.972 32.600 -0.622 0.000 1.934 63 M HN 0.979 nan 8.290 nan 0.000 0.461 64 G N 3.101 111.909 108.800 0.014 0.000 2.232 64 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.226 64 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.226 64 G C -0.155 174.768 174.900 0.039 0.000 0.996 64 G CA 0.151 45.273 45.100 0.038 0.000 0.626 64 G HN 0.788 nan 8.290 nan 0.000 0.509 65 D N 1.308 121.730 120.400 0.036 0.000 2.317 65 D HA 0.448 5.088 4.640 -0.000 0.000 0.252 65 D C 1.715 178.054 176.300 0.066 0.000 1.174 65 D CA 0.619 54.665 54.000 0.077 0.000 0.866 65 D CB 0.857 41.706 40.800 0.082 0.000 1.127 65 D HN 0.188 nan 8.370 nan 0.000 0.467 66 G N 3.904 112.731 108.800 0.044 0.000 2.450 66 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.220 66 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.220 66 G C 0.752 175.475 174.900 -0.295 0.000 1.130 66 G CA -0.021 44.957 45.100 -0.202 0.000 0.760 66 G HN 0.611 nan 8.290 nan 0.000 0.557 67 W N 2.274 123.508 121.300 -0.109 0.000 1.836 67 W HA 0.217 4.877 4.660 -0.000 0.000 0.449 67 W C 1.467 177.970 176.519 -0.026 0.000 0.787 67 W CA -0.253 57.054 57.345 -0.063 0.000 1.729 67 W CB -0.171 29.243 29.460 -0.078 0.000 1.802 67 W HN 0.555 nan 8.180 nan 0.000 0.257 68 Q N 1.026 120.874 119.800 0.080 0.000 2.389 68 Q HA -0.110 4.229 4.340 -0.000 0.000 0.204 68 Q C -0.084 175.989 176.000 0.122 0.000 0.944 68 Q CA 0.968 56.795 55.803 0.040 0.000 0.908 68 Q CB 0.232 28.917 28.738 -0.088 0.000 1.002 68 Q HN 0.386 nan 8.270 nan 0.000 0.493 69 Y N 1.309 121.650 120.300 0.068 0.000 2.361 69 Y HA 0.372 4.922 4.550 -0.000 0.000 0.328 69 Y C -1.395 174.624 175.900 0.198 0.000 1.044 69 Y CA -0.662 57.504 58.100 0.110 0.000 1.085 69 Y CB 2.056 40.582 38.460 0.110 0.000 1.194 69 Y HN 0.093 nan 8.280 nan 0.000 0.438 70 T N 1.994 116.470 114.554 -0.129 0.000 2.841 70 T HA 0.183 4.532 4.350 -0.000 0.000 0.283 70 T C 0.133 174.785 174.700 -0.080 0.000 1.000 70 T CA -0.562 61.564 62.100 0.044 0.000 0.977 70 T CB 1.215 70.137 68.868 0.090 0.000 0.979 70 T HN 0.759 nan 8.240 nan 0.000 0.446 71 Y N 2.997 123.336 120.300 0.065 0.000 2.333 71 Y HA -0.097 4.453 4.550 -0.000 0.000 0.290 71 Y C 2.528 178.537 175.900 0.182 0.000 1.144 71 Y CA 2.196 60.383 58.100 0.146 0.000 1.228 71 Y CB -0.129 38.385 38.460 0.089 0.000 0.985 71 Y HN 0.873 nan 8.280 nan 0.000 0.542 72 T N -1.737 112.895 114.554 0.129 0.000 3.129 72 T HA 0.388 4.738 4.350 -0.000 0.000 0.251 72 T C 0.798 175.439 174.700 -0.098 0.000 1.117 72 T CA 0.148 62.269 62.100 0.035 0.000 1.034 72 T CB -0.505 68.402 68.868 0.065 0.000 0.968 72 T HN 0.330 nan 8.240 nan 0.000 0.526 73 A N 1.948 124.684 122.820 -0.140 0.000 2.445 73 A HA 0.388 4.707 4.320 -0.000 0.000 0.242 73 A C 1.208 178.597 177.584 -0.325 0.000 1.075 73 A CA -0.568 51.347 52.037 -0.203 0.000 0.777 73 A CB 0.204 19.099 19.000 -0.174 0.000 1.013 73 A HN 0.322 nan 8.150 nan 0.000 0.493 74 N N 0.479 118.908 118.700 -0.451 0.000 2.395 74 N HA 0.024 4.764 4.740 -0.000 0.000 0.175 74 N C -0.154 174.978 175.510 -0.630 0.000 1.029 74 N CA 0.984 53.551 53.050 -0.804 0.000 0.897 74 N CB 0.160 37.805 38.487 -1.402 0.000 0.991 74 N HN 0.633 nan 8.380 nan 0.000 0.441 75 K N 0.389 120.607 120.400 -0.303 0.000 2.426 75 K HA 0.501 4.821 4.320 -0.000 0.000 0.251 75 K C -0.810 175.767 176.600 -0.039 0.000 0.941 75 K CA -0.547 55.660 56.287 -0.133 0.000 0.808 75 K CB 2.703 35.022 32.500 -0.301 0.000 1.265 75 K HN -0.163 nan 8.250 nan 0.000 0.432 76 I N 2.834 123.346 120.570 -0.097 0.000 2.377 76 I HA 0.275 4.444 4.170 -0.000 0.000 0.293 76 I C 1.311 177.298 176.117 -0.218 0.000 0.987 76 I CA -0.342 60.785 61.300 -0.288 0.000 1.185 76 I CB 1.263 38.941 38.000 -0.537 0.000 1.341 76 I HN 0.686 nan 8.210 nan 0.000 0.455 77 R N 4.081 124.442 120.500 -0.231 0.000 2.446 77 R HA 0.485 4.825 4.340 -0.000 0.000 0.254 77 R C 0.253 176.447 176.300 -0.177 0.000 0.918 77 R CA -0.124 55.874 56.100 -0.171 0.000 1.069 77 R CB 0.929 31.136 30.300 -0.154 0.000 1.194 77 R HN 0.699 nan 8.270 nan 0.000 0.534 78 G N 0.591 109.225 108.800 -0.276 0.000 2.489 78 G HA2 0.455 4.415 3.960 -0.000 0.000 0.291 78 G HA3 0.455 4.415 3.960 -0.000 0.000 0.291 78 G C -1.915 172.737 174.900 -0.413 0.000 1.487 78 G CA -0.859 44.122 45.100 -0.198 0.000 0.795 78 G HN 0.039 nan 8.290 nan 0.000 0.513 79 F N 0.999 120.998 119.950 0.082 0.000 2.402 79 F HA 0.617 5.144 4.527 -0.000 0.000 0.355 79 F C 0.492 176.424 175.800 0.221 0.000 1.123 79 F CA -0.711 57.406 58.000 0.194 0.000 1.021 79 F CB 2.409 41.647 39.000 0.397 0.000 1.160 79 F HN 0.326 nan 8.300 nan 0.000 0.451 80 K N 3.309 123.808 120.400 0.164 0.000 2.270 80 K HA 0.324 4.644 4.320 -0.000 0.000 0.255 80 K C -0.855 175.299 176.600 -0.743 0.000 0.936 80 K CA -0.718 55.408 56.287 -0.267 0.000 0.809 80 K CB 1.715 34.062 32.500 -0.254 0.000 1.131 80 K HN 0.723 nan 8.250 nan 0.000 0.427 81 Q N 2.663 121.514 119.800 -1.581 0.000 2.295 81 Q HA 0.118 4.457 4.340 -0.000 0.000 0.259 81 Q C -1.168 174.191 176.000 -1.068 0.000 0.976 81 Q CA 0.210 54.899 55.803 -1.858 0.000 0.923 81 Q CB 1.254 28.751 28.738 -2.069 0.000 1.185 81 Q HN 0.632 nan 8.270 nan 0.000 0.410 82 T N 2.333 116.345 114.554 -0.904 0.000 2.906 82 T HA 0.408 4.758 4.350 -0.000 0.000 0.295 82 T C -0.722 173.487 174.700 -0.819 0.000 1.075 82 T CA -0.445 61.243 62.100 -0.687 0.000 1.005 82 T CB 0.979 69.522 68.868 -0.540 0.000 1.136 82 T HN 0.805 nan 8.240 nan 0.000 0.498 83 H N 0.393 119.258 119.070 -0.341 0.000 3.233 83 H HA 0.360 4.916 4.556 -0.000 0.000 0.263 83 H C 0.583 175.888 175.328 -0.037 0.000 1.168 83 H CA -0.378 55.475 56.048 -0.325 0.000 1.159 83 H CB 0.555 29.845 29.762 -0.787 0.000 1.593 83 H HN 0.442 nan 8.280 nan 0.000 0.580 84 Q N 3.854 123.702 119.800 0.081 0.000 2.262 84 Q HA -0.023 4.317 4.340 -0.000 0.000 0.298 84 Q C -1.536 174.682 176.000 0.364 0.000 1.083 84 Q CA -0.989 54.923 55.803 0.182 0.000 0.962 84 Q CB 0.927 29.704 28.738 0.064 0.000 1.104 84 Q HN 0.251 nan 8.270 nan 0.000 0.376 85 P HA 0.013 nan 4.420 nan 0.000 0.234 85 P C -0.546 176.713 177.300 -0.069 0.000 1.175 85 P CA 0.503 63.532 63.100 -0.117 0.000 0.801 85 P CB 0.549 32.250 31.700 0.002 0.000 0.891 86 S N -2.135 113.564 115.700 -0.001 0.000 2.587 86 S HA 0.410 4.880 4.470 -0.000 0.000 0.269 86 S C -2.686 171.767 174.600 -0.244 0.000 1.154 86 S CA -1.126 57.036 58.200 -0.063 0.000 0.824 86 S CB 1.496 64.750 63.200 0.089 0.000 1.118 86 S HN -0.255 nan 8.310 nan 0.000 0.462 87 P HA 0.023 nan 4.420 nan 0.000 0.223 87 P C 0.625 177.451 177.300 -0.791 0.000 1.151 87 P CA 0.964 63.468 63.100 -0.994 0.000 0.787 87 P CB -0.215 30.238 31.700 -2.079 0.000 0.788 88 W N -0.195 120.932 121.300 -0.287 0.000 2.443 88 W HA 0.013 4.672 4.660 -0.000 0.000 0.296 88 W C 2.266 178.681 176.519 -0.172 0.000 1.202 88 W CA -0.091 57.159 57.345 -0.158 0.000 1.312 88 W CB -0.967 28.427 29.460 -0.111 0.000 1.120 88 W HN -0.214 nan 8.180 nan 0.000 0.536 89 I N 0.029 120.578 120.570 -0.035 0.000 2.500 89 I HA -0.124 4.046 4.170 -0.000 0.000 0.252 89 I C 1.269 177.337 176.117 -0.082 0.000 1.142 89 I CA 1.090 62.296 61.300 -0.157 0.000 1.451 89 I CB -1.563 36.229 38.000 -0.346 0.000 1.093 89 I HN 0.198 nan 8.210 nan 0.000 0.430 90 N N 0.818 119.470 118.700 -0.081 0.000 5.833 90 N HA -0.208 4.532 4.740 -0.000 0.000 0.357 90 N C -0.323 175.200 175.510 0.023 0.000 0.922 90 N CA 1.068 54.089 53.050 -0.048 0.000 1.099 90 N CB -0.470 38.005 38.487 -0.021 0.000 0.862 90 N HN 0.190 nan 8.380 nan 0.000 0.427 91 D N -0.935 119.494 120.400 0.047 0.000 2.467 91 D HA 0.755 5.395 4.640 -0.000 0.000 0.245 91 D C -0.902 175.508 176.300 0.183 0.000 1.038 91 D CA 0.050 54.082 54.000 0.054 0.000 1.038 91 D CB 1.040 41.819 40.800 -0.035 0.000 1.278 91 D HN 0.450 nan 8.370 nan 0.000 0.564 92 Y N -3.003 117.376 120.300 0.133 0.000 2.677 92 Y HA 0.478 5.028 4.550 -0.000 0.000 0.334 92 Y C 0.196 176.361 175.900 0.443 0.000 1.196 92 Y CA -1.022 57.198 58.100 0.200 0.000 1.059 92 Y CB 0.839 39.302 38.460 0.004 0.000 1.315 92 Y HN 0.522 nan 8.280 nan 0.000 0.455 93 G N 2.047 111.272 108.800 0.709 0.000 2.333 93 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.296 93 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.296 93 G C -0.781 174.267 174.900 0.247 0.000 1.059 93 G CA 0.348 45.802 45.100 0.590 0.000 1.050 93 G HN 1.005 nan 8.290 nan 0.000 0.508 94 Q N -0.769 119.049 119.800 0.029 0.000 2.330 94 Q HA 0.826 5.166 4.340 -0.000 0.000 0.269 94 Q C -0.336 175.280 176.000 -0.640 0.000 1.022 94 Q CA -1.241 54.320 55.803 -0.403 0.000 0.796 94 Q CB 1.981 30.412 28.738 -0.512 0.000 1.271 94 Q HN 1.000 nan 8.270 nan 0.000 0.450 95 F N -0.772 118.668 119.950 -0.850 0.000 2.685 95 F HA 0.847 5.374 4.527 -0.000 0.000 0.315 95 F C -1.269 174.256 175.800 -0.459 0.000 1.126 95 F CA -0.873 56.688 58.000 -0.732 0.000 0.950 95 F CB 1.525 40.176 39.000 -0.582 0.000 1.360 95 F HN 0.673 nan 8.300 nan 0.000 0.469 96 S N 1.538 117.201 115.700 -0.062 0.000 2.588 96 S HA 0.820 5.290 4.470 -0.000 0.000 0.275 96 S C -1.616 173.079 174.600 0.159 0.000 1.130 96 S CA -0.733 57.475 58.200 0.014 0.000 0.855 96 S CB 1.966 65.267 63.200 0.167 0.000 1.116 96 S HN 1.166 nan 8.310 nan 0.000 0.472 97 I N 1.397 122.055 120.570 0.146 0.000 2.689 97 I HA 0.779 4.949 4.170 -0.000 0.000 0.299 97 I C -1.811 174.395 176.117 0.149 0.000 1.059 97 I CA -1.241 60.123 61.300 0.106 0.000 1.055 97 I CB 2.095 40.073 38.000 -0.036 0.000 1.243 97 I HN 0.889 nan 8.210 nan 0.000 0.425 98 M N 10.331 129.964 119.600 0.055 0.000 2.182 98 M HA 0.516 4.996 4.480 -0.000 0.000 0.266 98 M C -2.896 173.324 176.300 -0.133 0.000 0.989 98 M CA -1.907 53.426 55.300 0.055 0.000 1.003 98 M CB 2.035 34.639 32.600 0.008 0.000 1.812 98 M HN 0.131 nan 8.290 nan 0.000 0.472 99 P HA 0.524 nan 4.420 nan 0.000 0.285 99 P C -1.098 176.022 177.300 -0.301 0.000 1.259 99 P CA -0.223 62.655 63.100 -0.371 0.000 0.794 99 P CB 0.516 31.796 31.700 -0.701 0.000 0.940 100 I N -0.253 120.165 120.570 -0.253 0.000 3.191 100 I HA 0.761 4.930 4.170 -0.000 0.000 0.313 100 I C -1.460 174.598 176.117 -0.098 0.000 1.193 100 I CA -1.434 59.511 61.300 -0.591 0.000 0.968 100 I CB 2.375 40.080 38.000 -0.492 0.000 1.262 100 I HN 0.054 nan 8.210 nan 0.000 0.456 101 V N 1.754 121.646 119.914 -0.038 0.000 2.925 101 V HA 0.872 4.992 4.120 -0.000 0.000 0.311 101 V C 0.520 176.740 176.094 0.210 0.000 1.104 101 V CA 0.774 63.174 62.300 0.166 0.000 0.954 101 V CB 1.421 33.375 31.823 0.218 0.000 1.022 101 V HN 1.370 nan 8.190 nan 0.000 0.427 102 G N 3.963 112.894 108.800 0.218 0.000 3.355 102 G HA2 -0.113 3.846 3.960 -0.000 0.000 0.247 102 G HA3 -0.113 3.846 3.960 -0.000 0.000 0.247 102 G C -0.316 174.672 174.900 0.147 0.000 1.818 102 G CA -0.082 45.120 45.100 0.171 0.000 1.309 102 G HN 0.678 nan 8.290 nan 0.000 0.546 103 Q N 2.041 121.853 119.800 0.020 0.000 2.257 103 Q HA 0.540 4.880 4.340 -0.000 0.000 0.262 103 Q C -2.490 173.238 176.000 -0.453 0.000 0.997 103 Q CA -1.741 53.964 55.803 -0.164 0.000 0.873 103 Q CB 2.071 30.728 28.738 -0.136 0.000 1.312 103 Q HN 0.447 nan 8.270 nan 0.000 0.450 104 P HA 0.082 nan 4.420 nan 0.000 0.277 104 P C -0.633 176.416 177.300 -0.418 0.000 1.354 104 P CA -0.152 62.347 63.100 -1.001 0.000 0.891 104 P CB 0.118 31.128 31.700 -1.149 0.000 1.058 105 V N 1.351 121.095 119.914 -0.284 0.000 2.487 105 V HA 0.407 4.527 4.120 -0.000 0.000 0.298 105 V C 0.509 176.571 176.094 -0.053 0.000 1.028 105 V CA -0.693 61.533 62.300 -0.123 0.000 0.860 105 V CB 1.464 33.232 31.823 -0.091 0.000 0.991 105 V HN 0.244 nan 8.190 nan 0.000 0.427 106 F N 2.558 122.419 119.950 -0.147 0.000 2.387 106 F HA 0.282 4.809 4.527 -0.000 0.000 0.294 106 F C 1.328 177.057 175.800 -0.118 0.000 1.093 106 F CA 0.373 58.293 58.000 -0.133 0.000 1.420 106 F CB 0.126 39.036 39.000 -0.150 0.000 1.086 106 F HN 0.813 nan 8.300 nan 0.000 0.531 107 D N 1.066 121.425 120.400 -0.070 0.000 2.583 107 D HA -0.128 4.512 4.640 -0.000 0.000 0.232 107 D C 1.386 177.560 176.300 -0.211 0.000 1.128 107 D CA 0.675 54.602 54.000 -0.121 0.000 0.859 107 D CB 0.581 41.349 40.800 -0.054 0.000 1.169 107 D HN 0.595 nan 8.370 nan 0.000 0.481 108 E N 2.407 122.464 120.200 -0.238 0.000 2.268 108 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 108 E C 0.984 177.492 176.600 -0.153 0.000 0.995 108 E CA 1.004 57.265 56.400 -0.232 0.000 0.836 108 E CB 0.039 29.599 29.700 -0.233 0.000 0.763 108 E HN 0.646 nan 8.360 nan 0.000 0.491 109 E N 1.026 121.155 120.200 -0.118 0.000 2.060 109 E HA -0.033 4.317 4.350 -0.000 0.000 0.189 109 E C 1.969 178.526 176.600 -0.070 0.000 0.974 109 E CA 0.602 56.947 56.400 -0.092 0.000 0.808 109 E CB 0.121 29.776 29.700 -0.076 0.000 0.768 109 E HN 0.184 nan 8.360 nan 0.000 0.453 110 K N 0.931 121.295 120.400 -0.060 0.000 2.147 110 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 110 K C 2.191 178.786 176.600 -0.007 0.000 1.049 110 K CA 1.128 57.395 56.287 -0.034 0.000 0.936 110 K CB -0.074 32.406 32.500 -0.034 0.000 0.722 110 K HN 0.078 nan 8.250 nan 0.000 0.446 111 R N 0.601 121.085 120.500 -0.026 0.000 2.275 111 R HA 0.180 4.520 4.340 -0.000 0.000 0.199 111 R C 0.543 176.922 176.300 0.131 0.000 0.989 111 R CA 0.236 56.357 56.100 0.035 0.000 1.016 111 R CB -0.006 30.252 30.300 -0.070 0.000 0.918 111 R HN -0.071 nan 8.270 nan 0.000 0.473 112 A N 1.440 124.271 122.820 0.020 0.000 2.366 112 A HA 0.330 4.650 4.320 -0.000 0.000 0.249 112 A C -0.241 177.327 177.584 -0.026 0.000 1.084 112 A CA -0.014 52.014 52.037 -0.014 0.000 0.794 112 A CB 0.821 19.768 19.000 -0.088 0.000 1.034 112 A HN 0.372 nan 8.150 nan 0.000 0.491 113 S N 0.297 115.975 115.700 -0.038 0.000 2.538 113 S HA 0.507 4.977 4.470 -0.000 0.000 0.288 113 S C -0.923 173.711 174.600 0.056 0.000 1.108 113 S CA -0.577 57.589 58.200 -0.056 0.000 0.971 113 S CB 0.262 63.396 63.200 -0.111 0.000 1.041 113 S HN 0.572 nan 8.310 nan 0.000 0.483 114 W N 4.222 125.506 121.300 -0.027 0.000 2.364 114 W HA 0.310 4.970 4.660 -0.000 0.000 0.343 114 W C 0.236 176.840 176.519 0.141 0.000 1.237 114 W CA 0.692 58.050 57.345 0.022 0.000 1.319 114 W CB 0.220 29.656 29.460 -0.040 0.000 1.179 114 W HN 0.596 nan 8.180 nan 0.000 0.578 115 F N 0.612 120.668 119.950 0.177 0.000 2.779 115 F HA 0.871 5.398 4.527 -0.000 0.000 0.316 115 F C -1.162 174.675 175.800 0.061 0.000 1.164 115 F CA -1.857 56.210 58.000 0.112 0.000 0.924 115 F CB 0.591 39.613 39.000 0.037 0.000 1.348 115 F HN 0.443 nan 8.300 nan 0.000 0.467 116 A N 0.193 122.877 122.820 -0.225 0.000 2.515 116 A HA 0.557 4.877 4.320 -0.000 0.000 0.296 116 A C -0.205 177.256 177.584 -0.204 0.000 1.094 116 A CA -0.715 51.044 52.037 -0.464 0.000 0.718 116 A CB 0.694 19.608 19.000 -0.143 0.000 1.307 116 A HN 0.984 nan 8.150 nan 0.000 0.408 117 H N 0.518 119.545 119.070 -0.071 0.000 2.491 117 H HA -0.029 4.527 4.556 -0.000 0.000 0.290 117 H C 0.961 176.364 175.328 0.124 0.000 1.050 117 H CA 1.629 57.739 56.048 0.103 0.000 1.309 117 H CB 0.219 30.009 29.762 0.047 0.000 1.392 117 H HN 0.651 nan 8.280 nan 0.000 0.554 118 K N 0.272 120.773 120.400 0.168 0.000 2.432 118 K HA 0.012 4.332 4.320 -0.000 0.000 0.196 118 K C 1.703 178.364 176.600 0.102 0.000 1.038 118 K CA 0.580 56.940 56.287 0.120 0.000 0.986 118 K CB 0.354 32.903 32.500 0.081 0.000 0.782 118 K HN 0.145 nan 8.250 nan 0.000 0.485 119 G N 1.151 110.033 108.800 0.135 0.000 3.523 119 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.270 119 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.270 119 G C -0.516 174.487 174.900 0.171 0.000 1.134 119 G CA -0.187 45.008 45.100 0.159 0.000 0.825 119 G HN 0.163 nan 8.290 nan 0.000 0.534 120 E N 0.204 120.486 120.200 0.136 0.000 2.292 120 E HA 0.489 4.838 4.350 -0.000 0.000 0.272 120 E C -1.758 174.817 176.600 -0.041 0.000 0.881 120 E CA -0.572 55.854 56.400 0.043 0.000 0.754 120 E CB 2.663 32.495 29.700 0.220 0.000 1.201 120 E HN -0.112 nan 8.360 nan 0.000 0.425 121 V N 2.490 122.263 119.914 -0.235 0.000 2.407 121 V HA 0.689 4.809 4.120 -0.000 0.000 0.291 121 V C -0.469 175.427 176.094 -0.330 0.000 1.018 121 V CA -0.588 61.607 62.300 -0.175 0.000 0.842 121 V CB 1.192 32.983 31.823 -0.053 0.000 0.996 121 V HN 0.733 nan 8.190 nan 0.000 0.426 122 A N 3.737 126.469 122.820 -0.146 0.000 2.311 122 A HA 0.879 5.199 4.320 -0.000 0.000 0.306 122 A C 0.044 177.536 177.584 -0.152 0.000 1.189 122 A CA -0.289 51.711 52.037 -0.063 0.000 0.791 122 A CB 1.259 20.337 19.000 0.130 0.000 1.172 122 A HN 0.938 nan 8.150 nan 0.000 0.481 123 T N -0.327 114.069 114.554 -0.264 0.000 2.901 123 T HA 0.693 5.042 4.350 -0.000 0.000 0.293 123 T C -2.500 171.882 174.700 -0.529 0.000 1.084 123 T CA -1.857 59.958 62.100 -0.475 0.000 1.008 123 T CB 1.824 70.221 68.868 -0.786 0.000 1.170 123 T HN 0.108 nan 8.240 nan 0.000 0.509 124 P HA -0.012 nan 4.420 nan 0.000 0.222 124 P C 0.704 177.895 177.300 -0.181 0.000 1.147 124 P CA 0.951 63.687 63.100 -0.608 0.000 0.790 124 P CB -0.357 30.578 31.700 -1.275 0.000 0.780 125 Y N -4.397 115.869 120.300 -0.057 0.000 2.481 125 Y HA 0.481 5.030 4.550 -0.000 0.000 0.247 125 Y C 0.140 176.130 175.900 0.149 0.000 1.151 125 Y CA -1.144 57.029 58.100 0.122 0.000 1.238 125 Y CB -0.065 38.503 38.460 0.180 0.000 1.179 125 Y HN -0.174 nan 8.280 nan 0.000 0.524 126 Y N 0.541 120.627 120.300 -0.356 0.000 2.424 126 Y HA 0.463 5.013 4.550 -0.000 0.000 0.323 126 Y C -2.456 173.329 175.900 -0.192 0.000 1.174 126 Y CA -2.266 55.690 58.100 -0.240 0.000 1.060 126 Y CB 1.077 39.386 38.460 -0.252 0.000 1.314 126 Y HN 0.056 nan 8.280 nan 0.000 0.439 127 Y N 6.508 126.338 120.300 -0.783 0.000 2.373 127 Y HA 0.599 5.149 4.550 -0.000 0.000 0.336 127 Y C -1.425 174.038 175.900 -0.729 0.000 0.979 127 Y CA -0.812 56.935 58.100 -0.588 0.000 1.080 127 Y CB 1.366 39.654 38.460 -0.287 0.000 1.190 127 Y HN 0.678 nan 8.280 nan 0.000 0.446 128 K N 5.493 125.270 120.400 -1.038 0.000 2.422 128 K HA 0.820 5.139 4.320 -0.000 0.000 0.251 128 K C -2.380 173.906 176.600 -0.522 0.000 0.933 128 K CA -0.839 55.079 56.287 -0.615 0.000 0.798 128 K CB 2.233 34.520 32.500 -0.356 0.000 1.238 128 K HN 0.556 nan 8.250 nan 0.000 0.428 129 V N 4.156 123.989 119.914 -0.134 0.000 3.048 129 V HA 0.394 4.514 4.120 -0.000 0.000 0.303 129 V C -2.074 174.143 176.094 0.205 0.000 1.214 129 V CA -0.746 61.593 62.300 0.066 0.000 0.984 129 V CB 1.899 33.828 31.823 0.177 0.000 1.054 129 V HN 0.813 nan 8.190 nan 0.000 0.430 130 Y N 5.927 126.304 120.300 0.129 0.000 2.341 130 Y HA 0.639 5.189 4.550 -0.000 0.000 0.340 130 Y C -0.350 175.667 175.900 0.195 0.000 0.997 130 Y CA -0.664 57.519 58.100 0.138 0.000 1.149 130 Y CB 1.265 39.789 38.460 0.107 0.000 1.171 130 Y HN 0.575 nan 8.280 nan 0.000 0.494 131 L N 7.952 128.991 121.223 -0.306 0.000 2.302 131 L HA 0.345 4.685 4.340 -0.000 0.000 0.285 131 L C 1.322 177.940 176.870 -0.419 0.000 1.090 131 L CA -0.124 54.612 54.840 -0.173 0.000 0.866 131 L CB 0.577 42.664 42.059 0.046 0.000 1.244 131 L HN 0.938 nan 8.230 nan 0.000 0.435 132 A N 2.655 125.355 122.820 -0.201 0.000 1.917 132 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 132 A C 2.016 179.560 177.584 -0.067 0.000 1.182 132 A CA 1.601 53.599 52.037 -0.065 0.000 0.633 132 A CB -0.203 18.894 19.000 0.162 0.000 0.819 132 A HN 0.795 nan 8.150 nan 0.000 0.448 133 E N -1.579 118.558 120.200 -0.104 0.000 2.427 133 E HA -0.083 4.266 4.350 -0.000 0.000 0.196 133 E C 1.084 177.527 176.600 -0.262 0.000 1.028 133 E CA 0.574 56.867 56.400 -0.179 0.000 0.864 133 E CB -0.017 29.555 29.700 -0.213 0.000 0.813 133 E HN 0.733 nan 8.360 nan 0.000 0.514 134 H N -0.566 118.490 119.070 -0.023 0.000 2.874 134 H HA 0.037 4.592 4.556 -0.000 0.000 0.264 134 H C 0.151 175.469 175.328 -0.017 0.000 1.007 134 H CA 0.382 56.428 56.048 -0.003 0.000 1.207 134 H CB 0.572 30.335 29.762 0.001 0.000 1.487 134 H HN 0.054 nan 8.280 nan 0.000 0.505 135 D N 0.837 121.219 120.400 -0.030 0.000 2.699 135 D HA -0.180 4.460 4.640 -0.000 0.000 0.239 135 D C -0.691 175.610 176.300 0.002 0.000 1.136 135 D CA 0.305 54.291 54.000 -0.024 0.000 0.668 135 D CB -1.639 39.254 40.800 0.154 0.000 1.060 135 D HN 0.391 nan 8.370 nan 0.000 0.429 136 I N -0.059 120.422 120.570 -0.148 0.000 2.465 136 I HA 0.359 4.528 4.170 -0.000 0.000 0.291 136 I C 0.343 176.416 176.117 -0.074 0.000 1.014 136 I CA -1.240 59.996 61.300 -0.107 0.000 1.093 136 I CB 2.101 39.990 38.000 -0.184 0.000 1.267 136 I HN -0.225 nan 8.210 nan 0.000 0.431 137 V N 4.662 124.604 119.914 0.047 0.000 2.509 137 V HA 0.394 4.513 4.120 -0.000 0.000 0.284 137 V C 0.105 176.227 176.094 0.046 0.000 1.047 137 V CA -0.180 62.186 62.300 0.110 0.000 0.952 137 V CB 1.602 33.515 31.823 0.150 0.000 0.988 137 V HN 0.734 nan 8.190 nan 0.000 0.469 138 T N 5.002 119.578 114.554 0.037 0.000 2.807 138 T HA 0.540 4.889 4.350 -0.000 0.000 0.279 138 T C -0.591 174.006 174.700 -0.171 0.000 0.993 138 T CA -0.577 61.479 62.100 -0.073 0.000 0.970 138 T CB 1.228 69.943 68.868 -0.256 0.000 0.950 138 T HN 0.752 nan 8.240 nan 0.000 0.441 139 E N 2.934 122.974 120.200 -0.267 0.000 2.238 139 E HA 0.687 5.037 4.350 -0.000 0.000 0.267 139 E C -0.525 175.768 176.600 -0.512 0.000 0.887 139 E CA -0.916 55.269 56.400 -0.359 0.000 0.769 139 E CB 2.257 31.834 29.700 -0.206 0.000 1.187 139 E HN 0.634 nan 8.360 nan 0.000 0.416 140 M N -0.284 118.960 119.600 -0.593 0.000 2.378 140 M HA 0.582 5.062 4.480 -0.000 0.000 0.289 140 M C -1.268 174.747 176.300 -0.475 0.000 1.136 140 M CA -0.782 54.034 55.300 -0.807 0.000 0.917 140 M CB 2.166 33.985 32.600 -1.301 0.000 1.669 140 M HN 0.401 nan 8.290 nan 0.000 0.461 141 T N 0.659 114.980 114.554 -0.387 0.000 2.881 141 T HA 0.782 5.132 4.350 -0.000 0.000 0.291 141 T C -3.155 171.435 174.700 -0.182 0.000 0.990 141 T CA -1.362 60.653 62.100 -0.141 0.000 0.976 141 T CB 1.781 70.661 68.868 0.020 0.000 0.970 141 T HN 0.603 nan 8.240 nan 0.000 0.438 142 P HA 0.492 nan 4.420 nan 0.000 0.289 142 P C -0.031 177.312 177.300 0.072 0.000 1.293 142 P CA -0.378 62.698 63.100 -0.039 0.000 0.897 142 P CB 1.867 33.602 31.700 0.059 0.000 1.166 143 T N -2.692 111.913 114.554 0.085 0.000 2.855 143 T HA 0.309 4.659 4.350 -0.000 0.000 0.275 143 T C 1.219 176.013 174.700 0.156 0.000 1.022 143 T CA -0.347 61.817 62.100 0.108 0.000 0.977 143 T CB 0.140 69.057 68.868 0.083 0.000 1.559 143 T HN 0.312 nan 8.240 nan 0.000 0.600 144 E N 0.114 120.397 120.200 0.137 0.000 2.153 144 E HA -0.054 4.295 4.350 -0.000 0.000 0.194 144 E C 1.961 178.669 176.600 0.180 0.000 0.988 144 E CA 0.924 57.416 56.400 0.154 0.000 0.811 144 E CB 0.025 29.787 29.700 0.103 0.000 0.746 144 E HN 0.452 nan 8.360 nan 0.000 0.466 145 R N -1.507 119.095 120.500 0.170 0.000 2.544 145 R HA 0.335 4.675 4.340 -0.000 0.000 0.303 145 R C -0.108 176.333 176.300 0.236 0.000 0.939 145 R CA 0.026 56.237 56.100 0.186 0.000 1.102 145 R CB 1.523 31.895 30.300 0.120 0.000 1.440 145 R HN -0.068 nan 8.270 nan 0.000 0.532 146 A N 0.662 123.604 122.820 0.204 0.000 2.437 146 A HA 0.810 5.130 4.320 -0.000 0.000 0.292 146 A C -1.327 176.308 177.584 0.084 0.000 1.173 146 A CA -0.623 51.520 52.037 0.177 0.000 0.785 146 A CB 2.199 21.267 19.000 0.112 0.000 1.351 146 A HN -0.060 nan 8.150 nan 0.000 0.431 147 V N 0.010 119.885 119.914 -0.064 0.000 3.048 147 V HA 0.635 4.755 4.120 -0.000 0.000 0.303 147 V C -1.984 173.928 176.094 -0.303 0.000 1.214 147 V CA -0.573 61.522 62.300 -0.342 0.000 0.984 147 V CB 1.955 33.191 31.823 -0.978 0.000 1.054 147 V HN 1.099 nan 8.190 nan 0.000 0.430 148 L N 5.594 126.609 121.223 -0.346 0.000 2.296 148 L HA 0.702 5.042 4.340 -0.000 0.000 0.286 148 L C -1.169 175.402 176.870 -0.498 0.000 1.023 148 L CA 0.223 54.893 54.840 -0.283 0.000 0.812 148 L CB 1.230 43.188 42.059 -0.168 0.000 1.223 148 L HN 0.571 nan 8.230 nan 0.000 0.421 149 F N 4.304 124.001 119.950 -0.421 0.000 2.422 149 F HA 0.605 5.132 4.527 -0.000 0.000 0.333 149 F C 0.328 175.755 175.800 -0.622 0.000 1.095 149 F CA -0.349 57.273 58.000 -0.631 0.000 1.038 149 F CB 1.398 39.891 39.000 -0.845 0.000 1.156 149 F HN 0.385 nan 8.300 nan 0.000 0.483 150 R N 3.648 123.858 120.500 -0.483 0.000 2.476 150 R HA 0.512 4.852 4.340 -0.000 0.000 0.305 150 R C -1.959 174.086 176.300 -0.424 0.000 0.965 150 R CA -0.518 55.370 56.100 -0.353 0.000 0.867 150 R CB 0.821 31.031 30.300 -0.150 0.000 1.176 150 R HN 0.562 nan 8.270 nan 0.000 0.447 151 F N 2.243 122.215 119.950 0.036 0.000 2.411 151 F HA 0.319 4.846 4.527 -0.000 0.000 0.352 151 F C 0.279 176.013 175.800 -0.111 0.000 1.123 151 F CA -0.835 57.090 58.000 -0.123 0.000 1.044 151 F CB 2.368 41.249 39.000 -0.199 0.000 1.135 151 F HN 0.271 nan 8.300 nan 0.000 0.461 152 T N 4.628 119.192 114.554 0.017 0.000 2.762 152 T HA 0.376 4.725 4.350 -0.000 0.000 0.303 152 T C -0.392 174.314 174.700 0.010 0.000 0.977 152 T CA -0.289 61.851 62.100 0.067 0.000 0.961 152 T CB -0.113 68.806 68.868 0.085 0.000 0.944 152 T HN 0.167 nan 8.240 nan 0.000 0.481 153 F N 5.149 125.196 119.950 0.160 0.000 2.378 153 F HA 0.470 4.997 4.527 -0.000 0.000 0.325 153 F C -1.574 174.293 175.800 0.112 0.000 1.097 153 F CA -2.115 55.968 58.000 0.138 0.000 1.079 153 F CB 0.983 40.068 39.000 0.143 0.000 1.240 153 F HN 0.326 nan 8.300 nan 0.000 0.519 154 P HA 0.085 nan 4.420 nan 0.000 0.284 154 P C -1.206 176.195 177.300 0.168 0.000 1.292 154 P CA -0.635 62.592 63.100 0.211 0.000 0.800 154 P CB 0.565 32.377 31.700 0.186 0.000 1.188 155 E N 1.013 121.278 120.200 0.108 0.000 2.328 155 E HA 0.045 4.395 4.350 -0.000 0.000 0.265 155 E C -0.544 176.084 176.600 0.046 0.000 1.057 155 E CA 0.177 56.614 56.400 0.062 0.000 0.916 155 E CB -0.309 29.417 29.700 0.044 0.000 0.993 155 E HN 0.253 nan 8.360 nan 0.000 0.446 156 N N 3.740 122.442 118.700 0.004 0.000 2.446 156 N HA 0.051 4.790 4.740 -0.000 0.000 0.272 156 N C -0.770 174.650 175.510 -0.149 0.000 1.127 156 N CA -0.500 52.526 53.050 -0.040 0.000 0.896 156 N CB 1.764 40.251 38.487 0.000 0.000 1.658 156 N HN 0.386 nan 8.380 nan 0.000 0.483 157 D N 0.375 120.623 120.400 -0.253 0.000 2.269 157 D HA -0.022 4.618 4.640 -0.000 0.000 0.208 157 D C -0.314 175.531 176.300 -0.759 0.000 0.963 157 D CA 1.391 55.085 54.000 -0.509 0.000 0.864 157 D CB 0.119 40.525 40.800 -0.657 0.000 0.936 157 D HN 0.509 nan 8.370 nan 0.000 0.505 158 H N -0.830 118.107 119.070 -0.222 0.000 2.423 158 H HA 0.420 4.976 4.556 -0.000 0.000 0.237 158 H C -0.665 174.274 175.328 -0.648 0.000 1.391 158 H CA -0.349 55.422 56.048 -0.462 0.000 1.453 158 H CB 0.710 30.360 29.762 -0.185 0.000 1.484 158 H HN -0.263 nan 8.280 nan 0.000 0.505 159 S N 1.707 116.965 115.700 -0.736 0.000 2.489 159 S HA 0.508 4.978 4.470 -0.000 0.000 0.291 159 S C -0.810 173.064 174.600 -1.210 0.000 1.151 159 S CA -0.579 57.177 58.200 -0.739 0.000 1.082 159 S CB 0.801 63.540 63.200 -0.769 0.000 1.019 159 S HN 0.401 nan 8.310 nan 0.000 0.492 160 Y N -0.042 119.977 120.300 -0.468 0.000 2.609 160 Y HA 0.640 5.189 4.550 -0.000 0.000 0.342 160 Y C -0.515 175.191 175.900 -0.324 0.000 1.058 160 Y CA -1.134 56.659 58.100 -0.511 0.000 1.055 160 Y CB 1.501 39.737 38.460 -0.373 0.000 1.292 160 Y HN 0.305 nan 8.280 nan 0.000 0.476 161 V N 2.386 122.197 119.914 -0.170 0.000 2.577 161 V HA 0.472 4.592 4.120 -0.000 0.000 0.303 161 V C -0.918 175.138 176.094 -0.063 0.000 1.042 161 V CA -0.898 61.325 62.300 -0.128 0.000 0.872 161 V CB 1.696 33.466 31.823 -0.088 0.000 0.998 161 V HN 0.527 nan 8.190 nan 0.000 0.423 162 V N 5.357 125.253 119.914 -0.029 0.000 2.394 162 V HA 0.484 4.604 4.120 -0.000 0.000 0.282 162 V C -0.126 176.041 176.094 0.122 0.000 1.031 162 V CA -0.522 61.807 62.300 0.048 0.000 0.881 162 V CB 1.853 33.672 31.823 -0.008 0.000 0.982 162 V HN 0.617 nan 8.190 nan 0.000 0.451 163 V N 3.817 123.859 119.914 0.214 0.000 2.417 163 V HA 0.442 4.562 4.120 -0.000 0.000 0.291 163 V C -0.500 175.828 176.094 0.390 0.000 1.024 163 V CA -0.454 62.010 62.300 0.272 0.000 0.861 163 V CB 1.817 33.808 31.823 0.280 0.000 0.985 163 V HN 0.883 nan 8.190 nan 0.000 0.436 164 D N 3.880 124.514 120.400 0.390 0.000 2.453 164 D HA 0.519 5.158 4.640 -0.000 0.000 0.238 164 D C 0.519 177.181 176.300 0.602 0.000 1.088 164 D CA -0.380 53.945 54.000 0.541 0.000 0.854 164 D CB 2.085 43.087 40.800 0.337 0.000 1.076 164 D HN 0.568 nan 8.370 nan 0.000 0.533 165 A N 3.924 127.096 122.820 0.586 0.000 2.278 165 A HA 0.274 4.594 4.320 -0.000 0.000 0.212 165 A C 0.367 178.279 177.584 0.547 0.000 1.213 165 A CA -0.075 52.265 52.037 0.505 0.000 0.840 165 A CB -0.603 18.663 19.000 0.442 0.000 0.866 165 A HN 0.547 nan 8.150 nan 0.000 0.489 166 F N -0.507 119.565 119.950 0.203 0.000 2.182 166 F HA -0.188 4.339 4.527 -0.000 0.000 0.318 166 F C 0.571 176.185 175.800 -0.310 0.000 0.140 166 F CA 0.558 58.493 58.000 -0.109 0.000 0.912 166 F CB -0.905 38.096 39.000 0.000 0.000 4.133 166 F HN 0.596 nan 8.300 nan 0.000 0.139 167 D N 0.374 120.618 120.400 -0.260 0.000 2.567 167 D HA 0.397 5.037 4.640 -0.000 0.000 0.275 167 D C -0.037 176.291 176.300 0.046 0.000 1.195 167 D CA 0.063 53.952 54.000 -0.184 0.000 1.087 167 D CB 0.606 41.258 40.800 -0.247 0.000 1.165 167 D HN 0.512 nan 8.370 nan 0.000 0.609 168 K N -1.249 119.189 120.400 0.063 0.000 3.230 168 K HA -0.036 4.283 4.320 -0.000 0.000 0.285 168 K C 0.378 177.056 176.600 0.130 0.000 1.196 168 K CA 0.941 57.287 56.287 0.098 0.000 0.838 168 K CB -2.398 30.168 32.500 0.109 0.000 1.262 168 K HN 1.380 nan 8.250 nan 0.000 0.492 169 G N 0.138 109.019 108.800 0.135 0.000 3.055 169 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.654 169 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.654 169 G C -0.184 174.844 174.900 0.212 0.000 1.134 169 G CA 0.096 45.295 45.100 0.166 0.000 1.049 169 G HN 0.953 nan 8.290 nan 0.000 0.458 170 S N 1.029 116.823 115.700 0.156 0.000 2.794 170 S HA 0.929 5.399 4.470 -0.000 0.000 0.299 170 S C -0.864 173.668 174.600 -0.113 0.000 1.179 170 S CA -0.682 57.561 58.200 0.072 0.000 0.838 170 S CB 2.865 66.159 63.200 0.157 0.000 1.206 170 S HN 2.105 nan 8.310 nan 0.000 0.523 171 Y N -0.432 119.558 120.300 -0.516 0.000 2.552 171 Y HA 0.802 5.352 4.550 -0.000 0.000 0.337 171 Y C -2.203 173.498 175.900 -0.332 0.000 1.094 171 Y CA -0.997 56.780 58.100 -0.538 0.000 1.028 171 Y CB 1.295 39.126 38.460 -1.049 0.000 1.321 171 Y HN 0.971 nan 8.280 nan 0.000 0.456 172 I N 4.536 124.490 120.570 -1.028 0.000 2.827 172 I HA 0.565 4.735 4.170 -0.000 0.000 0.298 172 I C -1.875 173.731 176.117 -0.852 0.000 1.235 172 I CA -0.566 60.278 61.300 -0.760 0.000 1.021 172 I CB 2.256 40.095 38.000 -0.268 0.000 1.259 172 I HN 0.670 nan 8.210 nan 0.000 0.427 173 K N 7.075 127.143 120.400 -0.554 0.000 2.553 173 K HA 0.608 4.927 4.320 -0.000 0.000 0.250 173 K C -1.885 174.631 176.600 -0.141 0.000 0.953 173 K CA -0.501 55.589 56.287 -0.328 0.000 0.800 173 K CB 1.445 33.768 32.500 -0.295 0.000 1.243 173 K HN 0.569 nan 8.250 nan 0.000 0.435 174 I N 5.624 126.148 120.570 -0.076 0.000 2.331 174 I HA 0.333 4.503 4.170 -0.000 0.000 0.292 174 I C -0.221 175.940 176.117 0.074 0.000 0.998 174 I CA -0.751 60.563 61.300 0.024 0.000 1.267 174 I CB 1.213 39.207 38.000 -0.009 0.000 1.386 174 I HN 0.451 nan 8.210 nan 0.000 0.476 175 I N 8.329 128.993 120.570 0.157 0.000 2.502 175 I HA 0.251 4.421 4.170 -0.000 0.000 0.276 175 I C -1.841 174.366 176.117 0.150 0.000 1.057 175 I CA -1.501 59.868 61.300 0.114 0.000 1.163 175 I CB 1.210 39.247 38.000 0.061 0.000 1.288 175 I HN 0.346 nan 8.210 nan 0.000 0.479 176 P HA -0.156 nan 4.420 nan 0.000 0.216 176 P C 0.829 178.089 177.300 -0.066 0.000 1.153 176 P CA 1.341 64.480 63.100 0.065 0.000 0.848 176 P CB 0.185 31.931 31.700 0.076 0.000 0.787 177 E N -0.319 119.865 120.200 -0.027 0.000 2.516 177 E HA -0.090 4.260 4.350 -0.000 0.000 0.199 177 E C 1.051 177.626 176.600 -0.042 0.000 1.069 177 E CA 0.727 57.103 56.400 -0.041 0.000 0.876 177 E CB -0.756 28.932 29.700 -0.020 0.000 0.843 177 E HN 0.451 nan 8.360 nan 0.000 0.530 178 E N 0.231 120.412 120.200 -0.032 0.000 2.583 178 E HA 0.138 4.488 4.350 -0.000 0.000 0.213 178 E C -0.433 176.159 176.600 -0.013 0.000 0.989 178 E CA -0.322 56.072 56.400 -0.009 0.000 0.991 178 E CB 0.267 29.982 29.700 0.025 0.000 1.040 178 E HN 0.042 nan 8.360 nan 0.000 0.481 179 N N 2.135 120.747 118.700 -0.147 0.000 2.716 179 N HA -0.211 4.529 4.740 -0.000 0.000 0.250 179 N C -0.679 174.989 175.510 0.263 0.000 1.033 179 N CA 1.180 54.029 53.050 -0.334 0.000 0.727 179 N CB -0.903 37.463 38.487 -0.202 0.000 0.950 179 N HN 0.246 nan 8.380 nan 0.000 0.541 180 K N 0.259 120.899 120.400 0.400 0.000 2.371 180 K HA 0.661 4.980 4.320 -0.000 0.000 0.251 180 K C -0.688 176.187 176.600 0.459 0.000 0.934 180 K CA -0.624 55.915 56.287 0.420 0.000 0.798 180 K CB 1.385 34.002 32.500 0.196 0.000 1.204 180 K HN 0.074 nan 8.250 nan 0.000 0.427 181 I N 5.675 126.479 120.570 0.389 0.000 2.498 181 I HA 0.416 4.586 4.170 -0.000 0.000 0.290 181 I C -0.341 175.882 176.117 0.177 0.000 1.032 181 I CA -0.958 60.493 61.300 0.253 0.000 1.073 181 I CB 1.771 39.948 38.000 0.295 0.000 1.251 181 I HN 0.589 nan 8.210 nan 0.000 0.426 182 I N 2.305 122.882 120.570 0.012 0.000 2.846 182 I HA 1.078 5.248 4.170 -0.000 0.000 0.307 182 I C -0.184 175.733 176.117 -0.333 0.000 1.053 182 I CA -0.388 60.839 61.300 -0.122 0.000 1.050 182 I CB 2.385 40.226 38.000 -0.265 0.000 1.239 182 I HN 0.619 nan 8.210 nan 0.000 0.439 183 G N 2.099 110.493 108.800 -0.676 0.000 2.441 183 G HA2 0.520 4.480 3.960 -0.000 0.000 0.294 183 G HA3 0.520 4.480 3.960 -0.000 0.000 0.294 183 G C -2.178 172.186 174.900 -0.894 0.000 1.393 183 G CA -0.585 44.040 45.100 -0.792 0.000 0.796 183 G HN 1.052 nan 8.290 nan 0.000 0.494 184 Y N -1.513 118.595 120.300 -0.319 0.000 2.545 184 Y HA 0.871 5.421 4.550 -0.000 0.000 0.348 184 Y C -0.326 175.574 175.900 -0.001 0.000 1.002 184 Y CA -1.351 56.552 58.100 -0.328 0.000 1.039 184 Y CB 1.924 40.071 38.460 -0.521 0.000 1.271 184 Y HN 0.728 nan 8.280 nan 0.000 0.467 185 T N 0.499 115.224 114.554 0.284 0.000 2.863 185 T HA 0.493 4.843 4.350 -0.000 0.000 0.285 185 T C 0.331 175.134 174.700 0.171 0.000 1.009 185 T CA 0.142 62.412 62.100 0.283 0.000 0.989 185 T CB 1.189 70.229 68.868 0.286 0.000 1.004 185 T HN 1.097 nan 8.240 nan 0.000 0.455 186 T N 1.106 115.806 114.554 0.244 0.000 2.975 186 T HA 0.297 4.647 4.350 -0.000 0.000 0.261 186 T C 0.831 175.792 174.700 0.434 0.000 0.984 186 T CA -0.396 61.873 62.100 0.282 0.000 0.911 186 T CB -0.112 68.889 68.868 0.221 0.000 1.127 186 T HN 0.622 nan 8.240 nan 0.000 0.514 187 R N 2.814 123.512 120.500 0.331 0.000 2.486 187 R HA 0.169 4.509 4.340 -0.000 0.000 0.303 187 R C -0.318 176.162 176.300 0.300 0.000 0.958 187 R CA 0.671 56.940 56.100 0.282 0.000 1.077 187 R CB -0.058 30.408 30.300 0.277 0.000 0.921 187 R HN 0.775 nan 8.270 nan 0.000 0.406 188 N N 0.455 119.278 118.700 0.205 0.000 3.157 188 N HA 0.255 4.994 4.740 -0.000 0.000 0.291 188 N C -1.160 174.390 175.510 0.066 0.000 1.515 188 N CA -0.998 52.131 53.050 0.131 0.000 0.807 188 N CB 1.703 40.149 38.487 -0.068 0.000 1.672 188 N HN 0.212 nan 8.380 nan 0.000 0.592 189 S N -1.433 114.279 115.700 0.021 0.000 2.754 189 S HA 0.659 5.128 4.470 -0.000 0.000 0.247 189 S C 0.255 174.824 174.600 -0.051 0.000 1.031 189 S CA -0.112 58.090 58.200 0.002 0.000 1.014 189 S CB -0.268 62.943 63.200 0.017 0.000 0.918 189 S HN 1.103 nan 8.310 nan 0.000 0.519 190 G N 0.403 109.145 108.800 -0.096 0.000 2.525 190 G HA2 0.388 4.348 3.960 -0.000 0.000 0.685 190 G HA3 0.388 4.348 3.960 -0.000 0.000 0.685 190 G C 0.329 175.106 174.900 -0.205 0.000 1.290 190 G CA -0.372 44.656 45.100 -0.120 0.000 0.915 190 G HN 1.216 nan 8.290 nan 0.000 0.548 191 G N -2.282 106.408 108.800 -0.184 0.000 2.246 191 G HA2 0.285 4.244 3.960 -0.000 0.000 0.273 191 G HA3 0.285 4.244 3.960 -0.000 0.000 0.273 191 G C 0.803 175.489 174.900 -0.357 0.000 1.055 191 G CA 1.471 46.428 45.100 -0.238 0.000 0.851 191 G HN 2.433 nan 8.290 nan 0.000 0.500 192 V N -3.620 116.112 119.914 -0.303 0.000 2.914 192 V HA 0.949 5.069 4.120 -0.000 0.000 0.314 192 V C -1.876 174.161 176.094 -0.096 0.000 1.084 192 V CA -2.649 59.465 62.300 -0.310 0.000 0.963 192 V CB 1.818 33.304 31.823 -0.562 0.000 1.025 192 V HN 0.083 nan 8.190 nan 0.000 0.432 193 P HA 0.452 nan 4.420 nan 0.000 0.274 193 P C 1.100 178.486 177.300 0.144 0.000 1.246 193 P CA 0.447 63.601 63.100 0.089 0.000 0.795 193 P CB 0.608 32.386 31.700 0.130 0.000 1.006 194 E N 1.544 121.811 120.200 0.111 0.000 2.130 194 E HA -0.256 4.094 4.350 -0.000 0.000 0.196 194 E C 1.212 177.886 176.600 0.123 0.000 0.998 194 E CA 1.847 58.309 56.400 0.104 0.000 0.806 194 E CB -1.391 28.353 29.700 0.074 0.000 0.738 194 E HN 0.713 nan 8.360 nan 0.000 0.459 195 N N -0.261 118.527 118.700 0.146 0.000 2.434 195 N HA 0.039 4.778 4.740 -0.000 0.000 0.196 195 N C 0.112 175.670 175.510 0.081 0.000 1.183 195 N CA -0.358 52.755 53.050 0.105 0.000 0.849 195 N CB -0.909 37.653 38.487 0.123 0.000 0.992 195 N HN 0.379 nan 8.380 nan 0.000 0.460 196 F N 2.178 122.141 119.950 0.021 0.000 2.602 196 F HA 0.193 4.720 4.527 -0.000 0.000 0.385 196 F C 0.023 175.698 175.800 -0.207 0.000 1.063 196 F CA 0.142 58.109 58.000 -0.054 0.000 1.233 196 F CB 0.357 39.379 39.000 0.037 0.000 1.067 196 F HN -0.068 nan 8.300 nan 0.000 0.564 197 K N 5.286 124.940 120.400 -1.244 0.000 2.543 197 K HA 0.174 4.494 4.320 -0.000 0.000 0.255 197 K C -1.379 174.488 176.600 -1.222 0.000 0.934 197 K CA -0.995 54.511 56.287 -1.302 0.000 0.810 197 K CB 1.834 33.463 32.500 -1.453 0.000 1.315 197 K HN 0.653 nan 8.250 nan 0.000 0.433 198 N N 3.046 121.208 118.700 -0.896 0.000 2.444 198 N HA 0.227 4.967 4.740 -0.000 0.000 0.262 198 N C -1.379 173.850 175.510 -0.468 0.000 0.974 198 N CA -0.336 52.360 53.050 -0.591 0.000 0.933 198 N CB 0.641 38.954 38.487 -0.290 0.000 1.137 198 N HN 0.405 nan 8.380 nan 0.000 0.498 199 Y N 3.889 123.944 120.300 -0.409 0.000 2.327 199 Y HA 0.325 4.874 4.550 -0.000 0.000 0.336 199 Y C 0.073 175.845 175.900 -0.213 0.000 1.035 199 Y CA -0.737 57.067 58.100 -0.493 0.000 1.165 199 Y CB 0.507 38.461 38.460 -0.842 0.000 1.181 199 Y HN 0.315 nan 8.280 nan 0.000 0.494 200 F N 1.352 121.313 119.950 0.019 0.000 2.577 200 F HA 0.904 5.431 4.527 -0.000 0.000 0.318 200 F C -1.410 174.482 175.800 0.154 0.000 1.065 200 F CA -2.021 55.967 58.000 -0.020 0.000 0.929 200 F CB 1.176 39.857 39.000 -0.531 0.000 1.237 200 F HN 0.206 nan 8.300 nan 0.000 0.468 201 I N 3.342 124.141 120.570 0.382 0.000 2.582 201 I HA 0.487 4.657 4.170 -0.000 0.000 0.292 201 I C -1.080 175.212 176.117 0.292 0.000 1.066 201 I CA -0.737 60.735 61.300 0.288 0.000 1.053 201 I CB 2.360 40.486 38.000 0.211 0.000 1.241 201 I HN 0.575 nan 8.210 nan 0.000 0.421 202 I N 5.329 126.047 120.570 0.246 0.000 2.439 202 I HA 0.336 4.505 4.170 -0.000 0.000 0.285 202 I C -0.715 175.429 176.117 0.045 0.000 1.021 202 I CA -0.463 60.912 61.300 0.125 0.000 1.091 202 I CB 1.712 39.796 38.000 0.140 0.000 1.242 202 I HN 0.529 nan 8.210 nan 0.000 0.439 203 E N 6.056 126.231 120.200 -0.043 0.000 2.145 203 E HA 0.500 4.850 4.350 -0.000 0.000 0.270 203 E C -1.292 175.262 176.600 -0.078 0.000 0.906 203 E CA -0.575 55.839 56.400 0.024 0.000 0.761 203 E CB 1.823 31.557 29.700 0.056 0.000 1.116 203 E HN 0.283 nan 8.360 nan 0.000 0.408 204 F N 1.772 121.868 119.950 0.244 0.000 2.399 204 F HA 0.137 4.664 4.527 -0.000 0.000 0.328 204 F C 1.282 177.151 175.800 0.116 0.000 1.084 204 F CA -0.761 57.389 58.000 0.251 0.000 1.053 204 F CB 0.970 40.240 39.000 0.451 0.000 1.209 204 F HN 0.450 nan 8.300 nan 0.000 0.502 205 D N 0.674 121.246 120.400 0.287 0.000 2.460 205 D HA 0.069 4.709 4.640 -0.000 0.000 0.229 205 D C -0.224 176.112 176.300 0.061 0.000 1.170 205 D CA 0.064 54.140 54.000 0.127 0.000 0.827 205 D CB 0.085 40.934 40.800 0.083 0.000 0.973 205 D HN 0.139 nan 8.370 nan 0.000 0.496 206 K N 1.061 121.505 120.400 0.072 0.000 2.535 206 K HA 0.362 4.682 4.320 -0.000 0.000 0.251 206 K C -3.140 173.425 176.600 -0.059 0.000 0.942 206 K CA -1.719 54.516 56.287 -0.085 0.000 0.798 206 K CB 2.634 34.919 32.500 -0.359 0.000 1.267 206 K HN -0.126 nan 8.250 nan 0.000 0.434 207 P HA 0.160 nan 4.420 nan 0.000 0.271 207 P C -0.604 176.758 177.300 0.104 0.000 1.218 207 P CA -0.195 62.820 63.100 -0.141 0.000 0.780 207 P CB 0.169 31.821 31.700 -0.080 0.000 0.901 208 F N 0.728 120.736 119.950 0.097 0.000 2.434 208 F HA 0.185 4.712 4.527 -0.000 0.000 0.358 208 F C 1.780 177.617 175.800 0.062 0.000 1.136 208 F CA -0.093 57.955 58.000 0.081 0.000 1.157 208 F CB -0.560 38.446 39.000 0.010 0.000 1.167 208 F HN 0.202 nan 8.300 nan 0.000 0.539 209 T N 2.065 116.781 114.554 0.270 0.000 3.054 209 T HA -0.048 4.302 4.350 -0.000 0.000 0.259 209 T C -0.346 174.461 174.700 0.179 0.000 1.092 209 T CA 0.872 63.073 62.100 0.169 0.000 1.121 209 T CB -0.236 68.712 68.868 0.133 0.000 0.912 209 T HN 0.425 nan 8.240 nan 0.000 0.489 210 Y N 2.450 122.774 120.300 0.040 0.000 2.446 210 Y HA 0.543 5.093 4.550 -0.000 0.000 0.345 210 Y C -0.913 174.980 175.900 -0.012 0.000 0.984 210 Y CA -1.431 56.686 58.100 0.028 0.000 1.058 210 Y CB 1.021 39.523 38.460 0.070 0.000 1.220 210 Y HN -0.060 nan 8.280 nan 0.000 0.455 211 K N 4.210 124.247 120.400 -0.605 0.000 2.543 211 K HA 0.935 5.255 4.320 -0.000 0.000 0.255 211 K C -2.224 174.011 176.600 -0.607 0.000 0.934 211 K CA -1.030 54.983 56.287 -0.457 0.000 0.810 211 K CB 1.970 34.355 32.500 -0.192 0.000 1.315 211 K HN 0.773 nan 8.250 nan 0.000 0.433 212 A N 1.376 123.967 122.820 -0.381 0.000 2.566 212 A HA 0.648 4.968 4.320 -0.000 0.000 0.297 212 A C -0.748 176.728 177.584 -0.179 0.000 1.059 212 A CA -0.710 51.164 52.037 -0.271 0.000 0.691 212 A CB 1.600 20.473 19.000 -0.210 0.000 1.282 212 A HN 0.817 nan 8.150 nan 0.000 0.401 213 T N -0.956 113.494 114.554 -0.173 0.000 2.944 213 T HA 0.752 5.102 4.350 -0.000 0.000 0.284 213 T C -0.277 174.288 174.700 -0.224 0.000 1.010 213 T CA -0.706 61.284 62.100 -0.182 0.000 1.025 213 T CB 1.432 70.200 68.868 -0.168 0.000 1.079 213 T HN 0.981 nan 8.240 nan 0.000 0.516 214 V N 1.660 121.385 119.914 -0.316 0.000 2.540 214 V HA 0.605 4.725 4.120 -0.000 0.000 0.302 214 V C -0.398 175.474 176.094 -0.370 0.000 1.035 214 V CA -0.777 61.256 62.300 -0.446 0.000 0.873 214 V CB 1.571 32.830 31.823 -0.939 0.000 0.992 214 V HN 1.049 nan 8.190 nan 0.000 0.428 215 E N 5.092 125.130 120.200 -0.270 0.000 2.235 215 E HA 0.254 4.604 4.350 -0.000 0.000 0.252 215 E C -0.586 175.927 176.600 -0.146 0.000 0.886 215 E CA -0.602 55.695 56.400 -0.172 0.000 0.767 215 E CB 0.855 30.492 29.700 -0.105 0.000 1.205 215 E HN 0.705 nan 8.360 nan 0.000 0.421 216 N N 3.778 122.401 118.700 -0.129 0.000 2.696 216 N HA -0.222 4.518 4.740 -0.000 0.000 0.256 216 N C 0.836 176.287 175.510 -0.099 0.000 1.031 216 N CA 1.542 54.553 53.050 -0.066 0.000 0.730 216 N CB -1.649 36.837 38.487 -0.002 0.000 0.894 216 N HN 0.981 nan 8.380 nan 0.000 0.544 217 G N -1.479 107.209 108.800 -0.187 0.000 2.234 217 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.260 217 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.260 217 G C 0.029 174.857 174.900 -0.121 0.000 0.987 217 G CA 0.379 45.415 45.100 -0.107 0.000 0.625 217 G HN 0.553 nan 8.290 nan 0.000 0.532 218 N N 0.731 119.344 118.700 -0.145 0.000 2.414 218 N HA 0.545 5.284 4.740 -0.000 0.000 0.256 218 N C -0.091 175.329 175.510 -0.150 0.000 1.029 218 N CA -0.450 52.529 53.050 -0.118 0.000 0.948 218 N CB 1.249 39.683 38.487 -0.089 0.000 1.102 218 N HN 0.207 nan 8.380 nan 0.000 0.496 219 L N 2.458 123.610 121.223 -0.118 0.000 2.416 219 L HA 0.154 4.494 4.340 -0.000 0.000 0.272 219 L C 0.077 176.890 176.870 -0.096 0.000 1.161 219 L CA 0.552 55.326 54.840 -0.110 0.000 0.845 219 L CB 0.299 42.320 42.059 -0.062 0.000 1.119 219 L HN 0.455 nan 8.230 nan 0.000 0.464 220 Q N 4.354 124.086 119.800 -0.113 0.000 2.771 220 Q HA 0.189 4.528 4.340 -0.000 0.000 0.247 220 Q C -0.651 175.272 176.000 -0.128 0.000 0.986 220 Q CA -0.373 55.367 55.803 -0.105 0.000 0.713 220 Q CB 1.275 29.950 28.738 -0.106 0.000 1.241 220 Q HN 0.603 nan 8.270 nan 0.000 0.488 221 E N 2.475 122.598 120.200 -0.128 0.000 2.452 221 E HA -0.085 4.265 4.350 -0.000 0.000 0.261 221 E C 0.081 176.578 176.600 -0.172 0.000 0.987 221 E CA 0.318 56.597 56.400 -0.202 0.000 0.926 221 E CB 0.338 29.936 29.700 -0.170 0.000 0.934 221 E HN 0.398 nan 8.360 nan 0.000 0.452 222 N N 1.368 119.943 118.700 -0.209 0.000 2.713 222 N HA -0.183 4.557 4.740 -0.000 0.000 0.251 222 N C -1.085 174.366 175.510 -0.100 0.000 1.117 222 N CA 0.911 53.877 53.050 -0.139 0.000 0.770 222 N CB -1.316 37.107 38.487 -0.105 0.000 1.137 222 N HN 0.180 nan 8.380 nan 0.000 0.566 223 V N 0.843 120.692 119.914 -0.108 0.000 2.385 223 V HA 0.451 4.571 4.120 -0.000 0.000 0.269 223 V C 1.660 177.700 176.094 -0.090 0.000 1.043 223 V CA 0.279 62.528 62.300 -0.086 0.000 0.906 223 V CB 1.306 33.079 31.823 -0.083 0.000 0.995 223 V HN 0.357 nan 8.190 nan 0.000 0.467 224 A N 4.506 127.285 122.820 -0.068 0.000 1.969 224 A HA 0.011 4.331 4.320 -0.000 0.000 0.218 224 A C 0.868 178.397 177.584 -0.090 0.000 1.169 224 A CA 1.092 53.091 52.037 -0.064 0.000 0.635 224 A CB 0.024 19.002 19.000 -0.036 0.000 0.810 224 A HN 0.779 nan 8.150 nan 0.000 0.445 225 E N -0.871 119.277 120.200 -0.087 0.000 2.356 225 E HA 0.454 4.803 4.350 -0.000 0.000 0.275 225 E C -1.444 175.098 176.600 -0.096 0.000 0.904 225 E CA -0.718 55.615 56.400 -0.111 0.000 0.757 225 E CB 1.544 31.234 29.700 -0.017 0.000 1.232 225 E HN 0.248 nan 8.360 nan 0.000 0.442 226 Q N 0.990 120.705 119.800 -0.140 0.000 2.359 226 Q HA 0.439 4.779 4.340 -0.000 0.000 0.274 226 Q C -1.213 174.801 176.000 0.023 0.000 1.074 226 Q CA -0.613 55.151 55.803 -0.064 0.000 0.810 226 Q CB 2.510 31.189 28.738 -0.099 0.000 1.342 226 Q HN 0.429 nan 8.270 nan 0.000 0.427 227 T N 1.559 116.173 114.554 0.099 0.000 2.892 227 T HA 0.610 4.959 4.350 -0.000 0.000 0.311 227 T C -0.460 174.289 174.700 0.081 0.000 1.033 227 T CA -0.285 61.903 62.100 0.147 0.000 0.991 227 T CB 1.191 70.161 68.868 0.170 0.000 0.981 227 T HN 0.572 nan 8.240 nan 0.000 0.457 228 T N 1.072 115.669 114.554 0.071 0.000 2.693 228 T HA 0.271 4.620 4.350 -0.000 0.000 0.304 228 T C 0.492 175.246 174.700 0.090 0.000 1.471 228 T CA -0.395 61.744 62.100 0.064 0.000 0.993 228 T CB 1.716 70.603 68.868 0.033 0.000 1.554 228 T HN 0.468 nan 8.240 nan 0.000 0.496 229 D N 0.197 120.654 120.400 0.094 0.000 2.092 229 D HA -0.103 4.537 4.640 -0.000 0.000 0.193 229 D C 0.666 177.060 176.300 0.157 0.000 0.994 229 D CA 1.694 55.761 54.000 0.113 0.000 0.828 229 D CB -0.039 40.820 40.800 0.099 0.000 0.963 229 D HN 0.561 nan 8.370 nan 0.000 0.450 230 H N -0.625 118.479 119.070 0.058 0.000 2.786 230 H HA 0.595 5.150 4.556 -0.000 0.000 0.284 230 H C -1.163 174.173 175.328 0.013 0.000 1.104 230 H CA -0.932 55.163 56.048 0.078 0.000 1.339 230 H CB 0.748 30.564 29.762 0.089 0.000 1.427 230 H HN 0.196 nan 8.280 nan 0.000 0.497 231 A N 3.488 126.463 122.820 0.258 0.000 2.316 231 A HA 0.712 5.032 4.320 -0.000 0.000 0.284 231 A C 0.270 177.905 177.584 0.084 0.000 1.115 231 A CA 0.225 52.302 52.037 0.067 0.000 0.812 231 A CB 0.928 19.935 19.000 0.011 0.000 1.064 231 A HN 0.777 nan 8.150 nan 0.000 0.489 232 G N -1.193 107.503 108.800 -0.173 0.000 2.649 232 G HA2 0.792 4.752 3.960 -0.000 0.000 0.290 232 G HA3 0.792 4.752 3.960 -0.000 0.000 0.290 232 G C -1.087 173.729 174.900 -0.140 0.000 1.426 232 G CA 0.088 45.112 45.100 -0.126 0.000 0.794 232 G HN 1.803 nan 8.290 nan 0.000 0.483 233 A N -0.401 122.434 122.820 0.025 0.000 2.549 233 A HA 0.819 5.139 4.320 -0.000 0.000 0.297 233 A C -1.257 176.347 177.584 0.033 0.000 1.061 233 A CA -0.538 51.485 52.037 -0.023 0.000 0.690 233 A CB 1.292 20.280 19.000 -0.021 0.000 1.287 233 A HN 0.783 nan 8.150 nan 0.000 0.402 234 I N 2.750 123.307 120.570 -0.023 0.000 2.439 234 I HA 0.414 4.584 4.170 -0.000 0.000 0.285 234 I C -0.880 175.220 176.117 -0.029 0.000 1.021 234 I CA -0.605 60.696 61.300 0.002 0.000 1.091 234 I CB 1.678 39.698 38.000 0.033 0.000 1.242 234 I HN 0.681 nan 8.210 nan 0.000 0.439 235 I N 3.029 123.481 120.570 -0.197 0.000 2.648 235 I HA 1.046 5.215 4.170 -0.000 0.000 0.304 235 I C 0.125 176.063 176.117 -0.299 0.000 1.009 235 I CA -0.244 60.839 61.300 -0.363 0.000 1.114 235 I CB 1.940 39.258 38.000 -1.137 0.000 1.293 235 I HN 0.527 nan 8.210 nan 0.000 0.449 236 G N 3.178 111.824 108.800 -0.257 0.000 2.684 236 G HA2 0.849 4.808 3.960 -0.000 0.000 0.290 236 G HA3 0.849 4.808 3.960 -0.000 0.000 0.290 236 G C -1.484 173.063 174.900 -0.588 0.000 1.425 236 G CA -0.856 43.820 45.100 -0.707 0.000 0.822 236 G HN 0.943 nan 8.290 nan 0.000 0.482 237 F N -2.139 117.627 119.950 -0.306 0.000 2.807 237 F HA 0.616 5.143 4.527 -0.000 0.000 0.316 237 F C -0.558 175.038 175.800 -0.340 0.000 1.162 237 F CA -1.582 56.278 58.000 -0.233 0.000 0.910 237 F CB 1.297 40.193 39.000 -0.173 0.000 1.314 237 F HN 0.348 nan 8.300 nan 0.000 0.454 238 K N 1.229 121.647 120.400 0.031 0.000 2.218 238 K HA 0.573 4.893 4.320 -0.000 0.000 0.276 238 K C -0.543 176.030 176.600 -0.044 0.000 1.022 238 K CA -0.328 55.914 56.287 -0.075 0.000 0.946 238 K CB 1.556 34.004 32.500 -0.086 0.000 1.000 238 K HN 0.809 nan 8.250 nan 0.000 0.468 239 T N -0.047 114.462 114.554 -0.076 0.000 2.893 239 T HA 0.433 4.783 4.350 -0.000 0.000 0.291 239 T C -0.071 174.621 174.700 -0.014 0.000 1.028 239 T CA -1.149 60.915 62.100 -0.060 0.000 0.995 239 T CB 1.622 70.457 68.868 -0.055 0.000 1.051 239 T HN 0.420 nan 8.240 nan 0.000 0.470 240 R N 0.778 121.280 120.500 0.003 0.000 2.637 240 R HA 0.345 4.685 4.340 -0.000 0.000 0.269 240 R C 0.432 176.772 176.300 0.066 0.000 1.089 240 R CA -0.872 55.243 56.100 0.025 0.000 1.177 240 R CB 0.590 30.900 30.300 0.016 0.000 1.091 240 R HN 0.643 nan 8.270 nan 0.000 0.540 241 K N 0.880 121.318 120.400 0.063 0.000 2.453 241 K HA -0.059 4.261 4.320 -0.000 0.000 0.280 241 K C 0.473 177.126 176.600 0.090 0.000 1.045 241 K CA 1.171 57.508 56.287 0.084 0.000 1.059 241 K CB 0.137 32.675 32.500 0.065 0.000 0.901 241 K HN 0.808 nan 8.250 nan 0.000 0.475 242 G N 2.970 111.842 108.800 0.121 0.000 2.162 242 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.260 242 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.260 242 G C -0.033 174.939 174.900 0.121 0.000 0.976 242 G CA 0.492 45.660 45.100 0.114 0.000 0.655 242 G HN 0.754 nan 8.290 nan 0.000 0.533 243 E N 0.824 121.109 120.200 0.140 0.000 2.366 243 E HA 0.302 4.652 4.350 -0.000 0.000 0.266 243 E C 0.519 177.241 176.600 0.204 0.000 1.015 243 E CA -0.002 56.475 56.400 0.129 0.000 0.906 243 E CB 0.188 29.937 29.700 0.082 0.000 0.979 243 E HN 0.540 nan 8.360 nan 0.000 0.443 244 Q N 2.627 122.514 119.800 0.145 0.000 2.257 244 Q HA 0.381 4.721 4.340 -0.000 0.000 0.255 244 Q C -1.032 175.071 176.000 0.171 0.000 0.920 244 Q CA -0.723 55.179 55.803 0.165 0.000 0.927 244 Q CB 2.167 30.962 28.738 0.095 0.000 1.229 244 Q HN 0.304 nan 8.270 nan 0.000 0.433 245 V N 3.493 123.582 119.914 0.291 0.000 2.444 245 V HA 0.288 4.408 4.120 -0.000 0.000 0.294 245 V C -0.377 175.913 176.094 0.326 0.000 1.022 245 V CA -0.901 61.587 62.300 0.312 0.000 0.850 245 V CB 1.670 33.776 31.823 0.473 0.000 0.992 245 V HN 0.754 nan 8.190 nan 0.000 0.426 246 N N 3.130 121.958 118.700 0.214 0.000 2.473 246 N HA 0.718 5.457 4.740 -0.000 0.000 0.291 246 N C -0.439 175.155 175.510 0.139 0.000 1.083 246 N CA -0.268 52.847 53.050 0.108 0.000 0.951 246 N CB 2.457 40.967 38.487 0.038 0.000 1.164 246 N HN 0.772 nan 8.380 nan 0.000 0.480 247 A N 2.518 125.343 122.820 0.009 0.000 2.340 247 A HA 0.436 4.756 4.320 -0.000 0.000 0.297 247 A C -0.284 177.245 177.584 -0.092 0.000 1.195 247 A CA -0.744 51.200 52.037 -0.154 0.000 0.769 247 A CB 0.715 19.573 19.000 -0.236 0.000 1.163 247 A HN 0.591 nan 8.150 nan 0.000 0.472 248 R N 1.858 122.306 120.500 -0.086 0.000 2.265 248 R HA 0.612 4.951 4.340 -0.000 0.000 0.314 248 R C -0.833 175.476 176.300 0.015 0.000 1.053 248 R CA 0.189 56.273 56.100 -0.027 0.000 0.931 248 R CB 0.852 31.150 30.300 -0.002 0.000 1.024 248 R HN 0.664 nan 8.270 nan 0.000 0.457 249 I N 1.693 122.300 120.570 0.062 0.000 2.582 249 I HA 0.645 4.815 4.170 -0.000 0.000 0.292 249 I C -0.444 175.817 176.117 0.240 0.000 1.066 249 I CA -0.919 60.492 61.300 0.185 0.000 1.053 249 I CB 2.196 40.350 38.000 0.256 0.000 1.241 249 I HN 0.644 nan 8.210 nan 0.000 0.421 250 A N 3.834 126.840 122.820 0.311 0.000 2.556 250 A HA 0.924 5.243 4.320 -0.000 0.000 0.294 250 A C -0.745 177.048 177.584 0.348 0.000 1.091 250 A CA -0.483 51.736 52.037 0.304 0.000 0.704 250 A CB 2.143 21.260 19.000 0.195 0.000 1.300 250 A HN 0.763 nan 8.150 nan 0.000 0.406 251 S N -0.282 115.585 115.700 0.279 0.000 2.651 251 S HA 0.910 5.380 4.470 -0.000 0.000 0.279 251 S C -0.569 174.031 174.600 0.000 0.000 1.148 251 S CA -0.077 58.229 58.200 0.176 0.000 0.837 251 S CB 1.628 64.968 63.200 0.232 0.000 1.138 251 S HN 2.053 nan 8.310 nan 0.000 0.478 252 S N -0.626 114.992 115.700 -0.137 0.000 2.550 252 S HA 0.646 5.116 4.470 -0.000 0.000 0.270 252 S C -1.150 173.238 174.600 -0.353 0.000 1.145 252 S CA -0.734 57.349 58.200 -0.194 0.000 0.852 252 S CB 0.763 63.921 63.200 -0.070 0.000 1.119 252 S HN 0.633 nan 8.310 nan 0.000 0.465 253 F N 2.160 122.064 119.950 -0.076 0.000 2.727 253 F HA 0.420 4.946 4.527 -0.000 0.000 0.302 253 F C 1.338 177.066 175.800 -0.119 0.000 1.097 253 F CA 0.000 57.888 58.000 -0.187 0.000 1.330 253 F CB 0.062 38.913 39.000 -0.248 0.000 1.084 253 F HN 0.417 nan 8.300 nan 0.000 0.578 254 I N -1.280 119.338 120.570 0.079 0.000 2.726 254 I HA 0.051 4.221 4.170 -0.000 0.000 0.243 254 I C 0.783 176.723 176.117 -0.295 0.000 1.082 254 I CA 0.519 61.826 61.300 0.012 0.000 1.447 254 I CB 0.045 38.060 38.000 0.025 0.000 1.250 254 I HN 0.056 nan 8.210 nan 0.000 0.453 255 S N -1.743 113.600 115.700 -0.595 0.000 2.615 255 S HA 0.298 4.768 4.470 -0.000 0.000 0.268 255 S C 0.046 174.152 174.600 -0.824 0.000 1.146 255 S CA -0.723 56.798 58.200 -1.132 0.000 0.818 255 S CB 0.495 63.386 63.200 -0.516 0.000 1.111 255 S HN 0.054 nan 8.310 nan 0.000 0.465 256 F N 1.403 120.975 119.950 -0.630 0.000 2.095 256 F HA 0.029 4.556 4.527 -0.000 0.000 0.298 256 F C 2.717 178.433 175.800 -0.140 0.000 1.104 256 F CA 1.977 59.840 58.000 -0.228 0.000 1.232 256 F CB -0.621 38.309 39.000 -0.118 0.000 0.987 256 F HN 0.944 nan 8.300 nan 0.000 0.475 257 E N 0.038 120.259 120.200 0.035 0.000 2.097 257 E HA -0.331 4.018 4.350 -0.000 0.000 0.196 257 E C 2.189 178.789 176.600 0.001 0.000 1.000 257 E CA 1.688 58.097 56.400 0.015 0.000 0.804 257 E CB -0.180 29.512 29.700 -0.014 0.000 0.740 257 E HN 0.322 nan 8.360 nan 0.000 0.454 258 Q N 0.055 119.828 119.800 -0.046 0.000 2.123 258 Q HA 0.007 4.347 4.340 -0.000 0.000 0.199 258 Q C 1.880 177.885 176.000 0.008 0.000 0.966 258 Q CA 1.662 57.452 55.803 -0.021 0.000 0.845 258 Q CB -0.437 28.275 28.738 -0.043 0.000 0.907 258 Q HN 0.367 nan 8.270 nan 0.000 0.439 259 A N 0.400 123.222 122.820 0.003 0.000 1.908 259 A HA -0.125 4.194 4.320 -0.000 0.000 0.218 259 A C 2.282 179.923 177.584 0.096 0.000 1.181 259 A CA 1.998 54.074 52.037 0.065 0.000 0.627 259 A CB -1.194 17.872 19.000 0.109 0.000 0.818 259 A HN 0.516 nan 8.150 nan 0.000 0.445 260 A N -0.374 122.501 122.820 0.091 0.000 1.930 260 A HA 0.219 4.539 4.320 -0.000 0.000 0.217 260 A C 2.482 180.105 177.584 0.066 0.000 1.175 260 A CA 1.900 53.986 52.037 0.083 0.000 0.627 260 A CB -0.927 18.117 19.000 0.072 0.000 0.815 260 A HN 1.043 nan 8.150 nan 0.000 0.443 261 A N 0.602 123.454 122.820 0.054 0.000 1.902 261 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 261 A C 1.866 179.486 177.584 0.061 0.000 1.181 261 A CA 1.819 53.886 52.037 0.051 0.000 0.623 261 A CB -0.680 18.346 19.000 0.043 0.000 0.818 261 A HN 0.526 nan 8.150 nan 0.000 0.443 262 N N -0.788 117.953 118.700 0.067 0.000 2.192 262 N HA -0.191 4.549 4.740 -0.000 0.000 0.188 262 N C 1.487 177.048 175.510 0.086 0.000 1.013 262 N CA 1.766 54.864 53.050 0.079 0.000 0.863 262 N CB -0.488 38.051 38.487 0.086 0.000 0.990 262 N HN 0.509 nan 8.380 nan 0.000 0.430 263 M N 1.253 120.906 119.600 0.087 0.000 2.202 263 M HA -0.062 4.418 4.480 -0.000 0.000 0.262 263 M C 0.919 177.257 176.300 0.062 0.000 1.063 263 M CA 1.236 56.584 55.300 0.081 0.000 1.097 263 M CB -0.238 32.410 32.600 0.081 0.000 1.382 263 M HN 0.047 nan 8.290 nan 0.000 0.413 264 N N 0.341 119.076 118.700 0.058 0.000 2.443 264 N HA -0.153 4.586 4.740 -0.000 0.000 0.184 264 N C 1.235 176.774 175.510 0.048 0.000 1.037 264 N CA 1.147 54.226 53.050 0.049 0.000 0.896 264 N CB -0.369 38.145 38.487 0.046 0.000 0.959 264 N HN 0.609 nan 8.380 nan 0.000 0.442 265 E N 0.516 120.750 120.200 0.057 0.000 2.209 265 E HA -0.112 4.238 4.350 -0.000 0.000 0.196 265 E C 1.550 178.176 176.600 0.044 0.000 0.993 265 E CA 0.577 57.011 56.400 0.056 0.000 0.819 265 E CB -0.071 29.671 29.700 0.069 0.000 0.745 265 E HN 0.406 nan 8.360 nan 0.000 0.477 266 L N -0.277 120.969 121.223 0.038 0.000 2.341 266 L HA 0.067 4.407 4.340 -0.000 0.000 0.214 266 L C 1.580 178.461 176.870 0.019 0.000 1.115 266 L CA 0.278 55.132 54.840 0.023 0.000 0.820 266 L CB -0.823 41.246 42.059 0.016 0.000 0.944 266 L HN 0.224 nan 8.230 nan 0.000 0.452 267 G N 1.295 110.109 108.800 0.024 0.000 2.596 267 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.295 267 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.295 267 G C 0.429 175.339 174.900 0.016 0.000 1.240 267 G CA 0.393 45.505 45.100 0.020 0.000 0.985 267 G HN 0.378 nan 8.290 nan 0.000 0.555 268 K N 1.154 121.561 120.400 0.011 0.000 2.699 268 K HA 0.227 4.546 4.320 -0.000 0.000 0.210 268 K C -0.634 175.968 176.600 0.003 0.000 1.076 268 K CA -0.380 55.912 56.287 0.008 0.000 1.109 268 K CB 0.555 33.060 32.500 0.008 0.000 0.862 268 K HN 0.395 nan 8.250 nan 0.000 0.470 269 D N 2.563 122.964 120.400 0.002 0.000 2.372 269 D HA 0.001 4.641 4.640 -0.000 0.000 0.243 269 D C 0.322 176.616 176.300 -0.009 0.000 1.121 269 D CA 0.148 54.146 54.000 -0.003 0.000 0.898 269 D CB 0.764 41.563 40.800 -0.002 0.000 1.202 269 D HN 0.246 nan 8.370 nan 0.000 0.428 270 N N 0.708 119.402 118.700 -0.010 0.000 2.476 270 N HA 0.116 4.856 4.740 -0.000 0.000 0.287 270 N C 1.150 176.650 175.510 -0.016 0.000 1.262 270 N CA -0.564 52.477 53.050 -0.014 0.000 0.980 270 N CB 0.681 39.161 38.487 -0.011 0.000 1.163 270 N HN 0.147 nan 8.380 nan 0.000 0.592 271 I N -0.381 120.179 120.570 -0.015 0.000 2.194 271 I HA -0.226 3.944 4.170 -0.000 0.000 0.246 271 I C 1.635 177.757 176.117 0.009 0.000 1.093 271 I CA 1.697 63.000 61.300 0.005 0.000 1.355 271 I CB -1.093 36.926 38.000 0.032 0.000 1.046 271 I HN 0.579 nan 8.210 nan 0.000 0.413 272 E N 0.611 120.799 120.200 -0.020 0.000 2.077 272 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 272 E C 2.246 178.822 176.600 -0.039 0.000 0.989 272 E CA 1.047 57.417 56.400 -0.049 0.000 0.800 272 E CB -0.235 29.433 29.700 -0.054 0.000 0.746 272 E HN 0.538 nan 8.360 nan 0.000 0.452 273 Q N -0.251 119.534 119.800 -0.024 0.000 2.083 273 Q HA 0.005 4.345 4.340 -0.000 0.000 0.198 273 Q C 2.202 178.196 176.000 -0.010 0.000 0.969 273 Q CA 0.782 56.572 55.803 -0.021 0.000 0.838 273 Q CB -0.025 28.704 28.738 -0.015 0.000 0.900 273 Q HN 0.266 nan 8.270 nan 0.000 0.436 274 L N 0.161 121.386 121.223 0.003 0.000 2.141 274 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 274 L C 2.457 179.361 176.870 0.057 0.000 1.094 274 L CA 0.744 55.597 54.840 0.022 0.000 0.763 274 L CB -0.502 41.565 42.059 0.013 0.000 0.908 274 L HN 0.220 nan 8.230 nan 0.000 0.437 275 A N -0.349 122.513 122.820 0.071 0.000 1.877 275 A HA -0.287 4.033 4.320 -0.000 0.000 0.216 275 A C 2.200 179.775 177.584 -0.015 0.000 1.186 275 A CA 1.820 53.950 52.037 0.154 0.000 0.620 275 A CB -0.544 18.516 19.000 0.100 0.000 0.822 275 A HN 0.358 nan 8.150 nan 0.000 0.443 276 Q N 0.135 119.888 119.800 -0.078 0.000 2.096 276 Q HA -0.173 4.167 4.340 -0.000 0.000 0.204 276 Q C 1.934 177.862 176.000 -0.120 0.000 0.982 276 Q CA 2.332 58.051 55.803 -0.139 0.000 0.850 276 Q CB -0.312 28.369 28.738 -0.095 0.000 0.901 276 Q HN 0.697 nan 8.270 nan 0.000 0.422 277 K N -1.275 119.094 120.400 -0.052 0.000 2.057 277 K HA -0.055 4.265 4.320 -0.000 0.000 0.207 277 K C 2.007 178.601 176.600 -0.010 0.000 1.049 277 K CA 1.089 57.361 56.287 -0.025 0.000 0.931 277 K CB -0.454 32.047 32.500 0.001 0.000 0.714 277 K HN 0.388 nan 8.250 nan 0.000 0.440 278 G N 1.717 110.537 108.800 0.033 0.000 2.418 278 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.217 278 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.217 278 G C 1.420 176.373 174.900 0.089 0.000 1.158 278 G CA 0.717 45.905 45.100 0.146 0.000 0.771 278 G HN 0.211 nan 8.290 nan 0.000 0.545 279 K N 0.274 120.469 120.400 -0.342 0.000 2.009 279 K HA -0.155 4.165 4.320 -0.000 0.000 0.210 279 K C 2.135 178.644 176.600 -0.152 0.000 1.049 279 K CA 1.742 57.664 56.287 -0.608 0.000 0.929 279 K CB -0.175 31.756 32.500 -0.948 0.000 0.714 279 K HN 0.124 nan 8.250 nan 0.000 0.440 280 D N 0.304 120.636 120.400 -0.114 0.000 2.116 280 D HA -0.198 4.441 4.640 -0.000 0.000 0.193 280 D C 1.810 178.114 176.300 0.007 0.000 0.998 280 D CA 1.570 55.550 54.000 -0.033 0.000 0.836 280 D CB -0.415 40.364 40.800 -0.036 0.000 0.951 280 D HN 0.382 nan 8.370 nan 0.000 0.449 281 A N 0.295 123.105 122.820 -0.016 0.000 1.883 281 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 281 A C 2.250 179.764 177.584 -0.117 0.000 1.186 281 A CA 1.548 53.536 52.037 -0.082 0.000 0.624 281 A CB -1.304 17.607 19.000 -0.149 0.000 0.822 281 A HN 0.322 nan 8.150 nan 0.000 0.444 282 W N 0.167 121.483 121.300 0.026 0.000 2.358 282 W HA -0.116 4.544 4.660 -0.000 0.000 0.303 282 W C 2.248 178.814 176.519 0.079 0.000 1.208 282 W CA 1.080 58.457 57.345 0.053 0.000 1.274 282 W CB -0.268 29.249 29.460 0.094 0.000 1.138 282 W HN 0.313 nan 8.180 nan 0.000 0.515 283 N N 0.300 119.175 118.700 0.292 0.000 2.223 283 N HA -0.213 4.527 4.740 -0.000 0.000 0.185 283 N C 1.607 177.246 175.510 0.216 0.000 1.016 283 N CA 1.755 54.995 53.050 0.318 0.000 0.863 283 N CB -0.712 37.942 38.487 0.278 0.000 0.983 283 N HN 0.321 nan 8.380 nan 0.000 0.429 284 Q N 1.108 120.985 119.800 0.128 0.000 2.050 284 Q HA -0.103 4.236 4.340 -0.000 0.000 0.202 284 Q C 1.902 177.951 176.000 0.083 0.000 0.980 284 Q CA 2.014 57.864 55.803 0.078 0.000 0.840 284 Q CB -0.137 28.633 28.738 0.054 0.000 0.898 284 Q HN 0.269 nan 8.270 nan 0.000 0.424 285 V N -1.907 118.068 119.914 0.101 0.000 2.649 285 V HA -0.031 4.089 4.120 -0.000 0.000 0.248 285 V C 2.230 178.455 176.094 0.217 0.000 1.054 285 V CA 1.188 63.603 62.300 0.192 0.000 1.073 285 V CB -0.713 31.121 31.823 0.017 0.000 0.699 285 V HN 0.350 nan 8.190 nan 0.000 0.463 286 L N 1.566 122.891 121.223 0.169 0.000 2.056 286 L HA 0.088 4.427 4.340 -0.000 0.000 0.207 286 L C 2.692 179.386 176.870 -0.293 0.000 1.078 286 L CA 1.632 56.545 54.840 0.122 0.000 0.749 286 L CB -1.089 41.107 42.059 0.229 0.000 0.901 286 L HN 0.501 nan 8.230 nan 0.000 0.433 287 G N -0.641 107.790 108.800 -0.615 0.000 2.708 287 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.210 287 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.210 287 G C 1.488 176.090 174.900 -0.495 0.000 1.141 287 G CA 0.064 44.414 45.100 -1.249 0.000 0.788 287 G HN 0.106 nan 8.290 nan 0.000 0.531 288 K N 0.064 120.349 120.400 -0.193 0.000 2.362 288 K HA 0.104 4.424 4.320 -0.000 0.000 0.200 288 K C 0.658 177.213 176.600 -0.074 0.000 1.046 288 K CA 0.429 56.671 56.287 -0.075 0.000 0.952 288 K CB 0.154 32.610 32.500 -0.073 0.000 0.753 288 K HN 0.387 nan 8.250 nan 0.000 0.466 289 I N 1.740 122.260 120.570 -0.083 0.000 2.476 289 I HA 0.176 4.346 4.170 -0.000 0.000 0.281 289 I C -0.715 175.374 176.117 -0.046 0.000 1.040 289 I CA -0.472 60.804 61.300 -0.039 0.000 1.094 289 I CB 1.777 39.834 38.000 0.094 0.000 1.219 289 I HN -0.154 nan 8.210 nan 0.000 0.450 290 E N 6.056 126.220 120.200 -0.060 0.000 2.151 290 E HA 0.530 4.880 4.350 -0.000 0.000 0.275 290 E C -0.744 175.793 176.600 -0.104 0.000 0.936 290 E CA -0.762 55.665 56.400 0.045 0.000 0.777 290 E CB 2.905 32.714 29.700 0.182 0.000 1.108 290 E HN 0.450 nan 8.360 nan 0.000 0.401 291 V N 0.238 120.023 119.914 -0.215 0.000 2.715 291 V HA 0.697 4.817 4.120 -0.000 0.000 0.310 291 V C -0.553 175.355 176.094 -0.309 0.000 1.054 291 V CA -0.682 61.281 62.300 -0.563 0.000 0.928 291 V CB 1.697 32.556 31.823 -1.607 0.000 1.007 291 V HN 0.838 nan 8.190 nan 0.000 0.437 292 E N 1.792 121.894 120.200 -0.164 0.000 2.449 292 E HA 0.676 5.026 4.350 -0.000 0.000 0.278 292 E C 0.274 176.994 176.600 0.201 0.000 0.992 292 E CA -0.867 55.582 56.400 0.082 0.000 0.807 292 E CB 1.594 31.326 29.700 0.052 0.000 1.350 292 E HN 2.005 nan 8.360 nan 0.000 0.462 293 G N -0.364 108.591 108.800 0.258 0.000 2.182 293 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.248 293 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.248 293 G C 0.151 175.164 174.900 0.188 0.000 1.042 293 G CA 0.128 45.344 45.100 0.193 0.000 0.775 293 G HN 0.865 nan 8.290 nan 0.000 0.501 294 G N -0.587 108.309 108.800 0.161 0.000 3.140 294 G HA2 0.764 4.724 3.960 -0.000 0.000 0.271 294 G HA3 0.764 4.724 3.960 -0.000 0.000 0.271 294 G C -0.186 174.483 174.900 -0.385 0.000 1.370 294 G CA -0.072 44.977 45.100 -0.086 0.000 1.014 294 G HN 0.985 nan 8.290 nan 0.000 0.541 295 N N -1.349 117.120 118.700 -0.384 0.000 2.458 295 N HA 0.322 5.062 4.740 -0.000 0.000 0.271 295 N C 1.064 176.313 175.510 -0.435 0.000 1.210 295 N CA -0.813 52.056 53.050 -0.302 0.000 0.978 295 N CB 1.392 39.795 38.487 -0.140 0.000 1.206 295 N HN 0.315 nan 8.380 nan 0.000 0.536 296 L N -0.055 121.089 121.223 -0.132 0.000 2.079 296 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 296 L C 1.009 177.914 176.870 0.058 0.000 1.081 296 L CA 1.908 56.784 54.840 0.061 0.000 0.752 296 L CB -0.935 41.221 42.059 0.162 0.000 0.896 296 L HN 0.603 nan 8.230 nan 0.000 0.433 297 D N -0.719 119.689 120.400 0.012 0.000 2.104 297 D HA -0.241 4.398 4.640 -0.000 0.000 0.194 297 D C 2.170 178.502 176.300 0.053 0.000 0.994 297 D CA 1.533 55.553 54.000 0.032 0.000 0.830 297 D CB -0.119 40.684 40.800 0.006 0.000 0.959 297 D HN 0.542 nan 8.370 nan 0.000 0.452 298 Q N -0.787 119.013 119.800 -0.001 0.000 2.079 298 Q HA -0.147 4.193 4.340 -0.000 0.000 0.200 298 Q C 2.153 178.335 176.000 0.303 0.000 0.974 298 Q CA 0.861 56.729 55.803 0.107 0.000 0.840 298 Q CB -0.122 28.591 28.738 -0.041 0.000 0.898 298 Q HN 0.366 nan 8.270 nan 0.000 0.430 299 Y N 0.734 121.136 120.300 0.170 0.000 2.128 299 Y HA -0.220 4.330 4.550 -0.000 0.000 0.284 299 Y C 2.295 178.292 175.900 0.163 0.000 1.154 299 Y CA 1.162 59.247 58.100 -0.024 0.000 1.149 299 Y CB -0.515 37.587 38.460 -0.596 0.000 0.976 299 Y HN 0.038 nan 8.280 nan 0.000 0.505 300 R N -0.706 119.993 120.500 0.331 0.000 2.083 300 R HA -0.141 4.199 4.340 -0.000 0.000 0.237 300 R C 2.203 178.642 176.300 0.232 0.000 1.137 300 R CA 2.074 58.369 56.100 0.324 0.000 0.951 300 R CB -0.881 29.558 30.300 0.231 0.000 0.851 300 R HN 0.279 nan 8.270 nan 0.000 0.434 301 T N 0.971 115.610 114.554 0.141 0.000 2.720 301 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 301 T C 1.425 176.121 174.700 -0.007 0.000 1.037 301 T CA 1.474 63.545 62.100 -0.048 0.000 1.144 301 T CB -0.348 68.406 68.868 -0.190 0.000 0.864 301 T HN 0.193 nan 8.240 nan 0.000 0.444 302 F N 0.749 120.786 119.950 0.144 0.000 2.051 302 F HA -0.104 4.423 4.527 -0.000 0.000 0.296 302 F C 1.996 177.836 175.800 0.066 0.000 1.122 302 F CA 1.205 59.338 58.000 0.220 0.000 1.201 302 F CB -0.351 38.754 39.000 0.175 0.000 0.978 302 F HN 0.095 nan 8.300 nan 0.000 0.472 303 Y N 0.090 120.645 120.300 0.425 0.000 2.439 303 Y HA -0.080 4.469 4.550 -0.000 0.000 0.292 303 Y C 2.667 178.685 175.900 0.197 0.000 1.130 303 Y CA 1.148 59.436 58.100 0.313 0.000 1.254 303 Y CB -0.920 37.818 38.460 0.465 0.000 1.000 303 Y HN 0.042 nan 8.280 nan 0.000 0.554 304 S N -1.346 114.528 115.700 0.290 0.000 2.371 304 S HA -0.171 4.298 4.470 -0.000 0.000 0.224 304 S C 2.184 176.926 174.600 0.238 0.000 1.029 304 S CA 1.229 59.566 58.200 0.229 0.000 0.978 304 S CB -0.711 62.571 63.200 0.137 0.000 0.833 304 S HN 0.524 nan 8.310 nan 0.000 0.466 305 C N 1.143 120.516 119.300 0.121 0.000 2.422 305 C HA 0.042 4.502 4.460 -0.000 0.000 0.279 305 C C 2.466 177.492 174.990 0.061 0.000 1.305 305 C CA 0.330 59.423 59.018 0.126 0.000 1.757 305 C CB -1.265 26.520 27.740 0.073 0.000 1.962 305 C HN 0.464 nan 8.230 nan 0.000 0.499 306 L N 0.320 121.535 121.223 -0.013 0.000 2.027 306 L HA -0.088 4.252 4.340 -0.000 0.000 0.206 306 L C 2.340 179.283 176.870 0.123 0.000 1.074 306 L CA 1.916 56.756 54.840 0.000 0.000 0.745 306 L CB -1.487 40.569 42.059 -0.006 0.000 0.898 306 L HN 0.523 nan 8.230 nan 0.000 0.433 307 Y N 0.575 120.912 120.300 0.060 0.000 2.069 307 Y HA -0.320 4.230 4.550 -0.000 0.000 0.278 307 Y C 2.484 178.372 175.900 -0.020 0.000 1.175 307 Y CA 2.058 60.140 58.100 -0.031 0.000 1.134 307 Y CB -0.391 37.928 38.460 -0.235 0.000 0.965 307 Y HN 0.116 nan 8.280 nan 0.000 0.498 308 R N 0.222 120.560 120.500 -0.270 0.000 2.193 308 R HA -0.074 4.266 4.340 -0.000 0.000 0.229 308 R C 2.188 178.424 176.300 -0.107 0.000 1.110 308 R CA 1.182 57.110 56.100 -0.287 0.000 0.988 308 R CB -0.860 29.435 30.300 -0.008 0.000 0.871 308 R HN 0.393 nan 8.270 nan 0.000 0.458 309 S N 0.636 116.309 115.700 -0.045 0.000 2.527 309 S HA 0.123 4.593 4.470 -0.000 0.000 0.222 309 S C 1.284 175.848 174.600 -0.060 0.000 0.985 309 S CA 0.372 58.574 58.200 0.004 0.000 0.921 309 S CB 0.188 63.405 63.200 0.029 0.000 0.772 309 S HN 0.200 nan 8.310 nan 0.000 0.529 310 L N 0.964 122.048 121.223 -0.231 0.000 3.141 310 L HA 0.416 4.755 4.340 -0.000 0.000 0.267 310 L C 0.590 176.903 176.870 -0.928 0.000 1.281 310 L CA 0.082 54.522 54.840 -0.667 0.000 1.037 310 L CB 0.049 41.614 42.059 -0.823 0.000 1.407 310 L HN 0.202 nan 8.230 nan 0.000 0.566 311 L N -1.412 119.547 121.223 -0.441 0.000 2.600 311 L HA 0.339 4.679 4.340 -0.000 0.000 0.213 311 L C -0.020 176.745 176.870 -0.176 0.000 1.045 311 L CA 0.312 54.926 54.840 -0.378 0.000 0.863 311 L CB 0.456 42.202 42.059 -0.523 0.000 1.189 311 L HN 0.060 nan 8.230 nan 0.000 0.484 312 F N 0.748 120.850 119.950 0.252 0.000 2.522 312 F HA 0.485 5.012 4.527 -0.000 0.000 0.324 312 F C -2.171 173.791 175.800 0.270 0.000 1.077 312 F CA -2.586 55.601 58.000 0.311 0.000 0.944 312 F CB 0.929 40.061 39.000 0.221 0.000 1.175 312 F HN -0.265 nan 8.300 nan 0.000 0.468 313 P HA 0.184 nan 4.420 nan 0.000 0.274 313 P C -1.070 176.629 177.300 0.665 0.000 1.231 313 P CA -0.620 62.831 63.100 0.584 0.000 0.790 313 P CB 0.906 32.913 31.700 0.512 0.000 0.951 314 R N 1.338 122.171 120.500 0.555 0.000 2.490 314 R HA 0.324 4.664 4.340 -0.000 0.000 0.278 314 R C -0.134 176.394 176.300 0.381 0.000 1.069 314 R CA -0.708 55.639 56.100 0.411 0.000 1.080 314 R CB 0.515 30.907 30.300 0.154 0.000 1.030 314 R HN 0.285 nan 8.270 nan 0.000 0.491 315 K N 2.038 122.526 120.400 0.147 0.000 2.484 315 K HA -0.082 4.237 4.320 -0.000 0.000 0.280 315 K C -0.511 176.009 176.600 -0.133 0.000 1.013 315 K CA 0.537 56.562 56.287 -0.437 0.000 1.029 315 K CB 0.279 32.502 32.500 -0.462 0.000 0.902 315 K HN 0.559 nan 8.250 nan 0.000 0.481 316 F N 4.223 123.996 119.950 -0.296 0.000 2.814 316 F HA 0.151 4.678 4.527 -0.000 0.000 0.326 316 F C -0.950 174.915 175.800 0.107 0.000 1.159 316 F CA -0.708 57.267 58.000 -0.041 0.000 1.234 316 F CB 0.463 39.450 39.000 -0.023 0.000 1.016 316 F HN 0.482 nan 8.300 nan 0.000 0.510 317 Y N -0.930 119.382 120.300 0.020 0.000 2.562 317 Y HA 0.826 5.376 4.550 -0.000 0.000 0.343 317 Y C -0.880 175.072 175.900 0.087 0.000 1.025 317 Y CA -1.513 56.650 58.100 0.105 0.000 1.082 317 Y CB 0.896 39.450 38.460 0.157 0.000 1.264 317 Y HN 0.057 nan 8.280 nan 0.000 0.478 318 E N 1.541 121.932 120.200 0.319 0.000 2.392 318 E HA 0.529 4.879 4.350 -0.000 0.000 0.269 318 E C -1.839 174.915 176.600 0.258 0.000 0.924 318 E CA -1.253 55.265 56.400 0.197 0.000 0.784 318 E CB 2.440 32.211 29.700 0.118 0.000 1.292 318 E HN 0.426 nan 8.360 nan 0.000 0.447 319 L N 2.433 123.766 121.223 0.182 0.000 2.282 319 L HA 0.239 4.579 4.340 -0.000 0.000 0.288 319 L C -0.137 176.791 176.870 0.096 0.000 1.033 319 L CA -0.394 54.540 54.840 0.156 0.000 0.807 319 L CB 0.615 42.766 42.059 0.154 0.000 1.209 319 L HN 0.544 nan 8.230 nan 0.000 0.423 320 D N 2.001 122.445 120.400 0.073 0.000 2.414 320 D HA 0.253 4.893 4.640 -0.000 0.000 0.251 320 D C 1.122 177.448 176.300 0.043 0.000 1.252 320 D CA -0.005 54.024 54.000 0.047 0.000 0.999 320 D CB 0.586 41.404 40.800 0.029 0.000 1.093 320 D HN 0.491 nan 8.370 nan 0.000 0.515 321 A N -0.253 122.586 122.820 0.032 0.000 2.131 321 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 321 A C 1.262 178.864 177.584 0.029 0.000 1.158 321 A CA 0.979 53.033 52.037 0.029 0.000 0.665 321 A CB -0.696 18.317 19.000 0.022 0.000 0.795 321 A HN 0.539 nan 8.150 nan 0.000 0.460 322 N N -0.882 117.835 118.700 0.028 0.000 2.238 322 N HA 0.207 4.947 4.740 -0.000 0.000 0.222 322 N C 0.946 176.477 175.510 0.035 0.000 1.133 322 N CA 0.781 53.847 53.050 0.027 0.000 0.854 322 N CB 0.554 39.052 38.487 0.018 0.000 1.041 322 N HN 0.543 nan 8.380 nan 0.000 0.510 323 G N 0.944 109.772 108.800 0.047 0.000 2.179 323 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.257 323 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.257 323 G C -0.073 174.866 174.900 0.064 0.000 1.010 323 G CA 0.128 45.267 45.100 0.065 0.000 0.736 323 G HN 0.212 nan 8.290 nan 0.000 0.513 324 Q N 0.052 119.877 119.800 0.041 0.000 2.235 324 Q HA 0.485 4.825 4.340 -0.000 0.000 0.256 324 Q C -2.371 173.628 176.000 -0.002 0.000 0.951 324 Q CA -2.109 53.695 55.803 0.003 0.000 0.890 324 Q CB 2.089 30.817 28.738 -0.016 0.000 1.279 324 Q HN 0.296 nan 8.270 nan 0.000 0.444 325 P HA 0.279 nan 4.420 nan 0.000 0.282 325 P C -0.562 176.709 177.300 -0.047 0.000 1.262 325 P CA -0.092 62.935 63.100 -0.121 0.000 0.773 325 P CB 0.464 31.770 31.700 -0.656 0.000 0.879 326 I N 1.020 121.651 120.570 0.102 0.000 3.042 326 I HA 0.704 4.874 4.170 -0.000 0.000 0.310 326 I C -0.653 175.607 176.117 0.237 0.000 1.117 326 I CA -1.078 60.275 61.300 0.089 0.000 1.003 326 I CB 2.716 40.733 38.000 0.029 0.000 1.228 326 I HN 0.394 nan 8.210 nan 0.000 0.443 327 H N 1.446 120.610 119.070 0.157 0.000 3.038 327 H HA 0.308 4.864 4.556 -0.000 0.000 0.362 327 H C -2.175 173.299 175.328 0.244 0.000 1.167 327 H CA -0.776 55.408 56.048 0.226 0.000 1.197 327 H CB 1.120 31.059 29.762 0.295 0.000 1.840 327 H HN 0.825 nan 8.280 nan 0.000 0.540 328 Y N 2.460 122.923 120.300 0.270 0.000 2.511 328 Y HA 0.195 4.745 4.550 -0.000 0.000 0.332 328 Y C 0.242 176.419 175.900 0.461 0.000 1.177 328 Y CA 0.241 58.509 58.100 0.281 0.000 1.422 328 Y CB 0.961 39.595 38.460 0.291 0.000 1.271 328 Y HN 0.664 nan 8.280 nan 0.000 0.550 329 S N 8.133 123.611 115.700 -0.370 0.000 2.422 329 S HA 0.341 4.811 4.470 -0.000 0.000 0.298 329 S C -1.829 172.412 174.600 -0.599 0.000 1.118 329 S CA -1.649 56.436 58.200 -0.192 0.000 1.083 329 S CB 0.809 64.000 63.200 -0.014 0.000 0.971 329 S HN 0.656 nan 8.310 nan 0.000 0.478 330 P HA 0.016 nan 4.420 nan 0.000 0.242 330 P C 0.063 176.957 177.300 -0.676 0.000 1.197 330 P CA 0.647 63.375 63.100 -0.619 0.000 0.765 330 P CB -0.117 31.004 31.700 -0.966 0.000 0.936 331 Y N 1.379 121.534 120.300 -0.242 0.000 2.314 331 Y HA 0.041 4.590 4.550 -0.000 0.000 0.294 331 Y C 2.088 177.927 175.900 -0.102 0.000 1.139 331 Y CA 1.233 59.228 58.100 -0.175 0.000 1.162 331 Y CB -0.782 37.584 38.460 -0.156 0.000 1.121 331 Y HN 0.076 nan 8.280 nan 0.000 0.529 332 N N -1.226 117.491 118.700 0.028 0.000 2.159 332 N HA 0.199 4.938 4.740 -0.000 0.000 0.217 332 N C 1.206 176.684 175.510 -0.054 0.000 1.223 332 N CA 0.609 53.660 53.050 0.002 0.000 0.896 332 N CB 0.663 39.161 38.487 0.018 0.000 1.064 332 N HN 0.284 nan 8.380 nan 0.000 0.518 333 G N -0.024 108.662 108.800 -0.191 0.000 2.143 333 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.248 333 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.248 333 G C -0.450 174.388 174.900 -0.104 0.000 0.991 333 G CA 0.418 45.390 45.100 -0.214 0.000 0.689 333 G HN 0.525 nan 8.290 nan 0.000 0.522 334 Q N -1.010 118.712 119.800 -0.131 0.000 2.215 334 Q HA 0.660 5.000 4.340 -0.000 0.000 0.256 334 Q C -0.063 175.908 176.000 -0.048 0.000 0.972 334 Q CA -0.931 54.849 55.803 -0.037 0.000 0.889 334 Q CB 2.510 31.228 28.738 -0.033 0.000 1.281 334 Q HN 0.156 nan 8.270 nan 0.000 0.456 335 V N 2.814 122.731 119.914 0.004 0.000 2.407 335 V HA 0.474 4.593 4.120 -0.000 0.000 0.278 335 V C -0.281 175.736 176.094 -0.127 0.000 1.037 335 V CA -0.342 61.946 62.300 -0.019 0.000 0.900 335 V CB 0.672 32.525 31.823 0.049 0.000 0.983 335 V HN 0.537 nan 8.190 nan 0.000 0.459 336 L N 5.703 126.735 121.223 -0.318 0.000 2.415 336 L HA 0.564 4.903 4.340 -0.000 0.000 0.256 336 L C -2.716 173.909 176.870 -0.409 0.000 1.010 336 L CA -2.016 52.615 54.840 -0.348 0.000 0.826 336 L CB 3.232 45.099 42.059 -0.321 0.000 1.405 336 L HN 0.385 nan 8.230 nan 0.000 0.410 337 P HA 0.328 nan 4.420 nan 0.000 0.272 337 P C 0.003 177.324 177.300 0.035 0.000 1.223 337 P CA 0.389 63.443 63.100 -0.076 0.000 0.784 337 P CB 0.806 32.478 31.700 -0.047 0.000 0.923 338 G N 0.294 109.085 108.800 -0.015 0.000 2.685 338 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.387 338 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.387 338 G C -1.252 173.627 174.900 -0.035 0.000 1.324 338 G CA -0.917 44.111 45.100 -0.119 0.000 0.878 338 G HN 0.278 nan 8.290 nan 0.000 0.527 339 Y N -0.887 119.418 120.300 0.008 0.000 2.379 339 Y HA 0.674 5.224 4.550 -0.000 0.000 0.337 339 Y C 1.006 176.901 175.900 -0.008 0.000 1.238 339 Y CA 0.354 58.417 58.100 -0.062 0.000 1.405 339 Y CB 1.426 39.916 38.460 0.050 0.000 1.310 339 Y HN 0.815 nan 8.280 nan 0.000 0.569 340 M N 3.217 122.997 119.600 0.300 0.000 2.296 340 M HA 0.443 4.922 4.480 -0.000 0.000 0.268 340 M C -2.433 174.042 176.300 0.292 0.000 1.048 340 M CA -0.798 54.618 55.300 0.194 0.000 0.966 340 M CB 0.744 33.254 32.600 -0.150 0.000 1.912 340 M HN 0.358 nan 8.290 nan 0.000 0.484 341 F N 1.238 121.367 119.950 0.298 0.000 2.579 341 F HA 0.938 5.465 4.527 -0.000 0.000 0.324 341 F C 0.500 176.424 175.800 0.207 0.000 1.058 341 F CA -0.400 57.783 58.000 0.306 0.000 0.944 341 F CB 2.486 41.659 39.000 0.289 0.000 1.245 341 F HN 0.615 nan 8.300 nan 0.000 0.477 342 T N -1.058 113.721 114.554 0.375 0.000 2.665 342 T HA 0.343 4.693 4.350 -0.000 0.000 0.303 342 T C -2.061 172.817 174.700 0.298 0.000 1.334 342 T CA -0.560 61.651 62.100 0.185 0.000 1.011 342 T CB 0.885 69.634 68.868 -0.198 0.000 1.573 342 T HN 0.618 nan 8.240 nan 0.000 0.492 343 D N 0.993 121.542 120.400 0.247 0.000 2.848 343 D HA -0.095 4.544 4.640 -0.000 0.000 0.245 343 D C -0.540 175.924 176.300 0.273 0.000 1.122 343 D CA 1.344 55.568 54.000 0.373 0.000 0.769 343 D CB -1.382 39.730 40.800 0.519 0.000 1.025 343 D HN 0.614 nan 8.370 nan 0.000 0.423 344 T N -1.153 113.401 114.554 -0.001 0.000 2.932 344 T HA 0.610 4.960 4.350 -0.000 0.000 0.318 344 T C -0.456 173.551 174.700 -1.156 0.000 1.265 344 T CA -0.022 61.853 62.100 -0.376 0.000 1.036 344 T CB 1.790 70.667 68.868 0.015 0.000 1.209 344 T HN 0.212 nan 8.240 nan 0.000 0.484 345 G N 2.583 110.374 108.800 -1.682 0.000 2.468 345 G HA2 0.535 4.495 3.960 -0.000 0.000 0.315 345 G HA3 0.535 4.495 3.960 -0.000 0.000 0.315 345 G C 0.470 175.059 174.900 -0.518 0.000 1.203 345 G CA -0.555 43.389 45.100 -1.928 0.000 0.962 345 G HN 0.605 nan 8.290 nan 0.000 0.476 346 F N 1.126 120.965 119.950 -0.185 0.000 2.216 346 F HA 0.022 4.549 4.527 -0.000 0.000 0.300 346 F C 2.067 178.034 175.800 0.278 0.000 1.085 346 F CA 0.042 58.087 58.000 0.074 0.000 1.326 346 F CB -0.447 38.578 39.000 0.041 0.000 1.027 346 F HN 0.742 nan 8.300 nan 0.000 0.497 347 W N 1.715 123.184 121.300 0.281 0.000 2.331 347 W HA -0.245 4.415 4.660 -0.000 0.000 0.291 347 W C 1.810 178.501 176.519 0.287 0.000 1.214 347 W CA 2.107 59.663 57.345 0.352 0.000 1.228 347 W CB -0.198 29.437 29.460 0.292 0.000 1.135 347 W HN -0.053 nan 8.180 nan 0.000 0.537 348 D N -1.635 118.942 120.400 0.294 0.000 2.202 348 D HA -0.092 4.548 4.640 -0.000 0.000 0.214 348 D C 2.193 178.486 176.300 -0.013 0.000 0.967 348 D CA 2.402 56.449 54.000 0.078 0.000 0.871 348 D CB -0.870 40.047 40.800 0.195 0.000 1.020 348 D HN 0.230 nan 8.370 nan 0.000 0.474 349 T N -0.539 114.114 114.554 0.165 0.000 3.081 349 T HA -0.015 4.335 4.350 -0.000 0.000 0.255 349 T C 1.961 176.845 174.700 0.307 0.000 1.113 349 T CA -0.103 62.158 62.100 0.269 0.000 1.082 349 T CB -0.720 68.428 68.868 0.467 0.000 0.939 349 T HN 0.226 nan 8.240 nan 0.000 0.506 350 F N 2.376 122.416 119.950 0.150 0.000 2.269 350 F HA 0.125 4.652 4.527 -0.000 0.000 0.301 350 F C 2.199 177.972 175.800 -0.046 0.000 1.082 350 F CA 0.253 58.248 58.000 -0.009 0.000 1.360 350 F CB -0.460 38.470 39.000 -0.115 0.000 1.041 350 F HN -0.049 nan 8.300 nan 0.000 0.512 351 R N 0.375 120.362 120.500 -0.856 0.000 2.066 351 R HA -0.068 4.272 4.340 -0.000 0.000 0.232 351 R C 1.715 177.808 176.300 -0.345 0.000 1.131 351 R CA 1.878 57.476 56.100 -0.837 0.000 0.955 351 R CB -0.664 29.189 30.300 -0.745 0.000 0.851 351 R HN 0.660 nan 8.270 nan 0.000 0.432 352 C N -3.186 116.049 119.300 -0.107 0.000 4.183 352 C HA 0.331 4.790 4.460 -0.000 0.000 0.332 352 C C 1.613 176.772 174.990 0.282 0.000 2.007 352 C CA -0.918 58.106 59.018 0.011 0.000 1.657 352 C CB -0.660 27.002 27.740 -0.130 0.000 3.022 352 C HN 0.317 nan 8.230 nan 0.000 0.579 353 L N 1.173 122.525 121.223 0.215 0.000 2.007 353 L HA 0.219 4.559 4.340 -0.000 0.000 0.205 353 L C 2.242 179.204 176.870 0.153 0.000 1.073 353 L CA 2.214 57.161 54.840 0.178 0.000 0.744 353 L CB -1.140 40.986 42.059 0.113 0.000 0.898 353 L HN 0.353 nan 8.230 nan 0.000 0.435 354 F N 0.788 120.831 119.950 0.155 0.000 2.134 354 F HA -0.100 4.427 4.527 -0.000 0.000 0.299 354 F C -0.216 175.674 175.800 0.151 0.000 1.097 354 F CA 1.471 59.547 58.000 0.127 0.000 1.264 354 F CB -2.007 37.022 39.000 0.048 0.000 1.001 354 F HN 0.203 nan 8.300 nan 0.000 0.479 355 P HA -0.219 nan 4.420 nan 0.000 0.216 355 P C 1.921 179.518 177.300 0.496 0.000 1.153 355 P CA 1.216 64.506 63.100 0.318 0.000 0.858 355 P CB -0.073 31.737 31.700 0.183 0.000 0.789 356 L N -1.057 120.467 121.223 0.501 0.000 2.079 356 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 356 L C 2.160 179.234 176.870 0.339 0.000 1.081 356 L CA 1.778 56.799 54.840 0.301 0.000 0.752 356 L CB -1.335 40.764 42.059 0.065 0.000 0.896 356 L HN -0.101 nan 8.230 nan 0.000 0.433 357 L N -0.648 120.776 121.223 0.335 0.000 2.056 357 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 357 L C 2.168 179.231 176.870 0.322 0.000 1.078 357 L CA 1.037 56.093 54.840 0.360 0.000 0.749 357 L CB -0.777 41.394 42.059 0.186 0.000 0.901 357 L HN 0.329 nan 8.230 nan 0.000 0.433 358 N N 0.002 118.883 118.700 0.300 0.000 2.364 358 N HA -0.147 4.593 4.740 -0.000 0.000 0.183 358 N C 1.665 177.433 175.510 0.430 0.000 1.022 358 N CA 1.014 54.232 53.050 0.281 0.000 0.883 358 N CB -0.005 38.578 38.487 0.161 0.000 0.965 358 N HN 0.224 nan 8.380 nan 0.000 0.438 359 L N -0.543 120.962 121.223 0.470 0.000 2.200 359 L HA 0.223 4.563 4.340 -0.000 0.000 0.200 359 L C 1.580 178.750 176.870 0.500 0.000 1.072 359 L CA 1.228 56.408 54.840 0.567 0.000 0.787 359 L CB -0.000 42.370 42.059 0.519 0.000 0.957 359 L HN -0.063 nan 8.230 nan 0.000 0.459 360 M N -1.922 117.795 119.600 0.195 0.000 2.379 360 M HA 0.226 4.705 4.480 -0.000 0.000 0.265 360 M C -0.193 175.740 176.300 -0.612 0.000 1.095 360 M CA 0.516 55.675 55.300 -0.235 0.000 1.075 360 M CB 0.147 32.420 32.600 -0.545 0.000 1.443 360 M HN 0.163 nan 8.290 nan 0.000 0.519 361 Y N -0.322 120.104 120.300 0.210 0.000 2.685 361 Y HA 0.299 4.849 4.550 -0.000 0.000 0.284 361 Y C -1.686 174.258 175.900 0.074 0.000 0.944 361 Y CA -1.787 56.394 58.100 0.134 0.000 1.107 361 Y CB -0.382 38.170 38.460 0.155 0.000 1.188 361 Y HN 0.041 nan 8.280 nan 0.000 0.635 362 P HA -0.206 nan 4.420 nan 0.000 0.218 362 P C 1.617 178.954 177.300 0.061 0.000 1.148 362 P CA 2.057 65.247 63.100 0.150 0.000 0.822 362 P CB 0.226 32.042 31.700 0.192 0.000 0.784 363 S N -0.736 114.992 115.700 0.047 0.000 2.399 363 S HA -0.094 4.375 4.470 -0.000 0.000 0.231 363 S C 2.034 176.581 174.600 -0.088 0.000 1.022 363 S CA 1.294 59.491 58.200 -0.005 0.000 0.983 363 S CB -1.734 61.478 63.200 0.020 0.000 0.803 363 S HN 0.001 nan 8.310 nan 0.000 0.480 364 V N 2.786 122.617 119.914 -0.139 0.000 2.323 364 V HA -0.099 4.021 4.120 -0.000 0.000 0.244 364 V C 2.737 178.591 176.094 -0.400 0.000 1.041 364 V CA 1.963 64.039 62.300 -0.374 0.000 1.025 364 V CB -1.236 30.151 31.823 -0.726 0.000 0.656 364 V HN 0.507 nan 8.190 nan 0.000 0.451 365 N N 0.554 119.113 118.700 -0.235 0.000 2.289 365 N HA -0.191 4.549 4.740 -0.000 0.000 0.184 365 N C 1.671 177.097 175.510 -0.141 0.000 1.016 365 N CA 1.325 54.281 53.050 -0.156 0.000 0.872 365 N CB -0.236 38.267 38.487 0.026 0.000 0.973 365 N HN 0.436 nan 8.380 nan 0.000 0.433 366 K N 1.359 121.688 120.400 -0.118 0.000 2.001 366 K HA -0.127 4.193 4.320 -0.000 0.000 0.214 366 K C 1.610 178.121 176.600 -0.148 0.000 1.050 366 K CA 1.735 57.967 56.287 -0.091 0.000 0.934 366 K CB -0.436 32.030 32.500 -0.057 0.000 0.718 366 K HN 0.295 nan 8.250 nan 0.000 0.443 367 E N -0.134 119.887 120.200 -0.299 0.000 2.097 367 E HA -0.240 4.109 4.350 -0.000 0.000 0.196 367 E C 2.136 178.592 176.600 -0.240 0.000 1.000 367 E CA 1.933 58.026 56.400 -0.512 0.000 0.804 367 E CB -0.236 29.113 29.700 -0.585 0.000 0.740 367 E HN 0.416 nan 8.360 nan 0.000 0.454 368 M N 0.322 119.618 119.600 -0.507 0.000 2.132 368 M HA -0.161 4.319 4.480 -0.000 0.000 0.263 368 M C 2.288 178.558 176.300 -0.051 0.000 1.065 368 M CA 1.124 56.113 55.300 -0.518 0.000 1.122 368 M CB -0.027 32.233 32.600 -0.567 0.000 1.365 368 M HN -0.021 nan 8.290 nan 0.000 0.411 369 Q N 0.365 120.139 119.800 -0.044 0.000 2.119 369 Q HA -0.123 4.217 4.340 -0.000 0.000 0.201 369 Q C 1.913 177.973 176.000 0.100 0.000 0.972 369 Q CA 1.182 56.990 55.803 0.009 0.000 0.847 369 Q CB -0.444 28.279 28.738 -0.025 0.000 0.903 369 Q HN 0.490 nan 8.270 nan 0.000 0.433 370 E N 0.013 120.287 120.200 0.125 0.000 2.110 370 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 370 E C 1.985 178.744 176.600 0.265 0.000 0.988 370 E CA 1.209 57.738 56.400 0.215 0.000 0.804 370 E CB -0.335 29.557 29.700 0.319 0.000 0.745 370 E HN 0.481 nan 8.360 nan 0.000 0.458 371 G N 0.941 109.929 108.800 0.314 0.000 2.408 371 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.217 371 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.217 371 G C 1.747 176.814 174.900 0.279 0.000 1.150 371 G CA 0.296 45.603 45.100 0.344 0.000 0.776 371 G HN 0.163 nan 8.290 nan 0.000 0.542 372 L N 0.511 121.906 121.223 0.287 0.000 2.056 372 L HA -0.054 4.286 4.340 -0.000 0.000 0.207 372 L C 2.793 179.930 176.870 0.444 0.000 1.078 372 L CA 0.334 55.388 54.840 0.357 0.000 0.749 372 L CB -0.410 41.812 42.059 0.273 0.000 0.901 372 L HN 0.092 nan 8.230 nan 0.000 0.433 373 I N 0.368 121.163 120.570 0.374 0.000 2.118 373 I HA -0.330 3.839 4.170 -0.000 0.000 0.241 373 I C 2.260 178.478 176.117 0.169 0.000 1.070 373 I CA 1.626 63.103 61.300 0.296 0.000 1.327 373 I CB -1.405 36.727 38.000 0.220 0.000 1.034 373 I HN 0.388 nan 8.210 nan 0.000 0.405 374 N N 0.499 119.291 118.700 0.154 0.000 2.272 374 N HA -0.134 4.606 4.740 -0.000 0.000 0.185 374 N C 1.784 177.297 175.510 0.006 0.000 1.014 374 N CA 1.616 54.726 53.050 0.099 0.000 0.870 374 N CB -0.372 38.188 38.487 0.123 0.000 0.975 374 N HN 0.413 nan 8.380 nan 0.000 0.433 375 T N 0.086 114.623 114.554 -0.029 0.000 2.777 375 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 375 T C 1.682 176.196 174.700 -0.311 0.000 1.040 375 T CA 0.771 62.668 62.100 -0.339 0.000 1.141 375 T CB -0.355 68.371 68.868 -0.235 0.000 0.868 375 T HN 0.284 nan 8.240 nan 0.000 0.444 376 Y N 2.072 122.160 120.300 -0.354 0.000 2.114 376 Y HA -0.058 4.491 4.550 -0.000 0.000 0.284 376 Y C 2.015 177.707 175.900 -0.347 0.000 1.143 376 Y CA 0.993 58.780 58.100 -0.522 0.000 1.135 376 Y CB -0.772 37.091 38.460 -0.995 0.000 0.980 376 Y HN 0.090 nan 8.280 nan 0.000 0.499 377 L N 0.069 121.067 121.223 -0.374 0.000 2.051 377 L HA -0.279 4.060 4.340 -0.000 0.000 0.214 377 L C 2.237 178.930 176.870 -0.294 0.000 1.076 377 L CA 2.175 56.800 54.840 -0.358 0.000 0.758 377 L CB -0.526 41.453 42.059 -0.132 0.000 0.890 377 L HN 0.331 nan 8.230 nan 0.000 0.433 378 E N -1.233 118.846 120.200 -0.202 0.000 2.318 378 E HA -0.077 4.273 4.350 -0.000 0.000 0.193 378 E C 1.989 178.537 176.600 -0.086 0.000 0.998 378 E CA 1.023 57.363 56.400 -0.099 0.000 0.859 378 E CB 0.259 29.970 29.700 0.018 0.000 0.812 378 E HN 0.494 nan 8.360 nan 0.000 0.492 379 S N -1.974 113.632 115.700 -0.157 0.000 2.593 379 S HA 0.304 4.774 4.470 -0.000 0.000 0.235 379 S C 1.579 176.202 174.600 0.038 0.000 1.059 379 S CA 0.394 58.609 58.200 0.024 0.000 0.953 379 S CB 1.129 64.375 63.200 0.078 0.000 0.897 379 S HN 0.278 nan 8.310 nan 0.000 0.507 380 G N 0.409 109.056 108.800 -0.255 0.000 2.213 380 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.236 380 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.236 380 G C -0.129 174.440 174.900 -0.551 0.000 0.991 380 G CA 0.168 44.963 45.100 -0.509 0.000 0.629 380 G HN 0.519 nan 8.290 nan 0.000 0.517 381 F N -0.516 119.431 119.950 -0.006 0.000 2.588 381 F HA 0.784 5.311 4.527 -0.000 0.000 0.314 381 F C 0.175 176.050 175.800 0.125 0.000 1.069 381 F CA -1.383 56.700 58.000 0.139 0.000 0.931 381 F CB 1.186 40.245 39.000 0.100 0.000 1.260 381 F HN -0.060 nan 8.300 nan 0.000 0.465 382 F N 3.094 123.278 119.950 0.390 0.000 2.406 382 F HA 0.372 4.899 4.527 -0.000 0.000 0.327 382 F C -1.856 174.144 175.800 0.334 0.000 1.153 382 F CA -1.886 56.280 58.000 0.277 0.000 1.218 382 F CB 0.100 39.185 39.000 0.142 0.000 1.215 382 F HN 0.113 nan 8.300 nan 0.000 0.570 383 P HA 0.257 nan 4.420 nan 0.000 0.283 383 P C -0.600 176.905 177.300 0.343 0.000 1.271 383 P CA -0.283 63.107 63.100 0.484 0.000 0.841 383 P CB 1.965 33.904 31.700 0.399 0.000 1.122 384 E N -0.086 120.227 120.200 0.190 0.000 2.538 384 E HA 0.084 4.434 4.350 -0.000 0.000 0.188 384 E C -0.189 176.331 176.600 -0.134 0.000 1.014 384 E CA 0.680 57.158 56.400 0.130 0.000 1.140 384 E CB -0.190 29.648 29.700 0.230 0.000 1.262 384 E HN 0.465 nan 8.360 nan 0.000 0.488 385 W N 1.228 122.527 121.300 -0.003 0.000 2.314 385 W HA 0.547 5.206 4.660 -0.000 0.000 0.310 385 W C -0.687 175.823 176.519 -0.014 0.000 1.075 385 W CA -0.325 57.002 57.345 -0.030 0.000 1.253 385 W CB 1.413 30.878 29.460 0.008 0.000 1.238 385 W HN 0.039 nan 8.180 nan 0.000 0.440 386 A N 3.338 126.349 122.820 0.318 0.000 2.319 386 A HA 0.674 4.994 4.320 -0.000 0.000 0.310 386 A C -0.681 177.033 177.584 0.217 0.000 1.152 386 A CA -0.501 51.649 52.037 0.188 0.000 0.783 386 A CB 1.649 20.698 19.000 0.082 0.000 1.184 386 A HN 0.311 nan 8.150 nan 0.000 0.474 387 S N 3.979 119.699 115.700 0.034 0.000 2.417 387 S HA 0.450 4.919 4.470 -0.000 0.000 0.189 387 S C -2.421 171.955 174.600 -0.375 0.000 1.005 387 S CA -0.595 57.585 58.200 -0.034 0.000 1.116 387 S CB 1.041 64.324 63.200 0.138 0.000 1.343 387 S HN 0.499 nan 8.310 nan 0.000 0.406 388 P HA 0.221 nan 4.420 nan 0.000 0.230 388 P C 1.014 177.830 177.300 -0.806 0.000 1.168 388 P CA 0.448 63.039 63.100 -0.849 0.000 0.793 388 P CB 0.071 30.967 31.700 -1.340 0.000 0.851 389 G N -0.479 107.868 108.800 -0.755 0.000 2.641 389 G HA2 0.186 4.146 3.960 -0.000 0.000 0.239 389 G HA3 0.186 4.146 3.960 -0.000 0.000 0.239 389 G C -0.591 174.110 174.900 -0.330 0.000 1.402 389 G CA -0.352 44.258 45.100 -0.817 0.000 1.046 389 G HN 0.077 nan 8.290 nan 0.000 0.565 390 H N 0.928 119.965 119.070 -0.055 0.000 2.848 390 H HA 0.290 4.845 4.556 -0.000 0.000 0.317 390 H C 0.218 175.487 175.328 -0.099 0.000 1.046 390 H CA 0.332 56.363 56.048 -0.028 0.000 1.470 390 H CB 0.585 30.267 29.762 -0.134 0.000 1.483 390 H HN 0.109 nan 8.280 nan 0.000 0.548 391 R N 1.615 122.172 120.500 0.096 0.000 2.599 391 R HA 0.282 4.622 4.340 -0.000 0.000 0.295 391 R C 0.377 176.681 176.300 0.007 0.000 0.963 391 R CA -0.952 55.151 56.100 0.004 0.000 0.883 391 R CB 1.941 32.217 30.300 -0.039 0.000 1.171 391 R HN 0.785 nan 8.270 nan 0.000 0.450 392 G N 1.103 109.876 108.800 -0.045 0.000 2.605 392 G HA2 0.289 4.248 3.960 -0.000 0.000 0.301 392 G HA3 0.289 4.248 3.960 -0.000 0.000 0.301 392 G C -0.394 174.470 174.900 -0.061 0.000 0.881 392 G CA -0.016 45.061 45.100 -0.039 0.000 1.553 392 G HN 0.496 nan 8.290 nan 0.000 0.483 393 C N 5.278 124.564 119.300 -0.023 0.000 3.046 393 C HA 0.645 5.105 4.460 -0.000 0.000 0.388 393 C C -0.202 174.831 174.990 0.072 0.000 1.041 393 C CA -0.594 58.378 59.018 -0.076 0.000 1.241 393 C CB 0.319 27.841 27.740 -0.364 0.000 1.638 393 C HN 0.974 nan 8.230 nan 0.000 0.539 394 M N 3.153 122.717 119.600 -0.060 0.000 7.319 394 M HA -0.119 4.361 4.480 -0.000 0.000 0.112 394 M C -0.075 176.159 176.300 -0.110 0.000 0.480 394 M CA 1.696 56.870 55.300 -0.209 0.000 1.311 394 M CB -2.089 30.388 32.600 -0.205 0.000 0.421 394 M HN 1.770 nan 8.290 nan 0.000 0.576 395 V N -3.040 116.792 119.914 -0.138 0.000 3.165 395 V HA 1.050 5.170 4.120 -0.000 0.000 0.309 395 V C 0.290 176.546 176.094 0.270 0.000 1.267 395 V CA 0.760 63.089 62.300 0.048 0.000 1.067 395 V CB 1.218 33.036 31.823 -0.007 0.000 1.082 395 V HN 2.728 nan 8.190 nan 0.000 0.451 396 G N 0.760 109.690 108.800 0.217 0.000 2.710 396 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.668 396 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.668 396 G C -0.341 174.772 174.900 0.355 0.000 1.320 396 G CA 0.179 45.449 45.100 0.283 0.000 0.860 396 G HN 1.931 nan 8.290 nan 0.000 0.538 397 N N -0.065 118.820 118.700 0.308 0.000 2.610 397 N HA 0.110 4.850 4.740 -0.000 0.000 0.307 397 N C 0.846 176.376 175.510 0.034 0.000 1.813 397 N CA -0.268 52.896 53.050 0.189 0.000 0.901 397 N CB -0.135 38.434 38.487 0.137 0.000 1.354 397 N HN 0.437 nan 8.380 nan 0.000 0.491 398 N N 0.337 119.055 118.700 0.030 0.000 2.515 398 N HA -0.096 4.643 4.740 -0.000 0.000 0.185 398 N C 1.724 177.066 175.510 -0.281 0.000 1.109 398 N CA 0.584 53.508 53.050 -0.209 0.000 0.903 398 N CB 0.248 38.554 38.487 -0.301 0.000 0.969 398 N HN 0.437 nan 8.380 nan 0.000 0.450 399 S N 1.160 116.763 115.700 -0.161 0.000 2.400 399 S HA -0.241 4.229 4.470 -0.000 0.000 0.234 399 S C 2.184 176.453 174.600 -0.551 0.000 1.049 399 S CA 1.239 59.172 58.200 -0.446 0.000 1.039 399 S CB -0.469 62.680 63.200 -0.086 0.000 0.856 399 S HN 0.368 nan 8.310 nan 0.000 0.465 400 A N 1.644 124.219 122.820 -0.407 0.000 1.883 400 A HA -0.096 4.223 4.320 -0.000 0.000 0.217 400 A C 2.487 179.787 177.584 -0.473 0.000 1.186 400 A CA 2.191 53.961 52.037 -0.445 0.000 0.624 400 A CB -1.498 17.271 19.000 -0.384 0.000 0.822 400 A HN 0.607 nan 8.150 nan 0.000 0.444 401 S N -0.575 114.845 115.700 -0.466 0.000 2.368 401 S HA -0.133 4.337 4.470 -0.000 0.000 0.225 401 S C 1.941 176.339 174.600 -0.337 0.000 1.030 401 S CA 1.433 59.408 58.200 -0.374 0.000 0.999 401 S CB -0.488 62.535 63.200 -0.295 0.000 0.844 401 S HN 0.390 nan 8.310 nan 0.000 0.459 402 I N 1.524 121.791 120.570 -0.504 0.000 2.127 402 I HA -0.172 3.998 4.170 -0.000 0.000 0.241 402 I C 2.363 178.166 176.117 -0.523 0.000 1.075 402 I CA 1.400 62.303 61.300 -0.661 0.000 1.334 402 I CB -1.514 35.725 38.000 -1.267 0.000 1.040 402 I HN 0.355 nan 8.210 nan 0.000 0.405 403 L N -0.120 120.769 121.223 -0.557 0.000 2.056 403 L HA -0.151 4.188 4.340 -0.000 0.000 0.207 403 L C 2.639 179.330 176.870 -0.298 0.000 1.078 403 L CA 0.793 55.359 54.840 -0.456 0.000 0.749 403 L CB -0.617 41.080 42.059 -0.603 0.000 0.901 403 L HN 0.009 nan 8.230 nan 0.000 0.433 404 V N -0.202 119.520 119.914 -0.319 0.000 2.307 404 V HA -0.300 3.820 4.120 -0.000 0.000 0.245 404 V C 2.131 178.128 176.094 -0.162 0.000 1.045 404 V CA 2.124 64.271 62.300 -0.256 0.000 1.024 404 V CB -0.497 31.123 31.823 -0.338 0.000 0.651 404 V HN 0.464 nan 8.190 nan 0.000 0.449 405 D N 0.080 120.379 120.400 -0.169 0.000 2.144 405 D HA -0.145 4.495 4.640 -0.000 0.000 0.199 405 D C 2.075 178.308 176.300 -0.113 0.000 0.984 405 D CA 1.397 55.321 54.000 -0.127 0.000 0.834 405 D CB -0.102 40.639 40.800 -0.099 0.000 0.955 405 D HN 0.382 nan 8.370 nan 0.000 0.465 406 A N -0.389 122.369 122.820 -0.105 0.000 1.841 406 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 406 A C 2.198 179.756 177.584 -0.044 0.000 1.199 406 A CA 1.656 53.653 52.037 -0.066 0.000 0.621 406 A CB -1.537 17.415 19.000 -0.080 0.000 0.835 406 A HN 0.477 nan 8.150 nan 0.000 0.445 407 Y N -0.055 120.162 120.300 -0.140 0.000 2.040 407 Y HA -0.303 4.247 4.550 -0.000 0.000 0.275 407 Y C 2.463 178.293 175.900 -0.118 0.000 1.171 407 Y CA 2.538 60.566 58.100 -0.119 0.000 1.123 407 Y CB -0.263 38.113 38.460 -0.140 0.000 0.963 407 Y HN 0.235 nan 8.280 nan 0.000 0.493 408 M N 0.215 119.876 119.600 0.101 0.000 2.346 408 M HA -0.205 4.275 4.480 -0.000 0.000 0.263 408 M C 1.200 177.442 176.300 -0.098 0.000 1.064 408 M CA 1.644 56.947 55.300 0.004 0.000 1.083 408 M CB -0.819 31.738 32.600 -0.073 0.000 1.399 408 M HN 0.269 nan 8.290 nan 0.000 0.435 409 K N -0.471 119.839 120.400 -0.150 0.000 2.437 409 K HA 0.329 4.648 4.320 -0.000 0.000 0.205 409 K C 0.786 177.362 176.600 -0.040 0.000 1.026 409 K CA 0.392 56.547 56.287 -0.220 0.000 1.153 409 K CB 0.306 32.505 32.500 -0.502 0.000 0.863 409 K HN 0.458 nan 8.250 nan 0.000 0.502 410 G N 1.111 109.855 108.800 -0.093 0.000 2.132 410 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.234 410 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.234 410 G C -0.006 174.844 174.900 -0.084 0.000 0.989 410 G CA -0.184 44.862 45.100 -0.089 0.000 0.676 410 G HN 0.145 nan 8.290 nan 0.000 0.522 411 V N 1.535 121.389 119.914 -0.100 0.000 2.259 411 V HA 0.401 4.521 4.120 -0.000 0.000 0.267 411 V C 0.328 176.346 176.094 -0.127 0.000 1.051 411 V CA -0.367 61.892 62.300 -0.068 0.000 0.830 411 V CB 0.945 32.761 31.823 -0.012 0.000 1.080 411 V HN 0.316 nan 8.190 nan 0.000 0.467 412 K N 3.738 124.043 120.400 -0.158 0.000 2.307 412 K HA 0.604 4.924 4.320 -0.000 0.000 0.263 412 K C -0.176 176.402 176.600 -0.037 0.000 0.973 412 K CA -0.702 55.471 56.287 -0.190 0.000 0.846 412 K CB 2.497 34.772 32.500 -0.375 0.000 1.100 412 K HN 0.493 nan 8.250 nan 0.000 0.438 413 V N -0.516 119.424 119.914 0.042 0.000 3.376 413 V HA 0.010 4.130 4.120 -0.000 0.000 0.303 413 V C 0.777 176.916 176.094 0.076 0.000 1.100 413 V CA -0.067 62.277 62.300 0.073 0.000 1.126 413 V CB 0.631 32.515 31.823 0.103 0.000 1.085 413 V HN 0.677 nan 8.190 nan 0.000 0.480 414 D N 0.388 120.834 120.400 0.077 0.000 2.103 414 D HA -0.061 4.579 4.640 -0.000 0.000 0.199 414 D C 0.797 177.140 176.300 0.071 0.000 0.978 414 D CA 1.665 55.704 54.000 0.065 0.000 0.829 414 D CB -0.098 40.738 40.800 0.060 0.000 0.981 414 D HN 0.838 nan 8.370 nan 0.000 0.464 415 D N 0.201 120.649 120.400 0.080 0.000 2.563 415 D HA 0.109 4.749 4.640 -0.000 0.000 0.222 415 D C 1.032 177.384 176.300 0.086 0.000 1.145 415 D CA -0.269 53.776 54.000 0.075 0.000 1.001 415 D CB -0.120 40.724 40.800 0.073 0.000 1.049 415 D HN -0.065 nan 8.370 nan 0.000 0.515 416 I N 1.945 122.567 120.570 0.087 0.000 2.361 416 I HA -0.194 3.975 4.170 -0.000 0.000 0.251 416 I C 2.416 178.560 176.117 0.045 0.000 1.133 416 I CA 0.905 62.253 61.300 0.081 0.000 1.413 416 I CB -0.120 37.940 38.000 0.101 0.000 1.073 416 I HN 0.267 nan 8.210 nan 0.000 0.424 417 K N 0.498 120.921 120.400 0.038 0.000 2.009 417 K HA -0.194 4.126 4.320 -0.000 0.000 0.210 417 K C 2.084 178.719 176.600 0.059 0.000 1.049 417 K CA 2.093 58.399 56.287 0.032 0.000 0.929 417 K CB -0.207 32.306 32.500 0.020 0.000 0.714 417 K HN 0.245 nan 8.250 nan 0.000 0.440 418 T N 1.998 116.590 114.554 0.062 0.000 2.788 418 T HA -0.142 4.207 4.350 -0.000 0.000 0.268 418 T C 1.657 176.360 174.700 0.005 0.000 1.044 418 T CA 1.152 63.291 62.100 0.065 0.000 1.139 418 T CB -0.214 68.722 68.868 0.113 0.000 0.867 418 T HN 0.197 nan 8.240 nan 0.000 0.454 419 L N 0.403 121.666 121.223 0.067 0.000 1.990 419 L HA -0.134 4.206 4.340 -0.000 0.000 0.213 419 L C 2.123 178.996 176.870 0.004 0.000 1.072 419 L CA 1.853 56.746 54.840 0.089 0.000 0.755 419 L CB -0.898 41.196 42.059 0.058 0.000 0.889 419 L HN 0.266 nan 8.230 nan 0.000 0.432 420 Y N 0.546 120.770 120.300 -0.127 0.000 2.181 420 Y HA -0.225 4.325 4.550 -0.000 0.000 0.288 420 Y C 2.456 178.266 175.900 -0.150 0.000 1.146 420 Y CA 2.183 60.183 58.100 -0.167 0.000 1.164 420 Y CB -0.115 38.244 38.460 -0.168 0.000 0.982 420 Y HN 0.416 nan 8.280 nan 0.000 0.515 421 E N -0.855 119.334 120.200 -0.017 0.000 2.110 421 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 421 E C 2.425 178.841 176.600 -0.306 0.000 0.988 421 E CA 0.868 57.217 56.400 -0.085 0.000 0.804 421 E CB -0.519 29.186 29.700 0.009 0.000 0.745 421 E HN 0.626 nan 8.360 nan 0.000 0.458 422 G N 1.829 110.242 108.800 -0.646 0.000 2.459 422 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.217 422 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.217 422 G C 1.612 176.337 174.900 -0.292 0.000 1.183 422 G CA 0.561 44.983 45.100 -1.130 0.000 0.776 422 G HN 0.083 nan 8.290 nan 0.000 0.552 423 L N 0.346 121.484 121.223 -0.142 0.000 2.043 423 L HA -0.125 4.215 4.340 -0.000 0.000 0.212 423 L C 2.823 179.519 176.870 -0.289 0.000 1.075 423 L CA 0.753 55.445 54.840 -0.246 0.000 0.752 423 L CB -0.356 41.416 42.059 -0.478 0.000 0.891 423 L HN 0.171 nan 8.230 nan 0.000 0.432 424 I N -0.971 119.396 120.570 -0.339 0.000 2.353 424 I HA -0.259 3.911 4.170 -0.000 0.000 0.248 424 I C 2.424 178.478 176.117 -0.105 0.000 1.119 424 I CA 1.442 62.620 61.300 -0.203 0.000 1.417 424 I CB -1.386 36.516 38.000 -0.163 0.000 1.078 424 I HN 0.357 nan 8.210 nan 0.000 0.421 425 H N 1.229 120.184 119.070 -0.192 0.000 2.421 425 H HA -0.086 4.469 4.556 -0.000 0.000 0.298 425 H C 2.257 177.485 175.328 -0.167 0.000 1.087 425 H CA 1.784 57.721 56.048 -0.184 0.000 1.330 425 H CB -0.184 29.462 29.762 -0.193 0.000 1.388 425 H HN 0.268 nan 8.280 nan 0.000 0.526 426 G N -0.984 107.782 108.800 -0.056 0.000 2.422 426 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.218 426 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.218 426 G C 1.793 176.613 174.900 -0.133 0.000 1.140 426 G CA 1.207 46.308 45.100 0.001 0.000 0.775 426 G HN 0.600 nan 8.290 nan 0.000 0.545 427 T N -2.808 111.649 114.554 -0.162 0.000 3.023 427 T HA 0.293 4.643 4.350 -0.000 0.000 0.266 427 T C 1.799 176.339 174.700 -0.267 0.000 1.093 427 T CA 1.780 63.791 62.100 -0.149 0.000 1.129 427 T CB 0.133 69.023 68.868 0.036 0.000 0.899 427 T HN 0.407 nan 8.240 nan 0.000 0.491 428 E N 0.529 120.471 120.200 -0.430 0.000 2.526 428 E HA 0.399 4.749 4.350 -0.000 0.000 0.208 428 E C 0.185 176.100 176.600 -1.141 0.000 0.997 428 E CA -0.516 55.514 56.400 -0.617 0.000 0.961 428 E CB -0.180 29.352 29.700 -0.280 0.000 1.030 428 E HN 0.789 nan 8.360 nan 0.000 0.483 429 N N -1.887 116.219 118.700 -0.991 0.000 2.329 429 N HA 0.595 5.335 4.740 -0.000 0.000 0.282 429 N C -1.776 173.615 175.510 -0.199 0.000 1.198 429 N CA -0.532 52.152 53.050 -0.610 0.000 0.790 429 N CB 2.826 41.020 38.487 -0.488 0.000 1.579 429 N HN 0.102 nan 8.380 nan 0.000 0.475 430 V N 0.873 120.805 119.914 0.030 0.000 2.680 430 V HA 0.333 4.453 4.120 -0.000 0.000 0.309 430 V C -0.721 175.340 176.094 -0.056 0.000 1.052 430 V CA -0.556 61.767 62.300 0.037 0.000 0.908 430 V CB 1.504 33.401 31.823 0.123 0.000 1.001 430 V HN 0.767 nan 8.190 nan 0.000 0.431 431 H N 8.130 126.855 119.070 -0.574 0.000 2.964 431 H HA 0.194 4.750 4.556 -0.000 0.000 0.328 431 H C -1.680 173.547 175.328 -0.169 0.000 1.030 431 H CA -0.806 54.871 56.048 -0.618 0.000 1.445 431 H CB 1.955 31.212 29.762 -0.843 0.000 1.449 431 H HN 0.513 nan 8.280 nan 0.000 0.581 432 P HA -0.113 nan 4.420 nan 0.000 0.218 432 P C 0.346 177.719 177.300 0.122 0.000 1.148 432 P CA 1.313 64.427 63.100 0.024 0.000 0.822 432 P CB 0.528 32.212 31.700 -0.026 0.000 0.784 433 E N -1.607 118.769 120.200 0.295 0.000 2.485 433 E HA 0.123 4.472 4.350 -0.000 0.000 0.213 433 E C -0.138 176.517 176.600 0.091 0.000 0.923 433 E CA 0.085 56.595 56.400 0.183 0.000 1.054 433 E CB 0.750 30.562 29.700 0.185 0.000 1.077 433 E HN -0.053 nan 8.360 nan 0.000 0.509 434 V N 2.225 122.178 119.914 0.065 0.000 2.327 434 V HA 0.077 4.197 4.120 -0.000 0.000 0.272 434 V C 0.844 176.889 176.094 -0.082 0.000 1.019 434 V CA -0.152 62.079 62.300 -0.115 0.000 0.814 434 V CB 1.222 32.822 31.823 -0.371 0.000 1.040 434 V HN 0.233 nan 8.190 nan 0.000 0.440 435 S N 1.921 117.607 115.700 -0.023 0.000 2.547 435 S HA -0.099 4.371 4.470 -0.000 0.000 0.235 435 S C 1.616 176.221 174.600 0.008 0.000 0.980 435 S CA 1.008 59.210 58.200 0.003 0.000 0.941 435 S CB -0.132 63.082 63.200 0.023 0.000 0.763 435 S HN 0.888 nan 8.310 nan 0.000 0.532 436 S N -0.264 115.431 115.700 -0.009 0.000 2.556 436 S HA 0.212 4.682 4.470 -0.000 0.000 0.216 436 S C 0.307 174.919 174.600 0.020 0.000 0.970 436 S CA -0.463 57.759 58.200 0.036 0.000 0.912 436 S CB -0.171 63.067 63.200 0.063 0.000 0.790 436 S HN 0.365 nan 8.310 nan 0.000 0.504 437 T N 2.452 116.942 114.554 -0.106 0.000 2.770 437 T HA 0.676 5.026 4.350 -0.000 0.000 0.283 437 T C 0.656 175.185 174.700 -0.285 0.000 0.988 437 T CA 0.178 62.143 62.100 -0.224 0.000 0.957 437 T CB 0.941 69.482 68.868 -0.546 0.000 0.930 437 T HN 0.768 nan 8.240 nan 0.000 0.443 438 G N 3.318 112.091 108.800 -0.045 0.000 2.542 438 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.235 438 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.235 438 G C -0.785 174.152 174.900 0.062 0.000 1.286 438 G CA -0.795 44.360 45.100 0.091 0.000 0.904 438 G HN 0.776 nan 8.290 nan 0.000 0.577 439 R N -0.373 120.136 120.500 0.016 0.000 2.407 439 R HA 0.434 4.773 4.340 -0.000 0.000 0.298 439 R C -0.182 176.239 176.300 0.202 0.000 1.166 439 R CA -0.779 55.334 56.100 0.021 0.000 1.006 439 R CB 1.286 31.370 30.300 -0.360 0.000 1.145 439 R HN 0.574 nan 8.270 nan 0.000 0.538 440 L N 1.880 123.257 121.223 0.257 0.000 2.499 440 L HA 0.203 4.543 4.340 -0.000 0.000 0.273 440 L C 1.141 178.196 176.870 0.308 0.000 1.195 440 L CA 1.628 56.619 54.840 0.251 0.000 0.882 440 L CB 0.704 42.862 42.059 0.164 0.000 1.133 440 L HN 0.911 nan 8.230 nan 0.000 0.483 441 G N 3.336 112.298 108.800 0.270 0.000 2.143 441 G HA2 -0.393 3.566 3.960 -0.000 0.000 0.248 441 G HA3 -0.393 3.566 3.960 -0.000 0.000 0.248 441 G C 0.495 175.554 174.900 0.265 0.000 0.991 441 G CA 0.736 45.990 45.100 0.256 0.000 0.689 441 G HN 1.155 nan 8.290 nan 0.000 0.522 442 Y N -0.820 119.561 120.300 0.136 0.000 2.315 442 Y HA 0.123 4.673 4.550 -0.000 0.000 0.288 442 Y C 2.055 178.032 175.900 0.130 0.000 1.154 442 Y CA 1.649 59.798 58.100 0.082 0.000 1.229 442 Y CB -0.430 38.006 38.460 -0.040 0.000 0.980 442 Y HN 0.426 nan 8.280 nan 0.000 0.540 443 E N -0.074 119.718 120.200 -0.680 0.000 2.028 443 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 443 E C 1.839 178.263 176.600 -0.294 0.000 0.988 443 E CA 1.600 57.659 56.400 -0.568 0.000 0.799 443 E CB -0.423 28.862 29.700 -0.691 0.000 0.755 443 E HN 0.624 nan 8.360 nan 0.000 0.447 444 Y N -0.891 119.312 120.300 -0.161 0.000 2.224 444 Y HA -0.269 4.281 4.550 -0.000 0.000 0.289 444 Y C 2.217 178.062 175.900 -0.091 0.000 1.146 444 Y CA 1.552 59.577 58.100 -0.125 0.000 1.182 444 Y CB -0.383 38.028 38.460 -0.082 0.000 0.983 444 Y HN 0.203 nan 8.280 nan 0.000 0.524 445 Y N 0.965 121.312 120.300 0.078 0.000 2.220 445 Y HA -0.192 4.358 4.550 -0.000 0.000 0.291 445 Y C 1.996 177.905 175.900 0.015 0.000 1.129 445 Y CA 1.413 59.564 58.100 0.085 0.000 1.161 445 Y CB -0.393 38.194 38.460 0.211 0.000 0.997 445 Y HN 0.029 nan 8.280 nan 0.000 0.522 446 N N 0.577 119.305 118.700 0.048 0.000 2.188 446 N HA -0.151 4.589 4.740 -0.000 0.000 0.184 446 N C 1.781 177.203 175.510 -0.147 0.000 1.018 446 N CA 1.542 54.557 53.050 -0.058 0.000 0.858 446 N CB -0.338 38.176 38.487 0.045 0.000 0.989 446 N HN 0.428 nan 8.380 nan 0.000 0.426 447 K N 0.308 120.613 120.400 -0.157 0.000 2.021 447 K HA 0.060 4.380 4.320 -0.000 0.000 0.205 447 K C 1.460 177.937 176.600 -0.206 0.000 1.047 447 K CA 0.726 56.907 56.287 -0.177 0.000 0.943 447 K CB 0.103 32.484 32.500 -0.198 0.000 0.725 447 K HN -0.058 nan 8.250 nan 0.000 0.439 448 L N -0.306 120.754 121.223 -0.272 0.000 2.375 448 L HA 0.200 4.539 4.340 -0.000 0.000 0.215 448 L C 1.483 178.147 176.870 -0.343 0.000 1.108 448 L CA 1.643 56.253 54.840 -0.384 0.000 0.830 448 L CB -0.540 41.087 42.059 -0.719 0.000 0.959 448 L HN 0.708 nan 8.230 nan 0.000 0.457 449 G N -0.012 108.588 108.800 -0.334 0.000 2.157 449 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.248 449 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.248 449 G C 0.085 174.934 174.900 -0.084 0.000 0.979 449 G CA 0.453 45.374 45.100 -0.298 0.000 0.650 449 G HN 0.478 nan 8.290 nan 0.000 0.529 450 Y N -2.881 117.418 120.300 -0.002 0.000 2.624 450 Y HA 0.665 5.214 4.550 -0.000 0.000 0.334 450 Y C -0.430 175.630 175.900 0.266 0.000 1.155 450 Y CA -1.733 56.487 58.100 0.201 0.000 1.046 450 Y CB 0.961 39.475 38.460 0.090 0.000 1.316 450 Y HN 0.348 nan 8.280 nan 0.000 0.457 451 V N 3.322 123.529 119.914 0.487 0.000 2.406 451 V HA 0.384 4.504 4.120 -0.000 0.000 0.272 451 V C -2.220 174.040 176.094 0.277 0.000 1.043 451 V CA -1.768 60.699 62.300 0.279 0.000 0.915 451 V CB 0.786 32.715 31.823 0.177 0.000 0.988 451 V HN 0.591 nan 8.190 nan 0.000 0.466 452 P HA 0.111 nan 4.420 nan 0.000 0.274 452 P C 0.006 177.327 177.300 0.036 0.000 1.237 452 P CA -0.126 63.084 63.100 0.184 0.000 0.793 452 P CB 0.568 32.305 31.700 0.061 0.000 0.977 453 Y N 1.744 122.002 120.300 -0.070 0.000 2.519 453 Y HA -0.030 4.520 4.550 -0.000 0.000 0.287 453 Y C 0.812 176.649 175.900 -0.105 0.000 1.128 453 Y CA 1.109 59.139 58.100 -0.117 0.000 1.282 453 Y CB 0.099 38.485 38.460 -0.124 0.000 1.027 453 Y HN 0.259 nan 8.280 nan 0.000 0.551 454 D N -0.214 120.186 120.400 -0.000 0.000 2.593 454 D HA 0.049 4.689 4.640 -0.000 0.000 0.241 454 D C 0.307 176.555 176.300 -0.086 0.000 1.257 454 D CA 0.446 54.429 54.000 -0.028 0.000 0.828 454 D CB -0.466 40.386 40.800 0.086 0.000 1.049 454 D HN 0.212 nan 8.370 nan 0.000 0.490 455 V N -3.132 116.679 119.914 -0.172 0.000 3.070 455 V HA 0.386 4.506 4.120 -0.000 0.000 0.345 455 V C 0.405 176.383 176.094 -0.192 0.000 1.403 455 V CA -0.806 61.366 62.300 -0.212 0.000 1.155 455 V CB -0.262 31.276 31.823 -0.476 0.000 1.140 455 V HN 0.012 nan 8.190 nan 0.000 0.505 456 K N 0.411 120.716 120.400 -0.159 0.000 3.192 456 K HA -0.166 4.154 4.320 -0.000 0.000 0.278 456 K C -0.194 176.333 176.600 -0.122 0.000 1.164 456 K CA 0.963 57.177 56.287 -0.120 0.000 0.816 456 K CB -1.887 30.572 32.500 -0.069 0.000 1.256 456 K HN 0.703 nan 8.250 nan 0.000 0.497 457 I N 1.918 122.387 120.570 -0.169 0.000 2.390 457 I HA 0.147 4.317 4.170 -0.000 0.000 0.283 457 I C 0.330 176.349 176.117 -0.163 0.000 1.016 457 I CA -0.710 60.509 61.300 -0.136 0.000 1.151 457 I CB 1.099 39.018 38.000 -0.136 0.000 1.293 457 I HN -0.039 nan 8.210 nan 0.000 0.458 458 N N 5.429 124.054 118.700 -0.126 0.000 2.525 458 N HA 0.127 4.866 4.740 -0.000 0.000 0.271 458 N C 0.333 175.750 175.510 -0.156 0.000 1.194 458 N CA 0.170 53.130 53.050 -0.151 0.000 0.964 458 N CB 0.769 39.237 38.487 -0.033 0.000 1.126 458 N HN 0.549 nan 8.380 nan 0.000 0.452 459 E N -1.026 119.034 120.200 -0.233 0.000 3.181 459 E HA -0.280 4.070 4.350 -0.000 0.000 0.293 459 E C 0.514 176.972 176.600 -0.237 0.000 0.936 459 E CA 0.757 57.020 56.400 -0.229 0.000 0.975 459 E CB -1.770 27.849 29.700 -0.135 0.000 1.496 459 E HN 0.765 nan 8.360 nan 0.000 0.429 460 N N 0.742 119.306 118.700 -0.227 0.000 2.060 460 N HA -0.273 4.467 4.740 -0.000 0.000 0.195 460 N C 1.806 177.222 175.510 -0.157 0.000 1.028 460 N CA 1.936 54.891 53.050 -0.159 0.000 0.861 460 N CB -0.372 38.045 38.487 -0.116 0.000 1.029 460 N HN 0.299 nan 8.380 nan 0.000 0.428 461 A N 0.356 123.008 122.820 -0.279 0.000 1.930 461 A HA 0.224 4.544 4.320 -0.000 0.000 0.217 461 A C 2.442 179.930 177.584 -0.160 0.000 1.175 461 A CA 1.680 53.560 52.037 -0.262 0.000 0.627 461 A CB -1.143 17.479 19.000 -0.631 0.000 0.815 461 A HN 0.508 nan 8.150 nan 0.000 0.443 462 A N -0.043 122.599 122.820 -0.297 0.000 1.898 462 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 462 A C 2.243 179.767 177.584 -0.100 0.000 1.181 462 A CA 1.425 53.280 52.037 -0.303 0.000 0.620 462 A CB -0.446 18.230 19.000 -0.539 0.000 0.819 462 A HN 0.546 nan 8.150 nan 0.000 0.442 463 R N -0.904 119.453 120.500 -0.238 0.000 2.070 463 R HA -0.098 4.241 4.340 -0.000 0.000 0.233 463 R C 2.333 178.241 176.300 -0.653 0.000 1.137 463 R CA 1.854 57.606 56.100 -0.580 0.000 0.945 463 R CB -1.025 28.885 30.300 -0.650 0.000 0.845 463 R HN 0.498 nan 8.270 nan 0.000 0.430 464 T N 1.878 116.307 114.554 -0.208 0.000 2.624 464 T HA -0.180 4.170 4.350 -0.000 0.000 0.268 464 T C 1.914 176.771 174.700 0.262 0.000 1.041 464 T CA 1.469 63.664 62.100 0.158 0.000 1.159 464 T CB -0.268 68.781 68.868 0.302 0.000 0.863 464 T HN 0.131 nan 8.240 nan 0.000 0.434 465 L N 0.273 121.640 121.223 0.241 0.000 2.046 465 L HA -0.090 4.249 4.340 -0.000 0.000 0.208 465 L C 2.751 179.853 176.870 0.386 0.000 1.077 465 L CA 1.466 56.519 54.840 0.355 0.000 0.747 465 L CB -0.418 41.868 42.059 0.377 0.000 0.896 465 L HN 0.331 nan 8.230 nan 0.000 0.432 466 E N -1.239 119.149 120.200 0.312 0.000 2.112 466 E HA -0.171 4.179 4.350 -0.000 0.000 0.190 466 E C 2.155 178.942 176.600 0.313 0.000 0.979 466 E CA 0.619 57.225 56.400 0.345 0.000 0.814 466 E CB 0.017 29.909 29.700 0.319 0.000 0.762 466 E HN 0.369 nan 8.360 nan 0.000 0.460 467 Y N 0.790 121.160 120.300 0.117 0.000 2.151 467 Y HA -0.230 4.320 4.550 -0.000 0.000 0.284 467 Y C 2.369 178.364 175.900 0.158 0.000 1.166 467 Y CA 0.907 58.985 58.100 -0.037 0.000 1.163 467 Y CB -1.111 37.029 38.460 -0.533 0.000 0.974 467 Y HN 0.056 nan 8.280 nan 0.000 0.511 468 A N -0.880 122.240 122.820 0.499 0.000 1.898 468 A HA -0.237 4.083 4.320 -0.000 0.000 0.216 468 A C 2.168 179.954 177.584 0.336 0.000 1.181 468 A CA 1.567 53.926 52.037 0.535 0.000 0.620 468 A CB -1.331 18.055 19.000 0.644 0.000 0.819 468 A HN 0.544 nan 8.150 nan 0.000 0.442 469 Y N 1.221 121.617 120.300 0.159 0.000 2.263 469 Y HA -0.139 4.411 4.550 -0.000 0.000 0.292 469 Y C 1.630 177.479 175.900 -0.086 0.000 1.130 469 Y CA 1.599 59.604 58.100 -0.159 0.000 1.179 469 Y CB -0.151 38.382 38.460 0.121 0.000 0.998 469 Y HN 0.331 nan 8.280 nan 0.000 0.532 470 D N 0.375 120.658 120.400 -0.194 0.000 2.117 470 D HA -0.185 4.455 4.640 -0.000 0.000 0.197 470 D C 1.648 177.809 176.300 -0.232 0.000 0.987 470 D CA 1.613 55.430 54.000 -0.305 0.000 0.829 470 D CB -0.349 40.389 40.800 -0.104 0.000 0.961 470 D HN 0.448 nan 8.370 nan 0.000 0.460 471 D N -0.170 120.223 120.400 -0.013 0.000 2.117 471 D HA -0.145 4.495 4.640 -0.000 0.000 0.197 471 D C 1.856 178.159 176.300 0.004 0.000 0.987 471 D CA 0.472 54.535 54.000 0.104 0.000 0.829 471 D CB -0.482 40.546 40.800 0.379 0.000 0.961 471 D HN 0.333 nan 8.370 nan 0.000 0.460 472 W N 1.282 122.415 121.300 -0.277 0.000 2.325 472 W HA -0.285 4.375 4.660 -0.000 0.000 0.299 472 W C 2.246 178.566 176.519 -0.332 0.000 1.215 472 W CA 1.149 58.256 57.345 -0.397 0.000 1.244 472 W CB -0.353 28.683 29.460 -0.706 0.000 1.140 472 W HN -0.028 nan 8.180 nan 0.000 0.523 473 C N -0.017 119.065 119.300 -0.364 0.000 2.446 473 C HA -0.135 4.325 4.460 -0.000 0.000 0.277 473 C C 2.685 177.324 174.990 -0.585 0.000 1.275 473 C CA 1.202 59.896 59.018 -0.539 0.000 1.727 473 C CB -1.376 26.052 27.740 -0.520 0.000 2.010 473 C HN 0.343 nan 8.230 nan 0.000 0.486 474 I N 0.003 120.241 120.570 -0.553 0.000 2.315 474 I HA -0.230 3.940 4.170 -0.000 0.000 0.248 474 I C 2.425 178.205 176.117 -0.562 0.000 1.117 474 I CA 1.731 62.620 61.300 -0.686 0.000 1.404 474 I CB -0.636 36.728 38.000 -1.061 0.000 1.071 474 I HN 0.444 nan 8.210 nan 0.000 0.419 475 Y N 2.073 122.066 120.300 -0.512 0.000 2.097 475 Y HA -0.287 4.263 4.550 -0.000 0.000 0.282 475 Y C 2.768 178.426 175.900 -0.403 0.000 1.152 475 Y CA 1.531 59.444 58.100 -0.311 0.000 1.136 475 Y CB -0.264 38.033 38.460 -0.272 0.000 0.975 475 Y HN -0.080 nan 8.280 nan 0.000 0.498 476 R N 0.237 120.240 120.500 -0.828 0.000 2.096 476 R HA -0.206 4.133 4.340 -0.000 0.000 0.240 476 R C 2.264 178.187 176.300 -0.627 0.000 1.139 476 R CA 1.768 57.328 56.100 -0.899 0.000 0.952 476 R CB -1.284 28.410 30.300 -1.009 0.000 0.854 476 R HN 0.466 nan 8.270 nan 0.000 0.436 477 L N 0.650 121.561 121.223 -0.521 0.000 2.056 477 L HA -0.022 4.318 4.340 -0.000 0.000 0.207 477 L C 2.285 178.958 176.870 -0.327 0.000 1.078 477 L CA 1.898 56.486 54.840 -0.418 0.000 0.749 477 L CB -0.781 41.042 42.059 -0.395 0.000 0.901 477 L HN 0.153 nan 8.230 nan 0.000 0.433 478 A N -0.491 122.184 122.820 -0.242 0.000 1.908 478 A HA -0.303 4.017 4.320 -0.000 0.000 0.218 478 A C 2.454 179.881 177.584 -0.262 0.000 1.181 478 A CA 2.136 54.078 52.037 -0.158 0.000 0.627 478 A CB -0.631 18.375 19.000 0.010 0.000 0.818 478 A HN 0.505 nan 8.150 nan 0.000 0.445 479 K N -0.459 119.714 120.400 -0.378 0.000 2.097 479 K HA -0.195 4.125 4.320 -0.000 0.000 0.205 479 K C 1.966 178.411 176.600 -0.258 0.000 1.050 479 K CA 1.629 57.714 56.287 -0.336 0.000 0.938 479 K CB -0.115 32.090 32.500 -0.492 0.000 0.718 479 K HN 0.369 nan 8.250 nan 0.000 0.442 480 E N 0.363 120.391 120.200 -0.287 0.000 2.153 480 E HA -0.141 4.208 4.350 -0.000 0.000 0.194 480 E C 1.043 177.532 176.600 -0.186 0.000 0.988 480 E CA 1.011 57.285 56.400 -0.209 0.000 0.811 480 E CB 0.032 29.597 29.700 -0.226 0.000 0.746 480 E HN 0.227 nan 8.360 nan 0.000 0.466 481 L N 0.953 122.026 121.223 -0.250 0.000 2.628 481 L HA 0.233 4.573 4.340 -0.000 0.000 0.229 481 L C -0.077 176.665 176.870 -0.213 0.000 1.137 481 L CA 0.437 55.126 54.840 -0.252 0.000 0.909 481 L CB -0.535 41.294 42.059 -0.383 0.000 1.137 481 L HN 0.061 nan 8.230 nan 0.000 0.470 482 K N 0.564 120.860 120.400 -0.174 0.000 3.451 482 K HA -0.210 4.109 4.320 -0.000 0.000 0.273 482 K C -0.091 176.422 176.600 -0.146 0.000 0.944 482 K CA 0.283 56.491 56.287 -0.132 0.000 0.734 482 K CB -1.088 31.356 32.500 -0.095 0.000 1.437 482 K HN 0.205 nan 8.250 nan 0.000 0.454 483 R N 0.183 120.578 120.500 -0.175 0.000 2.543 483 R HA 0.292 4.632 4.340 -0.000 0.000 0.268 483 R C -2.173 174.080 176.300 -0.079 0.000 1.067 483 R CA -2.394 53.603 56.100 -0.173 0.000 1.142 483 R CB -0.369 29.787 30.300 -0.240 0.000 1.110 483 R HN 0.005 nan 8.270 nan 0.000 0.549 484 P HA -0.108 nan 4.420 nan 0.000 0.259 484 P C 0.631 177.939 177.300 0.013 0.000 1.155 484 P CA 0.777 63.869 63.100 -0.013 0.000 0.759 484 P CB 0.137 31.839 31.700 0.003 0.000 0.753 485 K N 4.801 125.209 120.400 0.013 0.000 2.218 485 K HA -0.234 4.086 4.320 -0.000 0.000 0.205 485 K C 1.705 178.336 176.600 0.052 0.000 1.046 485 K CA 2.361 58.667 56.287 0.032 0.000 0.933 485 K CB -1.089 31.425 32.500 0.024 0.000 0.728 485 K HN 0.756 nan 8.250 nan 0.000 0.454 486 K N -0.132 120.291 120.400 0.039 0.000 2.243 486 K HA 0.011 4.331 4.320 -0.000 0.000 0.201 486 K C 1.897 178.526 176.600 0.048 0.000 1.051 486 K CA 1.024 57.332 56.287 0.035 0.000 0.970 486 K CB 0.223 32.730 32.500 0.012 0.000 0.755 486 K HN 0.546 nan 8.250 nan 0.000 0.465 487 E N 1.434 121.683 120.200 0.081 0.000 2.015 487 E HA -0.111 4.238 4.350 -0.000 0.000 0.191 487 E C 2.001 178.757 176.600 0.260 0.000 0.991 487 E CA 1.463 57.959 56.400 0.160 0.000 0.802 487 E CB -0.179 29.652 29.700 0.218 0.000 0.759 487 E HN 0.274 nan 8.360 nan 0.000 0.447 488 I N 1.112 121.814 120.570 0.219 0.000 2.227 488 I HA -0.364 3.805 4.170 -0.000 0.000 0.250 488 I C 2.282 178.605 176.117 0.344 0.000 1.087 488 I CA 1.108 62.564 61.300 0.259 0.000 1.352 488 I CB -0.310 37.773 38.000 0.140 0.000 1.043 488 I HN 0.042 nan 8.210 nan 0.000 0.425 489 S N 0.204 116.027 115.700 0.205 0.000 2.425 489 S HA -0.021 4.448 4.470 -0.000 0.000 0.225 489 S C 1.793 176.442 174.600 0.083 0.000 1.024 489 S CA 0.398 58.689 58.200 0.152 0.000 0.951 489 S CB -0.124 63.127 63.200 0.085 0.000 0.796 489 S HN 0.300 nan 8.310 nan 0.000 0.498 490 L N 0.972 122.191 121.223 -0.006 0.000 2.046 490 L HA 0.033 4.372 4.340 -0.000 0.000 0.208 490 L C 1.616 178.354 176.870 -0.220 0.000 1.077 490 L CA 1.864 56.592 54.840 -0.188 0.000 0.747 490 L CB -0.627 41.206 42.059 -0.378 0.000 0.896 490 L HN 0.195 nan 8.230 nan 0.000 0.432 491 F N -0.466 119.546 119.950 0.105 0.000 2.234 491 F HA 0.085 4.611 4.527 -0.000 0.000 0.296 491 F C 2.515 178.375 175.800 0.101 0.000 1.089 491 F CA 0.885 58.947 58.000 0.103 0.000 1.343 491 F CB -1.260 37.796 39.000 0.093 0.000 1.040 491 F HN 0.130 nan 8.300 nan 0.000 0.498 492 A N 0.183 123.172 122.820 0.280 0.000 1.986 492 A HA -0.300 4.020 4.320 -0.000 0.000 0.220 492 A C 2.158 179.894 177.584 0.254 0.000 1.171 492 A CA 2.276 54.418 52.037 0.174 0.000 0.640 492 A CB -0.681 18.433 19.000 0.191 0.000 0.811 492 A HN 0.318 nan 8.150 nan 0.000 0.451 493 K N -0.261 120.229 120.400 0.149 0.000 2.044 493 K HA 0.004 4.323 4.320 -0.000 0.000 0.204 493 K C 2.040 178.696 176.600 0.092 0.000 1.049 493 K CA 1.426 57.766 56.287 0.088 0.000 0.945 493 K CB -0.295 32.212 32.500 0.011 0.000 0.724 493 K HN 0.373 nan 8.250 nan 0.000 0.440 494 R N -0.080 120.474 120.500 0.091 0.000 2.148 494 R HA 0.073 4.412 4.340 -0.000 0.000 0.227 494 R C 2.171 178.638 176.300 0.277 0.000 1.103 494 R CA 0.940 57.113 56.100 0.121 0.000 0.983 494 R CB -0.351 30.030 30.300 0.135 0.000 0.874 494 R HN 0.315 nan 8.270 nan 0.000 0.451 495 A N 0.464 123.477 122.820 0.322 0.000 2.076 495 A HA -0.130 4.189 4.320 -0.000 0.000 0.220 495 A C 1.708 179.656 177.584 0.606 0.000 1.160 495 A CA 1.203 53.509 52.037 0.448 0.000 0.653 495 A CB -0.108 19.072 19.000 0.299 0.000 0.801 495 A HN 0.127 nan 8.150 nan 0.000 0.455 496 M N -0.084 119.731 119.600 0.359 0.000 2.428 496 M HA 0.112 4.592 4.480 -0.000 0.000 0.239 496 M C 0.796 177.020 176.300 -0.126 0.000 1.121 496 M CA 0.073 55.420 55.300 0.077 0.000 1.019 496 M CB -1.004 31.600 32.600 0.007 0.000 1.485 496 M HN 0.307 nan 8.290 nan 0.000 0.484 497 N N 0.905 119.674 118.700 0.116 0.000 2.348 497 N HA -0.191 4.549 4.740 -0.000 0.000 0.185 497 N C 1.562 177.172 175.510 0.166 0.000 1.019 497 N CA 1.146 54.266 53.050 0.117 0.000 0.880 497 N CB -0.384 38.211 38.487 0.180 0.000 0.965 497 N HN 0.630 nan 8.380 nan 0.000 0.437 498 Y N 0.716 121.162 120.300 0.244 0.000 2.256 498 Y HA -0.081 4.469 4.550 -0.000 0.000 0.288 498 Y C 1.907 177.900 175.900 0.156 0.000 1.155 498 Y CA 1.073 59.297 58.100 0.206 0.000 1.203 498 Y CB -0.615 37.951 38.460 0.178 0.000 0.980 498 Y HN -0.127 nan 8.280 nan 0.000 0.530 499 K N 0.520 120.662 120.400 -0.430 0.000 2.152 499 K HA -0.160 4.159 4.320 -0.000 0.000 0.206 499 K C 1.390 178.014 176.600 0.039 0.000 1.048 499 K CA 1.371 57.528 56.287 -0.218 0.000 0.933 499 K CB -0.291 31.998 32.500 -0.351 0.000 0.721 499 K HN 0.389 nan 8.250 nan 0.000 0.447 500 N N 0.611 119.336 118.700 0.042 0.000 2.520 500 N HA -0.085 4.655 4.740 -0.000 0.000 0.185 500 N C 1.014 176.536 175.510 0.020 0.000 1.068 500 N CA 0.918 54.001 53.050 0.056 0.000 0.911 500 N CB 0.186 38.751 38.487 0.131 0.000 0.961 500 N HN 0.233 nan 8.380 nan 0.000 0.446 501 L N -1.153 120.163 121.223 0.155 0.000 3.135 501 L HA 0.281 4.621 4.340 -0.000 0.000 0.279 501 L C -0.092 176.932 176.870 0.257 0.000 1.200 501 L CA -0.404 54.571 54.840 0.224 0.000 1.016 501 L CB 0.268 42.399 42.059 0.120 0.000 1.391 501 L HN -0.084 nan 8.230 nan 0.000 0.588 502 F N 2.019 122.016 119.950 0.079 0.000 2.495 502 F HA 0.180 4.707 4.527 -0.000 0.000 0.365 502 F C 0.360 175.973 175.800 -0.311 0.000 1.090 502 F CA -0.389 57.557 58.000 -0.090 0.000 1.235 502 F CB 0.597 39.573 39.000 -0.039 0.000 1.119 502 F HN -0.075 nan 8.300 nan 0.000 0.562 503 D N 5.494 125.069 120.400 -1.375 0.000 2.441 503 D HA 0.146 4.786 4.640 -0.000 0.000 0.231 503 D C 0.838 176.407 176.300 -1.219 0.000 1.073 503 D CA -0.385 52.802 54.000 -1.356 0.000 0.850 503 D CB 1.096 41.059 40.800 -1.395 0.000 1.062 503 D HN 0.616 nan 8.370 nan 0.000 0.524 504 K N 2.898 122.874 120.400 -0.707 0.000 2.103 504 K HA -0.179 4.141 4.320 -0.000 0.000 0.207 504 K C 0.888 177.324 176.600 -0.273 0.000 1.048 504 K CA 1.336 57.436 56.287 -0.312 0.000 0.930 504 K CB 0.279 32.744 32.500 -0.058 0.000 0.716 504 K HN 0.565 nan 8.250 nan 0.000 0.444 505 E N 0.010 120.025 120.200 -0.308 0.000 2.046 505 E HA -0.115 4.235 4.350 -0.000 0.000 0.190 505 E C 2.048 178.532 176.600 -0.195 0.000 0.982 505 E CA 1.511 57.791 56.400 -0.200 0.000 0.800 505 E CB 0.011 29.607 29.700 -0.172 0.000 0.756 505 E HN 0.400 nan 8.360 nan 0.000 0.449 506 S N 0.298 115.825 115.700 -0.288 0.000 2.446 506 S HA -0.003 4.467 4.470 -0.000 0.000 0.225 506 S C 0.866 175.276 174.600 -0.315 0.000 1.016 506 S CA 0.326 58.391 58.200 -0.226 0.000 0.943 506 S CB -0.003 63.127 63.200 -0.117 0.000 0.786 506 S HN 0.152 nan 8.310 nan 0.000 0.508 507 K N 0.200 120.311 120.400 -0.482 0.000 3.339 507 K HA -0.103 4.216 4.320 -0.000 0.000 0.299 507 K C -0.758 175.541 176.600 -0.501 0.000 1.270 507 K CA 0.695 56.728 56.287 -0.424 0.000 0.875 507 K CB -2.116 30.341 32.500 -0.073 0.000 1.298 507 K HN 0.468 nan 8.250 nan 0.000 0.485 508 L N 0.206 121.002 121.223 -0.711 0.000 2.309 508 L HA 0.527 4.867 4.340 -0.000 0.000 0.261 508 L C 0.431 176.990 176.870 -0.519 0.000 1.021 508 L CA -1.444 53.049 54.840 -0.578 0.000 0.823 508 L CB 1.345 43.070 42.059 -0.557 0.000 1.366 508 L HN -0.097 nan 8.230 nan 0.000 0.423 509 M N 1.512 120.948 119.600 -0.272 0.000 2.240 509 M HA 0.340 4.820 4.480 -0.000 0.000 0.333 509 M C -0.322 175.954 176.300 -0.041 0.000 1.110 509 M CA 0.453 55.714 55.300 -0.065 0.000 1.173 509 M CB 0.603 33.302 32.600 0.166 0.000 1.458 509 M HN 0.490 nan 8.290 nan 0.000 0.458 510 R N -0.186 120.246 120.500 -0.113 0.000 2.561 510 R HA 0.463 4.802 4.340 -0.000 0.000 0.266 510 R C -0.433 175.784 176.300 -0.139 0.000 1.091 510 R CA -0.420 55.488 56.100 -0.320 0.000 0.927 510 R CB 1.521 31.248 30.300 -0.954 0.000 1.240 510 R HN 0.929 nan 8.270 nan 0.000 0.449 511 G N 2.728 111.390 108.800 -0.230 0.000 2.353 511 G HA2 0.096 4.056 3.960 -0.000 0.000 0.239 511 G HA3 0.096 4.056 3.960 -0.000 0.000 0.239 511 G C -0.651 174.113 174.900 -0.227 0.000 1.295 511 G CA -0.108 44.866 45.100 -0.210 0.000 0.884 511 G HN 0.514 nan 8.290 nan 0.000 0.537 512 R N 2.012 122.360 120.500 -0.254 0.000 2.480 512 R HA 0.184 4.524 4.340 -0.000 0.000 0.306 512 R C 0.032 176.214 176.300 -0.197 0.000 0.958 512 R CA -0.845 54.974 56.100 -0.467 0.000 0.861 512 R CB 0.819 30.488 30.300 -1.052 0.000 1.171 512 R HN 0.624 nan 8.270 nan 0.000 0.445 513 N N 1.751 120.372 118.700 -0.132 0.000 2.288 513 N HA -0.098 4.642 4.740 -0.000 0.000 0.237 513 N C 0.692 176.278 175.510 0.126 0.000 1.311 513 N CA 0.094 53.160 53.050 0.028 0.000 0.909 513 N CB 0.647 39.135 38.487 0.001 0.000 1.167 513 N HN 0.702 nan 8.380 nan 0.000 0.476 514 E N 0.326 120.598 120.200 0.120 0.000 2.077 514 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 514 E C 0.677 177.341 176.600 0.106 0.000 0.989 514 E CA 1.529 58.009 56.400 0.135 0.000 0.800 514 E CB 0.011 29.774 29.700 0.105 0.000 0.746 514 E HN 0.588 nan 8.360 nan 0.000 0.452 515 D N -1.493 118.942 120.400 0.059 0.000 2.218 515 D HA -0.075 4.564 4.640 -0.000 0.000 0.204 515 D C 1.411 177.722 176.300 0.018 0.000 0.976 515 D CA 1.406 55.422 54.000 0.027 0.000 0.853 515 D CB -0.142 40.662 40.800 0.007 0.000 0.939 515 D HN 0.375 nan 8.370 nan 0.000 0.481 516 G N -0.889 107.915 108.800 0.006 0.000 2.296 516 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.188 516 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.188 516 G C 0.410 175.157 174.900 -0.254 0.000 1.000 516 G CA 0.099 45.154 45.100 -0.074 0.000 0.672 516 G HN 0.749 nan 8.290 nan 0.000 0.483 517 T N 0.184 114.633 114.554 -0.175 0.000 2.901 517 T HA 0.586 4.936 4.350 -0.000 0.000 0.301 517 T C 0.487 175.019 174.700 -0.280 0.000 1.012 517 T CA -0.429 61.565 62.100 -0.177 0.000 1.135 517 T CB 0.995 69.819 68.868 -0.073 0.000 0.936 517 T HN 0.235 nan 8.240 nan 0.000 0.539 518 F N 1.854 121.682 119.950 -0.203 0.000 2.545 518 F HA 0.177 4.703 4.527 -0.000 0.000 0.348 518 F C 1.357 176.988 175.800 -0.282 0.000 1.163 518 F CA -0.218 57.607 58.000 -0.292 0.000 1.331 518 F CB 0.513 39.304 39.000 -0.349 0.000 1.138 518 F HN 0.590 nan 8.300 nan 0.000 0.602 519 Q N 2.135 121.826 119.800 -0.181 0.000 2.332 519 Q HA 0.185 4.525 4.340 -0.000 0.000 0.263 519 Q C -1.116 174.766 176.000 -0.197 0.000 0.979 519 Q CA 0.234 55.829 55.803 -0.346 0.000 0.885 519 Q CB 1.093 29.276 28.738 -0.925 0.000 1.218 519 Q HN 0.696 nan 8.270 nan 0.000 0.405 520 S N 4.374 120.001 115.700 -0.122 0.000 2.536 520 S HA 0.616 5.086 4.470 -0.000 0.000 0.287 520 S C -2.435 172.161 174.600 -0.007 0.000 1.101 520 S CA -0.980 57.200 58.200 -0.033 0.000 0.950 520 S CB 1.647 64.841 63.200 -0.011 0.000 1.056 520 S HN 0.643 nan 8.310 nan 0.000 0.481 521 P HA 0.345 nan 4.420 nan 0.000 0.280 521 P C -1.130 176.216 177.300 0.078 0.000 1.244 521 P CA -0.408 62.716 63.100 0.040 0.000 0.784 521 P CB 0.283 32.001 31.700 0.030 0.000 0.913 522 F N 2.230 122.131 119.950 -0.083 0.000 2.420 522 F HA 0.331 4.857 4.527 -0.000 0.000 0.352 522 F C -0.282 175.493 175.800 -0.041 0.000 1.108 522 F CA -0.517 57.427 58.000 -0.095 0.000 1.162 522 F CB 0.764 39.682 39.000 -0.137 0.000 1.118 522 F HN 0.171 nan 8.300 nan 0.000 0.510 523 S N 8.633 124.081 115.700 -0.419 0.000 2.622 523 S HA 0.272 4.742 4.470 -0.000 0.000 0.283 523 S C -1.967 172.289 174.600 -0.575 0.000 1.197 523 S CA -0.885 57.063 58.200 -0.419 0.000 1.146 523 S CB 1.237 64.375 63.200 -0.103 0.000 1.007 523 S HN 0.500 nan 8.310 nan 0.000 0.478 524 P HA 0.031 nan 4.420 nan 0.000 0.225 524 P C 0.698 177.955 177.300 -0.072 0.000 1.148 524 P CA 0.694 63.451 63.100 -0.573 0.000 0.779 524 P CB 0.162 31.609 31.700 -0.422 0.000 0.780 525 L N -1.673 119.550 121.223 0.001 0.000 2.585 525 L HA 0.127 4.467 4.340 -0.000 0.000 0.226 525 L C 1.305 178.328 176.870 0.255 0.000 1.113 525 L CA -0.103 54.819 54.840 0.135 0.000 0.876 525 L CB -0.113 42.016 42.059 0.117 0.000 1.072 525 L HN -0.117 nan 8.230 nan 0.000 0.468 526 K N 0.684 121.207 120.400 0.205 0.000 2.379 526 K HA 0.003 4.323 4.320 -0.000 0.000 0.284 526 K C -1.111 175.745 176.600 0.427 0.000 1.044 526 K CA -0.419 56.068 56.287 0.334 0.000 0.974 526 K CB 0.502 33.133 32.500 0.218 0.000 0.962 526 K HN -0.121 nan 8.250 nan 0.000 0.474 527 W N 3.048 124.523 121.300 0.293 0.000 2.313 527 W HA 0.357 5.016 4.660 -0.000 0.000 0.328 527 W C 1.007 177.714 176.519 0.313 0.000 1.197 527 W CA 1.165 58.734 57.345 0.374 0.000 1.235 527 W CB 0.552 30.288 29.460 0.461 0.000 1.158 527 W HN 1.008 nan 8.180 nan 0.000 0.578 528 G N 1.818 110.908 108.800 0.483 0.000 2.562 528 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.250 528 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.250 528 G C 0.385 174.986 174.900 -0.498 0.000 1.269 528 G CA 0.876 45.992 45.100 0.027 0.000 0.919 528 G HN 0.766 nan 8.290 nan 0.000 0.574 529 D N -2.693 116.738 120.400 -1.614 0.000 4.438 529 D HA -0.185 4.455 4.640 -0.000 0.000 0.158 529 D C 2.210 178.154 176.300 -0.594 0.000 0.686 529 D CA 4.167 57.459 54.000 -1.180 0.000 1.183 529 D CB -1.544 38.905 40.800 -0.585 0.000 0.623 529 D HN 1.852 nan 8.370 nan 0.000 0.521 530 A N -0.510 122.079 122.820 -0.385 0.000 1.969 530 A HA 0.216 4.536 4.320 -0.000 0.000 0.218 530 A C 1.263 178.359 177.584 -0.812 0.000 1.169 530 A CA 1.635 53.355 52.037 -0.529 0.000 0.635 530 A CB -0.358 18.301 19.000 -0.567 0.000 0.810 530 A HN 0.270 nan 8.150 nan 0.000 0.445 531 F N -2.129 117.706 119.950 -0.191 0.000 2.611 531 F HA 0.585 5.111 4.527 -0.000 0.000 0.374 531 F C 0.582 176.279 175.800 -0.172 0.000 1.110 531 F CA -0.566 57.261 58.000 -0.289 0.000 1.090 531 F CB 0.996 39.870 39.000 -0.210 0.000 1.388 531 F HN -0.223 nan 8.300 nan 0.000 0.501 532 T N -0.002 114.630 114.554 0.130 0.000 2.847 532 T HA 0.311 4.661 4.350 -0.000 0.000 0.291 532 T C -0.883 174.085 174.700 0.447 0.000 0.998 532 T CA -0.408 61.838 62.100 0.243 0.000 0.967 532 T CB -0.070 68.864 68.868 0.111 0.000 0.954 532 T HN 0.639 nan 8.240 nan 0.000 0.441 533 E N 2.382 122.861 120.200 0.464 0.000 2.183 533 E HA -0.124 4.225 4.350 -0.000 0.000 0.196 533 E C 0.215 177.050 176.600 0.391 0.000 1.364 533 E CA 0.801 57.487 56.400 0.477 0.000 0.700 533 E CB -1.415 28.440 29.700 0.258 0.000 1.106 533 E HN 1.131 nan 8.360 nan 0.000 0.347 534 G N 0.362 109.316 108.800 0.258 0.000 2.328 534 G HA2 0.305 4.265 3.960 -0.000 0.000 0.299 534 G HA3 0.305 4.265 3.960 -0.000 0.000 0.299 534 G C -1.197 173.560 174.900 -0.239 0.000 1.435 534 G CA -0.445 44.419 45.100 -0.394 0.000 0.865 534 G HN 0.199 nan 8.290 nan 0.000 0.601 535 N N -1.300 117.129 118.700 -0.452 0.000 2.741 535 N HA 0.639 5.379 4.740 -0.000 0.000 0.310 535 N C 1.458 176.523 175.510 -0.742 0.000 1.295 535 N CA 0.206 53.000 53.050 -0.426 0.000 0.893 535 N CB 1.141 39.409 38.487 -0.365 0.000 1.247 535 N HN 0.657 nan 8.380 nan 0.000 0.596 536 S N -1.091 114.126 115.700 -0.805 0.000 2.374 536 S HA -0.165 4.305 4.470 -0.000 0.000 0.227 536 S C 1.022 175.221 174.600 -0.668 0.000 1.037 536 S CA 1.269 58.903 58.200 -0.943 0.000 1.024 536 S CB -0.657 62.350 63.200 -0.322 0.000 0.861 536 S HN 0.578 nan 8.310 nan 0.000 0.456 537 W N 0.810 121.790 121.300 -0.533 0.000 2.468 537 W HA 0.004 4.664 4.660 -0.000 0.000 0.262 537 W C 2.165 178.510 176.519 -0.289 0.000 1.241 537 W CA 1.133 58.231 57.345 -0.413 0.000 1.232 537 W CB -0.245 28.964 29.460 -0.419 0.000 1.124 537 W HN 0.605 nan 8.180 nan 0.000 0.597 538 H N -4.181 114.854 119.070 -0.059 0.000 2.439 538 H HA 0.017 4.572 4.556 -0.000 0.000 0.299 538 H C 1.333 176.603 175.328 -0.098 0.000 1.033 538 H CA 1.085 57.092 56.048 -0.067 0.000 1.348 538 H CB -0.325 29.278 29.762 -0.264 0.000 1.449 538 H HN 0.033 nan 8.280 nan 0.000 0.544 539 Y N 0.798 120.968 120.300 -0.217 0.000 2.420 539 Y HA -0.106 4.444 4.550 -0.000 0.000 0.292 539 Y C 2.336 178.112 175.900 -0.206 0.000 1.119 539 Y CA 0.777 58.776 58.100 -0.168 0.000 1.229 539 Y CB 0.240 38.558 38.460 -0.237 0.000 1.026 539 Y HN 0.111 nan 8.280 nan 0.000 0.554 540 T N -0.664 113.680 114.554 -0.350 0.000 2.760 540 T HA -0.270 4.080 4.350 -0.000 0.000 0.269 540 T C 0.914 175.296 174.700 -0.530 0.000 1.047 540 T CA 1.915 63.698 62.100 -0.528 0.000 1.139 540 T CB -0.511 67.804 68.868 -0.922 0.000 0.855 540 T HN 0.510 nan 8.240 nan 0.000 0.471 541 W N 1.278 122.509 121.300 -0.114 0.000 3.180 541 W HA 0.255 4.915 4.660 -0.000 0.000 0.254 541 W C 1.247 177.667 176.519 -0.164 0.000 1.318 541 W CA -0.482 56.791 57.345 -0.120 0.000 1.608 541 W CB -0.252 29.096 29.460 -0.186 0.000 1.124 541 W HN -0.039 nan 8.180 nan 0.000 0.694 542 S N 1.174 116.803 115.700 -0.118 0.000 4.069 542 S HA 0.214 4.684 4.470 -0.000 0.000 0.192 542 S C 0.112 174.344 174.600 -0.614 0.000 1.441 542 S CA -0.002 57.905 58.200 -0.490 0.000 0.994 542 S CB -0.444 62.717 63.200 -0.066 0.000 1.456 542 S HN -0.067 nan 8.310 nan 0.000 0.458 543 V N 2.708 122.181 119.914 -0.736 0.000 2.405 543 V HA 0.230 4.350 4.120 -0.000 0.000 0.253 543 V C 0.337 176.082 176.094 -0.581 0.000 0.963 543 V CA -0.513 61.421 62.300 -0.610 0.000 1.003 543 V CB -0.510 30.847 31.823 -0.776 0.000 1.251 543 V HN 0.606 nan 8.190 nan 0.000 0.520 544 F N 0.691 120.488 119.950 -0.254 0.000 2.202 544 F HA -0.174 4.353 4.527 -0.000 0.000 0.301 544 F C 2.476 178.141 175.800 -0.225 0.000 1.082 544 F CA 1.957 59.760 58.000 -0.330 0.000 1.313 544 F CB -0.393 38.242 39.000 -0.608 0.000 1.024 544 F HN 0.658 nan 8.300 nan 0.000 0.495 545 H N -2.387 116.556 119.070 -0.212 0.000 2.562 545 H HA 0.161 4.716 4.556 -0.000 0.000 0.267 545 H C -0.135 175.055 175.328 -0.230 0.000 0.959 545 H CA 0.807 56.597 56.048 -0.429 0.000 1.204 545 H CB -0.182 28.907 29.762 -1.122 0.000 1.430 545 H HN 0.169 nan 8.280 nan 0.000 0.545 546 D N 0.791 120.808 120.400 -0.638 0.000 2.772 546 D HA 0.235 4.875 4.640 -0.000 0.000 0.326 546 D C -2.016 173.997 176.300 -0.478 0.000 1.207 546 D CA -1.979 51.731 54.000 -0.484 0.000 0.777 546 D CB 1.059 41.597 40.800 -0.437 0.000 1.169 546 D HN 0.028 nan 8.370 nan 0.000 0.506 547 P HA -0.143 nan 4.420 nan 0.000 0.218 547 P C 1.384 178.431 177.300 -0.422 0.000 1.149 547 P CA 0.860 63.644 63.100 -0.528 0.000 0.817 547 P CB 0.524 31.622 31.700 -1.004 0.000 0.785 548 Q N 0.281 119.918 119.800 -0.273 0.000 2.050 548 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 548 Q C 2.251 178.131 176.000 -0.200 0.000 0.980 548 Q CA 2.372 58.052 55.803 -0.205 0.000 0.840 548 Q CB -1.657 27.010 28.738 -0.117 0.000 0.898 548 Q HN 0.169 nan 8.270 nan 0.000 0.424 549 G N 0.723 109.429 108.800 -0.156 0.000 2.469 549 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.219 549 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.219 549 G C 1.361 176.197 174.900 -0.107 0.000 1.150 549 G CA 1.065 46.125 45.100 -0.066 0.000 0.763 549 G HN 0.411 nan 8.290 nan 0.000 0.561 550 L N 0.694 121.800 121.223 -0.195 0.000 2.056 550 L HA 0.089 4.429 4.340 -0.000 0.000 0.207 550 L C 2.735 179.489 176.870 -0.195 0.000 1.078 550 L CA 1.238 55.959 54.840 -0.199 0.000 0.749 550 L CB -0.404 41.559 42.059 -0.160 0.000 0.901 550 L HN 0.287 nan 8.230 nan 0.000 0.433 551 I N -0.300 120.063 120.570 -0.346 0.000 2.118 551 I HA -0.353 3.817 4.170 -0.000 0.000 0.241 551 I C 2.102 178.134 176.117 -0.142 0.000 1.070 551 I CA 1.617 62.706 61.300 -0.352 0.000 1.327 551 I CB -0.638 37.043 38.000 -0.531 0.000 1.034 551 I HN 0.303 nan 8.210 nan 0.000 0.405 552 D N 0.907 121.214 120.400 -0.156 0.000 2.104 552 D HA -0.184 4.456 4.640 -0.000 0.000 0.194 552 D C 2.310 178.521 176.300 -0.149 0.000 0.994 552 D CA 1.304 55.234 54.000 -0.117 0.000 0.830 552 D CB -0.515 40.219 40.800 -0.109 0.000 0.959 552 D HN 0.303 nan 8.370 nan 0.000 0.452 553 L N -0.074 120.982 121.223 -0.279 0.000 2.129 553 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 553 L C 2.325 178.938 176.870 -0.429 0.000 1.087 553 L CA 0.858 55.370 54.840 -0.547 0.000 0.757 553 L CB -0.217 41.178 42.059 -1.108 0.000 0.896 553 L HN 0.043 nan 8.230 nan 0.000 0.434 554 M N -1.156 118.335 119.600 -0.181 0.000 2.561 554 M HA 0.124 4.604 4.480 -0.000 0.000 0.238 554 M C 1.001 177.369 176.300 0.113 0.000 1.131 554 M CA 0.569 55.938 55.300 0.114 0.000 1.046 554 M CB 0.377 33.099 32.600 0.204 0.000 1.532 554 M HN 0.362 nan 8.290 nan 0.000 0.497 555 G N 1.331 110.160 108.800 0.049 0.000 2.204 555 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.244 555 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.244 555 G C 0.303 175.239 174.900 0.059 0.000 1.062 555 G CA 0.001 45.133 45.100 0.052 0.000 0.798 555 G HN 0.906 nan 8.290 nan 0.000 0.496 556 G N -0.767 108.059 108.800 0.045 0.000 2.663 556 G HA2 0.232 4.191 3.960 -0.000 0.000 0.686 556 G HA3 0.232 4.191 3.960 -0.000 0.000 0.686 556 G C 0.791 175.750 174.900 0.099 0.000 1.288 556 G CA 0.465 45.593 45.100 0.046 0.000 0.836 556 G HN 1.585 nan 8.290 nan 0.000 0.584 557 K N -0.059 120.391 120.400 0.084 0.000 2.152 557 K HA -0.091 4.228 4.320 -0.000 0.000 0.206 557 K C 1.852 178.587 176.600 0.225 0.000 1.048 557 K CA 1.909 58.281 56.287 0.141 0.000 0.933 557 K CB 0.015 32.572 32.500 0.096 0.000 0.721 557 K HN 0.588 nan 8.250 nan 0.000 0.447 558 E N 0.739 121.043 120.200 0.172 0.000 2.077 558 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 558 E C 1.979 178.693 176.600 0.191 0.000 0.989 558 E CA 1.303 57.806 56.400 0.172 0.000 0.800 558 E CB -0.017 29.761 29.700 0.130 0.000 0.746 558 E HN 0.372 nan 8.360 nan 0.000 0.452 559 M N -0.441 119.271 119.600 0.188 0.000 2.254 559 M HA -0.032 4.448 4.480 -0.000 0.000 0.265 559 M C 1.812 178.257 176.300 0.241 0.000 1.066 559 M CA 0.801 56.213 55.300 0.186 0.000 1.123 559 M CB -0.144 32.549 32.600 0.154 0.000 1.388 559 M HN 0.156 nan 8.290 nan 0.000 0.425 560 F N 0.011 120.038 119.950 0.127 0.000 2.046 560 F HA -0.268 4.259 4.527 -0.000 0.000 0.297 560 F C 2.040 177.958 175.800 0.197 0.000 1.123 560 F CA 1.744 59.841 58.000 0.161 0.000 1.199 560 F CB -0.241 38.834 39.000 0.126 0.000 0.972 560 F HN -0.184 nan 8.300 nan 0.000 0.474 561 V N -0.078 120.021 119.914 0.308 0.000 2.287 561 V HA -0.363 3.756 4.120 -0.000 0.000 0.248 561 V C 2.286 178.495 176.094 0.193 0.000 1.053 561 V CA 2.422 64.870 62.300 0.246 0.000 1.027 561 V CB -1.247 30.764 31.823 0.313 0.000 0.646 561 V HN 0.467 nan 8.190 nan 0.000 0.447 562 T N -0.223 114.444 114.554 0.188 0.000 2.653 562 T HA -0.278 4.072 4.350 -0.000 0.000 0.268 562 T C 1.956 176.759 174.700 0.173 0.000 1.035 562 T CA 1.905 64.107 62.100 0.170 0.000 1.154 562 T CB -0.338 68.624 68.868 0.156 0.000 0.862 562 T HN 0.182 nan 8.240 nan 0.000 0.441 563 M N 0.432 120.134 119.600 0.171 0.000 2.159 563 M HA 0.046 4.526 4.480 -0.000 0.000 0.263 563 M C 2.301 178.773 176.300 0.286 0.000 1.063 563 M CA 1.427 56.879 55.300 0.253 0.000 1.110 563 M CB -1.065 31.640 32.600 0.175 0.000 1.374 563 M HN 0.323 nan 8.290 nan 0.000 0.411 564 M N -0.471 119.143 119.600 0.024 0.000 2.067 564 M HA -0.209 4.270 4.480 -0.000 0.000 0.260 564 M C 1.532 177.806 176.300 -0.043 0.000 1.069 564 M CA 1.560 56.693 55.300 -0.278 0.000 1.117 564 M CB -0.997 31.227 32.600 -0.627 0.000 1.334 564 M HN 0.148 nan 8.290 nan 0.000 0.407 565 D N 0.586 121.087 120.400 0.168 0.000 2.221 565 D HA -0.108 4.532 4.640 -0.000 0.000 0.204 565 D C 2.112 178.503 176.300 0.151 0.000 0.982 565 D CA 1.702 55.867 54.000 0.274 0.000 0.857 565 D CB -0.186 40.775 40.800 0.267 0.000 0.934 565 D HN 0.405 nan 8.370 nan 0.000 0.475 566 S N -0.427 115.313 115.700 0.066 0.000 2.428 566 S HA -0.072 4.398 4.470 -0.000 0.000 0.230 566 S C 2.191 176.628 174.600 -0.271 0.000 1.014 566 S CA 0.434 58.601 58.200 -0.055 0.000 0.957 566 S CB -0.451 62.739 63.200 -0.018 0.000 0.784 566 S HN 0.063 nan 8.310 nan 0.000 0.499 567 V N 1.255 120.975 119.914 -0.324 0.000 2.252 567 V HA -0.191 3.929 4.120 -0.000 0.000 0.249 567 V C 2.253 178.032 176.094 -0.524 0.000 1.056 567 V CA 2.235 64.226 62.300 -0.514 0.000 1.022 567 V CB -1.059 30.401 31.823 -0.605 0.000 0.641 567 V HN 0.532 nan 8.190 nan 0.000 0.445 568 F N 0.271 120.047 119.950 -0.290 0.000 2.325 568 F HA 0.090 4.617 4.527 -0.000 0.000 0.299 568 F C 2.271 177.990 175.800 -0.135 0.000 1.090 568 F CA 1.020 58.822 58.000 -0.331 0.000 1.392 568 F CB -0.817 37.752 39.000 -0.718 0.000 1.053 568 F HN 0.095 nan 8.300 nan 0.000 0.521 569 A N 0.179 123.037 122.820 0.063 0.000 1.975 569 A HA 0.138 4.458 4.320 -0.000 0.000 0.215 569 A C 1.152 178.735 177.584 -0.001 0.000 1.170 569 A CA 0.653 52.733 52.037 0.072 0.000 0.656 569 A CB -1.079 17.967 19.000 0.076 0.000 0.821 569 A HN 0.071 nan 8.150 nan 0.000 0.449 570 V N -2.381 117.476 119.914 -0.096 0.000 3.185 570 V HA 0.335 4.455 4.120 -0.000 0.000 0.305 570 V C -2.421 173.635 176.094 -0.063 0.000 1.090 570 V CA -2.187 60.041 62.300 -0.119 0.000 1.107 570 V CB -0.254 31.416 31.823 -0.254 0.000 1.061 570 V HN 0.234 nan 8.190 nan 0.000 0.480 571 P HA 0.222 nan 4.420 nan 0.000 0.271 571 P C -2.549 174.751 177.300 0.001 0.000 1.233 571 P CA -1.410 61.685 63.100 -0.007 0.000 0.789 571 P CB -0.435 31.260 31.700 -0.008 0.000 0.951 572 P HA 0.176 nan 4.420 nan 0.000 0.212 572 P C 0.015 177.442 177.300 0.212 0.000 1.816 572 P CA -0.259 62.920 63.100 0.132 0.000 0.944 572 P CB -0.611 31.180 31.700 0.151 0.000 1.896 573 I N 0.664 121.301 120.570 0.113 0.000 2.764 573 I HA 0.625 4.795 4.170 -0.000 0.000 0.294 573 I C -0.599 175.637 176.117 0.199 0.000 1.045 573 I CA -0.513 60.814 61.300 0.045 0.000 1.340 573 I CB 0.309 38.256 38.000 -0.087 0.000 1.436 573 I HN 0.023 nan 8.210 nan 0.000 0.567 574 F N 1.930 121.943 119.950 0.105 0.000 2.686 574 F HA 0.628 5.155 4.527 -0.000 0.000 0.311 574 F C -1.558 174.327 175.800 0.140 0.000 1.128 574 F CA -1.137 56.981 58.000 0.196 0.000 0.946 574 F CB 0.894 39.955 39.000 0.101 0.000 1.336 574 F HN 0.508 nan 8.300 nan 0.000 0.457 575 D N 1.144 121.808 120.400 0.440 0.000 2.481 575 D HA 0.222 4.862 4.640 -0.000 0.000 0.246 575 D C -0.488 176.075 176.300 0.438 0.000 1.109 575 D CA -0.393 53.789 54.000 0.304 0.000 0.845 575 D CB 1.470 42.401 40.800 0.219 0.000 1.160 575 D HN 0.720 nan 8.370 nan 0.000 0.534 576 D N 1.280 121.916 120.400 0.394 0.000 2.369 576 D HA -0.085 4.555 4.640 -0.000 0.000 0.211 576 D C 1.140 177.616 176.300 0.293 0.000 1.077 576 D CA 0.021 54.232 54.000 0.352 0.000 0.842 576 D CB -0.126 40.840 40.800 0.277 0.000 0.947 576 D HN 0.235 nan 8.370 nan 0.000 0.509 577 S N -0.238 115.603 115.700 0.234 0.000 2.440 577 S HA -0.279 4.190 4.470 -0.000 0.000 0.240 577 S C 1.857 176.551 174.600 0.157 0.000 1.014 577 S CA 0.642 58.943 58.200 0.168 0.000 0.980 577 S CB -1.001 62.282 63.200 0.137 0.000 0.775 577 S HN 0.427 nan 8.310 nan 0.000 0.499 578 Y N 1.108 121.419 120.300 0.019 0.000 2.395 578 Y HA 0.097 4.647 4.550 -0.000 0.000 0.293 578 Y C 1.488 177.247 175.900 -0.235 0.000 1.123 578 Y CA 0.569 58.582 58.100 -0.145 0.000 1.227 578 Y CB -0.220 38.086 38.460 -0.257 0.000 1.012 578 Y HN 0.235 nan 8.280 nan 0.000 0.552 579 Y N -0.770 119.526 120.300 -0.007 0.000 2.509 579 Y HA 0.284 4.834 4.550 -0.000 0.000 0.270 579 Y C 2.178 178.037 175.900 -0.068 0.000 1.103 579 Y CA 0.507 58.541 58.100 -0.111 0.000 1.278 579 Y CB 0.034 38.472 38.460 -0.038 0.000 1.087 579 Y HN 0.136 nan 8.280 nan 0.000 0.542 580 G N 0.395 109.265 108.800 0.118 0.000 2.179 580 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.260 580 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.260 580 G C 0.057 175.012 174.900 0.093 0.000 0.977 580 G CA 0.462 45.611 45.100 0.081 0.000 0.641 580 G HN 0.488 nan 8.290 nan 0.000 0.533 581 Q N -1.920 117.945 119.800 0.109 0.000 2.721 581 Q HA 0.513 4.853 4.340 -0.000 0.000 0.282 581 Q C -0.942 175.057 176.000 -0.003 0.000 0.932 581 Q CA -0.903 54.942 55.803 0.070 0.000 0.816 581 Q CB 1.111 29.897 28.738 0.080 0.000 1.506 581 Q HN 0.491 nan 8.270 nan 0.000 0.399 582 V N 3.538 123.422 119.914 -0.050 0.000 2.324 582 V HA 0.114 4.234 4.120 -0.000 0.000 0.244 582 V C 0.842 176.757 176.094 -0.299 0.000 1.144 582 V CA -0.058 62.110 62.300 -0.220 0.000 1.158 582 V CB -1.519 30.194 31.823 -0.184 0.000 1.254 582 V HN 0.629 nan 8.190 nan 0.000 0.492 583 I N 1.258 121.575 120.570 -0.421 0.000 2.993 583 I HA 0.175 4.345 4.170 -0.000 0.000 0.286 583 I C 1.789 177.592 176.117 -0.523 0.000 1.215 583 I CA -0.112 60.891 61.300 -0.496 0.000 1.393 583 I CB 0.283 37.861 38.000 -0.704 0.000 1.371 583 I HN 0.721 nan 8.210 nan 0.000 0.602 584 H N 1.470 120.269 119.070 -0.452 0.000 2.387 584 H HA -0.128 4.428 4.556 -0.000 0.000 0.299 584 H C 1.484 176.630 175.328 -0.303 0.000 1.099 584 H CA 1.762 57.612 56.048 -0.329 0.000 1.315 584 H CB -0.438 29.191 29.762 -0.222 0.000 1.380 584 H HN 0.754 nan 8.280 nan 0.000 0.513 585 E N 0.811 120.541 120.200 -0.783 0.000 2.110 585 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 585 E C 2.148 178.460 176.600 -0.480 0.000 0.988 585 E CA 1.407 57.518 56.400 -0.483 0.000 0.804 585 E CB -0.103 29.364 29.700 -0.388 0.000 0.745 585 E HN 0.593 nan 8.360 nan 0.000 0.458 586 I N 0.210 120.256 120.570 -0.873 0.000 2.163 586 I HA -0.264 3.906 4.170 -0.000 0.000 0.240 586 I C 2.476 178.192 176.117 -0.669 0.000 1.081 586 I CA 1.005 61.608 61.300 -1.161 0.000 1.353 586 I CB -0.130 36.956 38.000 -1.523 0.000 1.054 586 I HN 0.019 nan 8.210 nan 0.000 0.407 587 R N 1.408 121.601 120.500 -0.511 0.000 2.091 587 R HA -0.198 4.142 4.340 -0.000 0.000 0.238 587 R C 2.023 178.225 176.300 -0.164 0.000 1.136 587 R CA 1.684 57.607 56.100 -0.294 0.000 0.959 587 R CB -0.331 29.848 30.300 -0.202 0.000 0.856 587 R HN 0.352 nan 8.270 nan 0.000 0.437 588 E N -0.395 119.723 120.200 -0.136 0.000 2.118 588 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 588 E C 1.925 178.499 176.600 -0.043 0.000 0.992 588 E CA 1.694 58.060 56.400 -0.057 0.000 0.804 588 E CB -0.207 29.477 29.700 -0.025 0.000 0.741 588 E HN 0.380 nan 8.360 nan 0.000 0.458 589 M N 0.784 120.350 119.600 -0.058 0.000 2.086 589 M HA -0.182 4.298 4.480 -0.000 0.000 0.261 589 M C 2.410 178.728 176.300 0.030 0.000 1.067 589 M CA 2.126 57.432 55.300 0.011 0.000 1.116 589 M CB -0.349 32.314 32.600 0.104 0.000 1.348 589 M HN 0.223 nan 8.290 nan 0.000 0.407 590 T N -1.366 113.185 114.554 -0.004 0.000 2.759 590 T HA -0.121 4.229 4.350 -0.000 0.000 0.269 590 T C 1.522 176.250 174.700 0.047 0.000 1.042 590 T CA 1.682 63.810 62.100 0.046 0.000 1.140 590 T CB -1.505 67.390 68.868 0.045 0.000 0.864 590 T HN 0.479 nan 8.240 nan 0.000 0.455 591 V N -1.834 118.094 119.914 0.023 0.000 3.129 591 V HA 0.196 4.316 4.120 -0.000 0.000 0.259 591 V C 2.261 178.378 176.094 0.038 0.000 1.116 591 V CA 0.598 62.915 62.300 0.028 0.000 1.127 591 V CB -0.876 30.955 31.823 0.014 0.000 0.742 591 V HN 0.211 nan 8.190 nan 0.000 0.474 592 M N 0.942 120.570 119.600 0.046 0.000 2.492 592 M HA 0.211 4.690 4.480 -0.000 0.000 0.262 592 M C 1.231 177.579 176.300 0.081 0.000 1.090 592 M CA 0.627 55.963 55.300 0.059 0.000 1.110 592 M CB -1.717 30.922 32.600 0.065 0.000 1.407 592 M HN 0.741 nan 8.290 nan 0.000 0.470 593 N N 0.762 119.513 118.700 0.086 0.000 2.756 593 N HA -0.191 4.549 4.740 -0.000 0.000 0.248 593 N C -0.673 174.920 175.510 0.139 0.000 1.062 593 N CA 0.552 53.661 53.050 0.099 0.000 0.696 593 N CB -1.046 37.492 38.487 0.083 0.000 0.946 593 N HN 0.462 nan 8.380 nan 0.000 0.548 594 M N -0.316 119.377 119.600 0.155 0.000 3.189 594 M HA 0.306 4.785 4.480 -0.000 0.000 0.365 594 M C 1.264 177.667 176.300 0.172 0.000 1.447 594 M CA 0.104 55.532 55.300 0.214 0.000 0.739 594 M CB 0.596 33.364 32.600 0.280 0.000 1.411 594 M HN 0.383 nan 8.290 nan 0.000 0.494 595 G N 1.807 110.673 108.800 0.110 0.000 2.596 595 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.295 595 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.295 595 G C 0.321 175.239 174.900 0.030 0.000 1.240 595 G CA 0.241 45.360 45.100 0.031 0.000 0.985 595 G HN 0.617 nan 8.290 nan 0.000 0.555 596 N N 0.286 118.954 118.700 -0.054 0.000 2.362 596 N HA 0.063 4.803 4.740 -0.000 0.000 0.204 596 N C -0.020 175.548 175.510 0.095 0.000 1.166 596 N CA 0.065 53.136 53.050 0.036 0.000 0.831 596 N CB 0.098 38.508 38.487 -0.127 0.000 1.008 596 N HN 0.434 nan 8.380 nan 0.000 0.472 597 Y N 1.871 122.083 120.300 -0.145 0.000 2.594 597 Y HA 0.262 4.811 4.550 -0.000 0.000 0.344 597 Y C 0.264 176.123 175.900 -0.068 0.000 1.185 597 Y CA -1.027 56.953 58.100 -0.200 0.000 1.565 597 Y CB -0.205 38.066 38.460 -0.314 0.000 1.415 597 Y HN -0.031 nan 8.280 nan 0.000 0.488 598 A N 4.721 127.250 122.820 -0.485 0.000 3.063 598 A HA 0.069 4.388 4.320 -0.000 0.000 0.263 598 A C 1.166 178.394 177.584 -0.593 0.000 1.736 598 A CA -0.148 51.619 52.037 -0.450 0.000 1.408 598 A CB -1.117 17.587 19.000 -0.492 0.000 1.108 598 A HN 1.012 nan 8.150 nan 0.000 0.621 599 H N 1.339 119.941 119.070 -0.781 0.000 2.489 599 H HA -0.068 4.487 4.556 -0.000 0.000 0.293 599 H C 1.964 177.064 175.328 -0.381 0.000 1.066 599 H CA 1.964 57.607 56.048 -0.674 0.000 1.305 599 H CB 0.210 29.696 29.762 -0.460 0.000 1.386 599 H HN 0.536 nan 8.280 nan 0.000 0.551 600 G N -0.819 107.841 108.800 -0.233 0.000 2.776 600 G HA2 -0.140 3.819 3.960 -0.000 0.000 0.209 600 G HA3 -0.140 3.819 3.960 -0.000 0.000 0.209 600 G C 0.363 175.173 174.900 -0.150 0.000 1.145 600 G CA 0.084 45.091 45.100 -0.155 0.000 0.791 600 G HN 0.284 nan 8.290 nan 0.000 0.530 601 N N -1.715 116.857 118.700 -0.214 0.000 2.469 601 N HA 0.382 5.122 4.740 -0.000 0.000 0.286 601 N C 0.903 176.281 175.510 -0.219 0.000 1.275 601 N CA -0.668 52.307 53.050 -0.125 0.000 0.790 601 N CB 1.765 40.237 38.487 -0.025 0.000 1.446 601 N HN -0.198 nan 8.380 nan 0.000 0.501 602 Q N 0.276 119.997 119.800 -0.133 0.000 2.096 602 Q HA 0.151 4.491 4.340 -0.000 0.000 0.197 602 Q C -1.170 174.656 176.000 -0.290 0.000 0.964 602 Q CA 1.653 57.291 55.803 -0.276 0.000 0.838 602 Q CB -0.965 27.503 28.738 -0.449 0.000 0.906 602 Q HN 0.569 nan 8.270 nan 0.000 0.444 603 P HA -0.186 nan 4.420 nan 0.000 0.216 603 P C 0.920 178.129 177.300 -0.153 0.000 1.154 603 P CA 1.217 64.134 63.100 -0.306 0.000 0.865 603 P CB 0.051 31.473 31.700 -0.463 0.000 0.789 604 I N -1.348 119.091 120.570 -0.218 0.000 3.578 604 I HA -0.064 4.106 4.170 -0.000 0.000 0.295 604 I C 1.887 177.884 176.117 -0.200 0.000 1.280 604 I CA 0.472 61.634 61.300 -0.230 0.000 1.347 604 I CB -0.205 37.607 38.000 -0.312 0.000 1.051 604 I HN -0.109 nan 8.210 nan 0.000 0.460 605 Q N -0.016 119.702 119.800 -0.137 0.000 2.368 605 Q HA -0.236 4.103 4.340 -0.000 0.000 0.210 605 Q C 1.681 177.846 176.000 0.275 0.000 0.982 605 Q CA 1.431 57.180 55.803 -0.090 0.000 0.884 605 Q CB -0.147 28.454 28.738 -0.228 0.000 0.933 605 Q HN 0.727 nan 8.270 nan 0.000 0.460 606 H N -1.150 118.069 119.070 0.248 0.000 2.562 606 H HA 0.105 4.661 4.556 -0.000 0.000 0.267 606 H C 1.845 177.369 175.328 0.327 0.000 0.959 606 H CA 0.213 56.459 56.048 0.329 0.000 1.204 606 H CB -0.312 29.711 29.762 0.434 0.000 1.430 606 H HN 0.175 nan 8.280 nan 0.000 0.545 607 M N 1.570 120.874 119.600 -0.494 0.000 2.108 607 M HA -0.184 4.296 4.480 -0.000 0.000 0.257 607 M C 1.843 177.970 176.300 -0.287 0.000 1.071 607 M CA 1.697 56.657 55.300 -0.566 0.000 1.093 607 M CB -0.312 31.889 32.600 -0.665 0.000 1.345 607 M HN 0.267 nan 8.290 nan 0.000 0.403 608 I N -0.808 119.704 120.570 -0.097 0.000 2.567 608 I HA -0.303 3.867 4.170 -0.000 0.000 0.257 608 I C 1.695 177.809 176.117 -0.005 0.000 1.184 608 I CA 1.170 62.429 61.300 -0.069 0.000 1.451 608 I CB -0.592 37.387 38.000 -0.034 0.000 1.089 608 I HN 0.287 nan 8.210 nan 0.000 0.441 609 Y N -0.252 120.145 120.300 0.162 0.000 2.439 609 Y HA -0.134 4.415 4.550 -0.000 0.000 0.292 609 Y C 2.194 178.306 175.900 0.353 0.000 1.130 609 Y CA 0.372 58.631 58.100 0.266 0.000 1.254 609 Y CB -0.136 38.506 38.460 0.304 0.000 1.000 609 Y HN 0.053 nan 8.280 nan 0.000 0.554 610 L N -1.107 120.334 121.223 0.364 0.000 2.189 610 L HA -0.272 4.068 4.340 -0.000 0.000 0.214 610 L C 1.781 178.906 176.870 0.424 0.000 1.097 610 L CA 1.485 56.550 54.840 0.375 0.000 0.764 610 L CB -1.506 40.672 42.059 0.198 0.000 0.900 610 L HN 0.270 nan 8.230 nan 0.000 0.436 611 Y N 0.144 120.601 120.300 0.260 0.000 2.241 611 Y HA -0.272 4.278 4.550 -0.000 0.000 0.286 611 Y C 2.343 178.317 175.900 0.124 0.000 1.166 611 Y CA 1.393 59.586 58.100 0.155 0.000 1.203 611 Y CB -0.655 37.819 38.460 0.024 0.000 0.977 611 Y HN 0.291 nan 8.280 nan 0.000 0.529 612 D N -1.836 118.769 120.400 0.343 0.000 2.178 612 D HA -0.164 4.476 4.640 -0.000 0.000 0.202 612 D C 1.664 178.030 176.300 0.110 0.000 0.974 612 D CA 1.240 55.346 54.000 0.177 0.000 0.841 612 D CB -0.429 40.464 40.800 0.155 0.000 0.953 612 D HN 0.374 nan 8.370 nan 0.000 0.478 613 Y N 0.218 120.598 120.300 0.133 0.000 2.457 613 Y HA 0.191 4.741 4.550 -0.000 0.000 0.292 613 Y C 2.153 178.049 175.900 -0.006 0.000 1.125 613 Y CA 0.577 58.706 58.100 0.047 0.000 1.254 613 Y CB -0.083 38.367 38.460 -0.016 0.000 1.012 613 Y HN -0.071 nan 8.280 nan 0.000 0.555 614 A N -0.697 122.247 122.820 0.208 0.000 2.275 614 A HA 0.466 4.786 4.320 -0.000 0.000 0.212 614 A C 1.881 179.527 177.584 0.104 0.000 1.201 614 A CA 0.697 52.827 52.037 0.156 0.000 0.843 614 A CB -0.739 18.470 19.000 0.349 0.000 0.873 614 A HN 0.514 nan 8.150 nan 0.000 0.492 615 G N -0.976 107.857 108.800 0.054 0.000 2.132 615 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.234 615 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.234 615 G C -0.065 174.715 174.900 -0.199 0.000 0.989 615 G CA 0.240 45.341 45.100 0.002 0.000 0.676 615 G HN 0.568 nan 8.290 nan 0.000 0.522 616 Q N -0.397 119.175 119.800 -0.380 0.000 2.928 616 Q HA 0.211 4.550 4.340 -0.000 0.000 0.353 616 Q C -1.797 173.636 176.000 -0.944 0.000 0.870 616 Q CA -1.496 53.594 55.803 -1.187 0.000 0.963 616 Q CB 1.928 30.135 28.738 -0.885 0.000 1.419 616 Q HN 0.343 nan 8.270 nan 0.000 0.396 617 P HA -0.162 nan 4.420 nan 0.000 0.223 617 P C 0.760 178.032 177.300 -0.046 0.000 1.151 617 P CA 0.857 63.879 63.100 -0.130 0.000 0.787 617 P CB -0.076 31.654 31.700 0.051 0.000 0.788 618 W N 1.384 122.747 121.300 0.105 0.000 2.392 618 W HA 0.063 4.723 4.660 -0.000 0.000 0.279 618 W C 1.761 178.375 176.519 0.159 0.000 1.225 618 W CA 0.818 58.279 57.345 0.193 0.000 1.233 618 W CB -1.497 28.013 29.460 0.082 0.000 1.122 618 W HN -0.162 nan 8.180 nan 0.000 0.561 619 K N 0.596 120.787 120.400 -0.347 0.000 2.155 619 K HA 0.033 4.353 4.320 -0.000 0.000 0.203 619 K C 2.461 178.889 176.600 -0.288 0.000 1.052 619 K CA 1.239 57.270 56.287 -0.426 0.000 0.948 619 K CB -0.383 31.471 32.500 -1.076 0.000 0.728 619 K HN 0.233 nan 8.250 nan 0.000 0.448 620 A N 1.457 124.172 122.820 -0.175 0.000 1.898 620 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 620 A C 2.023 179.601 177.584 -0.009 0.000 1.181 620 A CA 1.211 53.275 52.037 0.044 0.000 0.620 620 A CB -0.433 18.616 19.000 0.082 0.000 0.819 620 A HN 0.258 nan 8.150 nan 0.000 0.442 621 Q N -1.893 117.932 119.800 0.042 0.000 2.152 621 Q HA -0.244 4.096 4.340 -0.000 0.000 0.206 621 Q C 1.962 177.920 176.000 -0.071 0.000 0.985 621 Q CA 2.088 57.916 55.803 0.041 0.000 0.863 621 Q CB -0.417 28.426 28.738 0.175 0.000 0.904 621 Q HN 0.854 nan 8.270 nan 0.000 0.422 622 Y N -0.847 119.334 120.300 -0.198 0.000 2.133 622 Y HA -0.232 4.318 4.550 -0.000 0.000 0.287 622 Y C 1.472 176.982 175.900 -0.650 0.000 1.134 622 Y CA 1.537 59.355 58.100 -0.470 0.000 1.133 622 Y CB -0.331 37.864 38.460 -0.441 0.000 0.987 622 Y HN 0.119 nan 8.280 nan 0.000 0.502 623 W N 0.052 121.131 121.300 -0.367 0.000 2.436 623 W HA -0.063 4.597 4.660 -0.000 0.000 0.284 623 W C 2.153 178.414 176.519 -0.430 0.000 1.225 623 W CA 0.798 57.831 57.345 -0.520 0.000 1.271 623 W CB -0.239 28.904 29.460 -0.529 0.000 1.114 623 W HN 0.044 nan 8.180 nan 0.000 0.559 624 L N -0.037 121.118 121.223 -0.112 0.000 2.056 624 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 624 L C 2.617 179.393 176.870 -0.157 0.000 1.078 624 L CA 1.038 55.833 54.840 -0.074 0.000 0.749 624 L CB -0.712 41.251 42.059 -0.161 0.000 0.901 624 L HN -0.130 nan 8.230 nan 0.000 0.433 625 R N 0.062 120.348 120.500 -0.356 0.000 2.096 625 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 625 R C 2.311 178.335 176.300 -0.459 0.000 1.127 625 R CA 1.405 57.228 56.100 -0.462 0.000 0.968 625 R CB -0.373 29.474 30.300 -0.754 0.000 0.861 625 R HN 0.313 nan 8.270 nan 0.000 0.440 626 Q N -0.229 119.229 119.800 -0.571 0.000 2.061 626 Q HA -0.112 4.228 4.340 -0.000 0.000 0.204 626 Q C 2.141 178.050 176.000 -0.151 0.000 0.984 626 Q CA 1.938 57.485 55.803 -0.426 0.000 0.846 626 Q CB -0.436 28.008 28.738 -0.490 0.000 0.902 626 Q HN 0.278 nan 8.270 nan 0.000 0.421 627 V N 0.957 120.836 119.914 -0.059 0.000 2.407 627 V HA -0.251 3.868 4.120 -0.000 0.000 0.248 627 V C 2.374 178.571 176.094 0.172 0.000 1.055 627 V CA 1.574 63.888 62.300 0.025 0.000 1.049 627 V CB -0.530 31.268 31.823 -0.040 0.000 0.662 627 V HN 0.318 nan 8.190 nan 0.000 0.455 628 M N -0.377 119.321 119.600 0.163 0.000 2.132 628 M HA -0.159 4.320 4.480 -0.000 0.000 0.263 628 M C 1.903 178.317 176.300 0.190 0.000 1.065 628 M CA 1.804 57.227 55.300 0.206 0.000 1.122 628 M CB -0.447 32.121 32.600 -0.053 0.000 1.365 628 M HN 0.292 nan 8.290 nan 0.000 0.411 629 D N -0.355 120.056 120.400 0.019 0.000 2.183 629 D HA -0.054 4.585 4.640 -0.000 0.000 0.203 629 D C 1.935 178.250 176.300 0.026 0.000 0.969 629 D CA 1.071 55.062 54.000 -0.015 0.000 0.842 629 D CB 0.074 40.798 40.800 -0.127 0.000 0.957 629 D HN 0.284 nan 8.370 nan 0.000 0.484 630 R N -1.009 119.514 120.500 0.038 0.000 2.250 630 R HA 0.237 4.577 4.340 -0.000 0.000 0.194 630 R C 1.374 177.704 176.300 0.050 0.000 0.927 630 R CA 0.110 56.227 56.100 0.028 0.000 1.052 630 R CB 0.335 30.636 30.300 0.002 0.000 1.055 630 R HN 0.075 nan 8.270 nan 0.000 0.537 631 M N -0.252 119.407 119.600 0.099 0.000 2.441 631 M HA 0.180 4.660 4.480 -0.000 0.000 0.244 631 M C -0.585 175.639 176.300 -0.126 0.000 1.122 631 M CA 0.576 55.872 55.300 -0.007 0.000 1.041 631 M CB 0.227 32.779 32.600 -0.080 0.000 1.438 631 M HN -0.085 nan 8.290 nan 0.000 0.484 632 Y N 0.076 120.386 120.300 0.017 0.000 2.373 632 Y HA 0.466 5.015 4.550 -0.000 0.000 0.336 632 Y C 0.434 176.265 175.900 -0.114 0.000 0.979 632 Y CA -1.293 56.757 58.100 -0.083 0.000 1.080 632 Y CB 1.508 39.895 38.460 -0.122 0.000 1.190 632 Y HN -0.001 nan 8.280 nan 0.000 0.446 633 T N -0.414 114.110 114.554 -0.051 0.000 2.906 633 T HA 0.419 4.768 4.350 -0.000 0.000 0.295 633 T C -2.522 172.109 174.700 -0.116 0.000 1.075 633 T CA -2.403 59.661 62.100 -0.059 0.000 1.005 633 T CB 2.569 71.407 68.868 -0.050 0.000 1.136 633 T HN 0.290 nan 8.240 nan 0.000 0.498 634 P HA 0.170 nan 4.420 nan 0.000 0.236 634 P C 0.951 178.207 177.300 -0.074 0.000 1.177 634 P CA 0.203 63.265 63.100 -0.063 0.000 0.773 634 P CB -0.247 31.454 31.700 0.002 0.000 0.878 635 G N 1.461 110.206 108.800 -0.091 0.000 2.563 635 G HA2 0.219 4.179 3.960 -0.000 0.000 0.283 635 G HA3 0.219 4.179 3.960 -0.000 0.000 0.283 635 G C -1.661 173.146 174.900 -0.154 0.000 1.309 635 G CA -1.108 43.922 45.100 -0.116 0.000 1.022 635 G HN -0.079 nan 8.290 nan 0.000 0.501 636 P HA 0.003 nan 4.420 nan 0.000 0.222 636 P C 0.467 177.676 177.300 -0.151 0.000 1.147 636 P CA 1.127 64.042 63.100 -0.307 0.000 0.790 636 P CB 0.180 31.342 31.700 -0.898 0.000 0.780 637 D N -1.363 118.956 120.400 -0.135 0.000 3.058 637 D HA 0.134 4.774 4.640 -0.000 0.000 0.272 637 D C 1.423 177.691 176.300 -0.053 0.000 1.350 637 D CA -0.534 53.438 54.000 -0.047 0.000 0.863 637 D CB -0.898 39.879 40.800 -0.039 0.000 1.064 637 D HN 0.019 nan 8.370 nan 0.000 0.488 638 G N -0.439 108.302 108.800 -0.099 0.000 2.448 638 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.218 638 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.218 638 G C 0.202 174.921 174.900 -0.302 0.000 1.135 638 G CA 0.321 45.288 45.100 -0.222 0.000 0.784 638 G HN 0.280 nan 8.290 nan 0.000 0.543 639 Y N -1.202 119.059 120.300 -0.066 0.000 2.458 639 Y HA 0.334 4.884 4.550 -0.000 0.000 0.322 639 Y C 1.630 177.447 175.900 -0.138 0.000 1.259 639 Y CA -0.890 57.119 58.100 -0.151 0.000 1.302 639 Y CB 1.132 39.540 38.460 -0.086 0.000 1.314 639 Y HN 0.064 nan 8.280 nan 0.000 0.509 640 C N -1.700 117.594 119.300 -0.009 0.000 2.855 640 C HA 0.809 5.269 4.460 -0.000 0.000 0.279 640 C C 0.679 175.680 174.990 0.019 0.000 1.270 640 C CA 0.104 59.113 59.018 -0.015 0.000 1.702 640 C CB -1.352 26.353 27.740 -0.058 0.000 1.949 640 C HN 0.943 nan 8.230 nan 0.000 0.618 641 G N -0.392 108.437 108.800 0.048 0.000 2.428 641 G HA2 0.424 4.384 3.960 -0.000 0.000 0.304 641 G HA3 0.424 4.384 3.960 -0.000 0.000 0.304 641 G C -2.166 172.765 174.900 0.052 0.000 1.303 641 G CA -0.547 44.592 45.100 0.066 0.000 0.825 641 G HN 0.065 nan 8.290 nan 0.000 0.484 642 D N 0.464 120.925 120.400 0.101 0.000 2.525 642 D HA 0.122 4.762 4.640 -0.000 0.000 0.235 642 D C 1.265 177.508 176.300 -0.096 0.000 1.137 642 D CA -0.083 53.958 54.000 0.068 0.000 0.868 642 D CB 1.618 42.546 40.800 0.214 0.000 1.180 642 D HN 0.434 nan 8.370 nan 0.000 0.465 643 E N 1.311 121.363 120.200 -0.247 0.000 2.107 643 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 643 E C -0.421 176.099 176.600 -0.133 0.000 0.982 643 E CA 0.602 56.744 56.400 -0.431 0.000 0.809 643 E CB 0.119 29.467 29.700 -0.586 0.000 0.756 643 E HN 0.403 nan 8.360 nan 0.000 0.459 644 D N 0.511 120.895 120.400 -0.026 0.000 2.746 644 D HA -0.215 4.424 4.640 -0.000 0.000 0.241 644 D C -0.552 175.776 176.300 0.048 0.000 1.140 644 D CA 1.030 55.074 54.000 0.074 0.000 0.707 644 D CB -1.935 38.948 40.800 0.139 0.000 1.034 644 D HN 0.416 nan 8.370 nan 0.000 0.423 645 N N -1.365 117.325 118.700 -0.018 0.000 2.741 645 N HA -0.235 4.505 4.740 -0.000 0.000 0.251 645 N C 1.106 176.710 175.510 0.157 0.000 1.112 645 N CA 1.833 54.871 53.050 -0.020 0.000 0.750 645 N CB -1.061 37.325 38.487 -0.168 0.000 1.119 645 N HN 0.765 nan 8.380 nan 0.000 0.561 646 G N -1.409 107.464 108.800 0.122 0.000 2.316 646 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.203 646 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.203 646 G C 0.631 175.621 174.900 0.150 0.000 0.999 646 G CA 0.711 45.890 45.100 0.132 0.000 0.649 646 G HN 0.413 nan 8.290 nan 0.000 0.489 647 Q N 1.381 121.263 119.800 0.137 0.000 1.993 647 Q HA -0.010 4.330 4.340 -0.000 0.000 0.202 647 Q C 2.463 178.612 176.000 0.249 0.000 0.984 647 Q CA 3.290 59.193 55.803 0.167 0.000 0.837 647 Q CB -1.040 27.756 28.738 0.098 0.000 0.902 647 Q HN 0.467 nan 8.270 nan 0.000 0.423 648 T N 0.137 114.799 114.554 0.180 0.000 2.833 648 T HA -0.089 4.261 4.350 -0.000 0.000 0.269 648 T C 1.959 176.983 174.700 0.540 0.000 1.054 648 T CA 1.321 63.579 62.100 0.263 0.000 1.135 648 T CB -0.331 68.570 68.868 0.055 0.000 0.869 648 T HN 0.282 nan 8.240 nan 0.000 0.466 649 S N 1.550 117.501 115.700 0.420 0.000 2.368 649 S HA 0.036 4.505 4.470 -0.000 0.000 0.224 649 S C 2.581 177.420 174.600 0.399 0.000 1.029 649 S CA 0.878 59.367 58.200 0.481 0.000 0.988 649 S CB -0.482 62.912 63.200 0.323 0.000 0.838 649 S HN 0.596 nan 8.310 nan 0.000 0.462 650 A N 0.138 123.159 122.820 0.335 0.000 2.014 650 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 650 A C 1.733 179.584 177.584 0.445 0.000 1.163 650 A CA 0.848 53.045 52.037 0.266 0.000 0.652 650 A CB -0.950 18.186 19.000 0.226 0.000 0.808 650 A HN 0.701 nan 8.150 nan 0.000 0.449 651 W N -0.718 120.842 121.300 0.433 0.000 2.325 651 W HA -0.282 4.378 4.660 -0.000 0.000 0.299 651 W C 1.940 178.693 176.519 0.391 0.000 1.215 651 W CA 2.122 59.797 57.345 0.550 0.000 1.244 651 W CB -0.292 29.479 29.460 0.519 0.000 1.140 651 W HN 0.489 nan 8.180 nan 0.000 0.523 652 Y N -0.261 120.296 120.300 0.427 0.000 2.243 652 Y HA -0.167 4.383 4.550 -0.000 0.000 0.293 652 Y C 2.247 178.124 175.900 -0.039 0.000 1.124 652 Y CA 2.255 60.383 58.100 0.047 0.000 1.159 652 Y CB -0.732 37.548 38.460 -0.299 0.000 1.008 652 Y HN -0.191 nan 8.280 nan 0.000 0.527 653 V N -0.248 119.694 119.914 0.046 0.000 2.261 653 V HA -0.302 3.818 4.120 -0.000 0.000 0.246 653 V C 2.097 178.111 176.094 -0.134 0.000 1.047 653 V CA 2.032 64.204 62.300 -0.212 0.000 1.015 653 V CB -0.940 30.658 31.823 -0.374 0.000 0.642 653 V HN 0.299 nan 8.190 nan 0.000 0.446 654 F N 1.293 121.174 119.950 -0.115 0.000 2.026 654 F HA -0.185 4.342 4.527 -0.000 0.000 0.296 654 F C 2.795 178.379 175.800 -0.359 0.000 1.133 654 F CA 2.040 59.897 58.000 -0.238 0.000 1.188 654 F CB -1.095 37.849 39.000 -0.093 0.000 0.968 654 F HN 0.046 nan 8.300 nan 0.000 0.476 655 S N -0.133 115.445 115.700 -0.204 0.000 2.419 655 S HA -0.182 4.288 4.470 -0.000 0.000 0.235 655 S C 2.168 176.576 174.600 -0.320 0.000 1.019 655 S CA 0.912 58.889 58.200 -0.371 0.000 0.982 655 S CB -0.727 61.914 63.200 -0.933 0.000 0.789 655 S HN 0.389 nan 8.310 nan 0.000 0.490 656 A N 0.974 123.598 122.820 -0.327 0.000 2.016 656 A HA 0.189 4.509 4.320 -0.000 0.000 0.217 656 A C 1.984 179.510 177.584 -0.096 0.000 1.162 656 A CA 0.666 52.541 52.037 -0.270 0.000 0.662 656 A CB -0.404 18.492 19.000 -0.173 0.000 0.812 656 A HN 0.467 nan 8.150 nan 0.000 0.450 657 L N -1.941 119.210 121.223 -0.121 0.000 2.209 657 L HA 0.186 4.526 4.340 -0.000 0.000 0.207 657 L C 1.751 178.518 176.870 -0.172 0.000 1.094 657 L CA 0.920 55.659 54.840 -0.169 0.000 0.790 657 L CB -0.097 41.737 42.059 -0.374 0.000 0.932 657 L HN 0.555 nan 8.230 nan 0.000 0.447 658 G N -0.318 108.347 108.800 -0.225 0.000 2.173 658 G HA2 -0.162 3.797 3.960 -0.000 0.000 0.142 658 G HA3 -0.162 3.797 3.960 -0.000 0.000 0.142 658 G C -0.116 174.911 174.900 0.213 0.000 1.019 658 G CA -0.169 44.941 45.100 0.018 0.000 0.699 658 G HN 0.242 nan 8.290 nan 0.000 0.495 659 F N -1.807 118.251 119.950 0.180 0.000 2.686 659 F HA 0.849 5.376 4.527 -0.000 0.000 0.311 659 F C -1.139 174.696 175.800 0.057 0.000 1.128 659 F CA -2.545 55.552 58.000 0.162 0.000 0.946 659 F CB 1.216 40.306 39.000 0.151 0.000 1.336 659 F HN 0.225 nan 8.300 nan 0.000 0.457 660 Y N 1.723 121.915 120.300 -0.180 0.000 2.482 660 Y HA 0.543 5.093 4.550 -0.000 0.000 0.334 660 Y C -2.882 172.729 175.900 -0.481 0.000 1.091 660 Y CA -2.394 55.313 58.100 -0.655 0.000 1.027 660 Y CB 3.154 40.944 38.460 -1.116 0.000 1.306 660 Y HN 0.460 nan 8.280 nan 0.000 0.446 661 P HA 0.052 nan 4.420 nan 0.000 0.244 661 P C 0.658 177.679 177.300 -0.465 0.000 1.769 661 P CA 0.345 63.047 63.100 -0.663 0.000 1.102 661 P CB 0.536 31.819 31.700 -0.695 0.000 1.937 662 V N 1.019 120.875 119.914 -0.096 0.000 2.317 662 V HA -0.224 3.895 4.120 -0.000 0.000 0.251 662 V C 1.466 177.588 176.094 0.047 0.000 1.065 662 V CA 1.785 64.185 62.300 0.167 0.000 1.049 662 V CB -0.428 31.602 31.823 0.345 0.000 0.651 662 V HN 0.513 nan 8.190 nan 0.000 0.450 663 C N 2.685 121.973 119.300 -0.021 0.000 2.492 663 C HA 0.473 4.933 4.460 -0.000 0.000 0.284 663 C C -2.481 172.477 174.990 -0.053 0.000 1.082 663 C CA -2.217 56.785 59.018 -0.027 0.000 1.555 663 C CB -0.072 27.664 27.740 -0.006 0.000 1.798 663 C HN 0.324 nan 8.230 nan 0.000 0.413 664 P HA 0.309 nan 4.420 nan 0.000 0.268 664 P C 0.801 178.186 177.300 0.141 0.000 1.204 664 P CA 1.509 64.608 63.100 -0.003 0.000 0.768 664 P CB 0.784 32.514 31.700 0.049 0.000 0.842 665 G N 1.451 110.283 108.800 0.053 0.000 2.278 665 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.210 665 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.210 665 G C 0.315 175.285 174.900 0.118 0.000 1.000 665 G CA 0.274 45.457 45.100 0.138 0.000 0.635 665 G HN 0.871 nan 8.290 nan 0.000 0.495 666 T N -0.735 113.848 114.554 0.048 0.000 2.923 666 T HA 0.536 4.886 4.350 -0.000 0.000 0.281 666 T C 0.545 175.129 174.700 -0.193 0.000 0.995 666 T CA 0.565 62.608 62.100 -0.096 0.000 0.985 666 T CB 1.810 70.570 68.868 -0.179 0.000 1.114 666 T HN 0.321 nan 8.240 nan 0.000 0.548 667 D N -0.823 119.469 120.400 -0.179 0.000 2.460 667 D HA 0.149 4.789 4.640 -0.000 0.000 0.229 667 D C -0.065 176.116 176.300 -0.199 0.000 1.170 667 D CA -0.352 53.540 54.000 -0.180 0.000 0.827 667 D CB -0.208 40.561 40.800 -0.052 0.000 0.973 667 D HN 0.696 nan 8.370 nan 0.000 0.496 668 E N -0.101 119.910 120.200 -0.315 0.000 2.195 668 E HA 0.380 4.729 4.350 -0.000 0.000 0.271 668 E C -1.092 175.249 176.600 -0.432 0.000 0.923 668 E CA -0.867 55.398 56.400 -0.225 0.000 0.790 668 E CB 1.535 31.136 29.700 -0.165 0.000 1.155 668 E HN 0.131 nan 8.360 nan 0.000 0.402 669 Y N 0.491 120.814 120.300 0.039 0.000 2.332 669 Y HA 0.240 4.790 4.550 -0.000 0.000 0.326 669 Y C -0.224 175.749 175.900 0.122 0.000 0.978 669 Y CA -0.980 57.136 58.100 0.028 0.000 1.205 669 Y CB 1.275 39.750 38.460 0.025 0.000 1.131 669 Y HN 0.211 nan 8.280 nan 0.000 0.462 670 V N 4.818 124.858 119.914 0.211 0.000 2.555 670 V HA 0.069 4.189 4.120 -0.000 0.000 0.286 670 V C 0.421 176.727 176.094 0.354 0.000 1.044 670 V CA -0.494 61.960 62.300 0.257 0.000 1.026 670 V CB 0.784 32.763 31.823 0.260 0.000 0.981 670 V HN 0.741 nan 8.190 nan 0.000 0.480 671 M N 4.594 124.418 119.600 0.373 0.000 2.238 671 M HA 0.503 4.983 4.480 -0.000 0.000 0.347 671 M C 0.649 177.223 176.300 0.458 0.000 1.173 671 M CA 0.905 56.439 55.300 0.390 0.000 1.147 671 M CB 0.875 33.641 32.600 0.276 0.000 1.547 671 M HN 0.803 nan 8.290 nan 0.000 0.455 672 G N 0.948 109.996 108.800 0.415 0.000 3.244 672 G HA2 0.496 4.455 3.960 -0.000 0.000 0.197 672 G HA3 0.496 4.455 3.960 -0.000 0.000 0.197 672 G C -1.024 173.960 174.900 0.140 0.000 1.531 672 G CA -0.004 45.255 45.100 0.265 0.000 0.747 672 G HN 0.664 nan 8.290 nan 0.000 0.763 673 T N 2.006 116.598 114.554 0.064 0.000 3.032 673 T HA 0.609 4.959 4.350 -0.000 0.000 0.312 673 T C -3.032 171.655 174.700 -0.021 0.000 1.078 673 T CA -1.158 60.962 62.100 0.035 0.000 1.028 673 T CB 2.130 71.005 68.868 0.012 0.000 1.091 673 T HN 0.247 nan 8.240 nan 0.000 0.457 674 P HA 0.213 nan 4.420 nan 0.000 0.275 674 P C 0.421 177.642 177.300 -0.132 0.000 1.228 674 P CA -0.527 62.546 63.100 -0.046 0.000 0.786 674 P CB 1.140 32.848 31.700 0.013 0.000 0.927 675 L N 1.891 122.961 121.223 -0.254 0.000 2.354 675 L HA 0.285 4.624 4.340 -0.000 0.000 0.212 675 L C 0.492 177.006 176.870 -0.593 0.000 1.091 675 L CA 1.121 55.661 54.840 -0.499 0.000 0.828 675 L CB -0.350 41.239 42.059 -0.784 0.000 0.973 675 L HN 0.175 nan 8.230 nan 0.000 0.461 676 F N -0.881 118.991 119.950 -0.130 0.000 2.509 676 F HA 0.371 4.897 4.527 -0.000 0.000 0.334 676 F C 1.568 177.330 175.800 -0.064 0.000 1.060 676 F CA -0.674 57.261 58.000 -0.107 0.000 0.997 676 F CB 0.693 39.610 39.000 -0.139 0.000 1.271 676 F HN -0.362 nan 8.300 nan 0.000 0.488 677 K N -0.058 120.448 120.400 0.178 0.000 2.116 677 K HA 0.033 4.353 4.320 -0.000 0.000 0.203 677 K C 0.296 176.942 176.600 0.076 0.000 1.052 677 K CA 0.969 57.312 56.287 0.094 0.000 0.952 677 K CB 0.269 32.817 32.500 0.080 0.000 0.729 677 K HN 0.343 nan 8.250 nan 0.000 0.446 678 K N 0.135 120.584 120.400 0.081 0.000 2.468 678 K HA 0.490 4.810 4.320 -0.000 0.000 0.252 678 K C -1.999 174.591 176.600 -0.016 0.000 0.932 678 K CA -0.500 55.805 56.287 0.031 0.000 0.794 678 K CB 2.240 34.752 32.500 0.020 0.000 1.241 678 K HN 0.003 nan 8.250 nan 0.000 0.428 679 A N 2.072 124.868 122.820 -0.040 0.000 2.422 679 A HA 0.608 4.928 4.320 -0.000 0.000 0.302 679 A C -1.195 176.325 177.584 -0.107 0.000 1.041 679 A CA -0.591 51.382 52.037 -0.106 0.000 0.708 679 A CB 1.737 20.681 19.000 -0.094 0.000 1.257 679 A HN 0.550 nan 8.150 nan 0.000 0.414 680 T N 3.187 117.650 114.554 -0.152 0.000 2.809 680 T HA 0.539 4.889 4.350 -0.000 0.000 0.284 680 T C -0.510 173.959 174.700 -0.385 0.000 0.992 680 T CA -0.239 61.710 62.100 -0.251 0.000 0.957 680 T CB 0.621 69.345 68.868 -0.240 0.000 0.942 680 T HN 0.470 nan 8.240 nan 0.000 0.439 681 L N 4.439 125.371 121.223 -0.485 0.000 2.265 681 L HA 0.426 4.766 4.340 -0.000 0.000 0.289 681 L C 0.122 176.420 176.870 -0.953 0.000 1.033 681 L CA -0.898 53.554 54.840 -0.647 0.000 0.814 681 L CB 0.494 42.163 42.059 -0.651 0.000 1.203 681 L HN 0.584 nan 8.230 nan 0.000 0.423 682 H N 4.331 123.085 119.070 -0.528 0.000 2.690 682 H HA 0.300 4.856 4.556 -0.000 0.000 0.289 682 H C -0.358 174.709 175.328 -0.435 0.000 1.089 682 H CA -0.390 55.410 56.048 -0.415 0.000 1.299 682 H CB 0.633 30.264 29.762 -0.217 0.000 1.405 682 H HN 0.309 nan 8.280 nan 0.000 0.463 683 F N 0.743 120.654 119.950 -0.065 0.000 2.375 683 F HA 0.070 4.597 4.527 -0.000 0.000 0.313 683 F C 1.993 177.686 175.800 -0.179 0.000 1.176 683 F CA -0.488 57.399 58.000 -0.189 0.000 1.142 683 F CB 0.781 39.552 39.000 -0.381 0.000 1.275 683 F HN 0.460 nan 8.300 nan 0.000 0.544 684 E N 0.247 120.447 120.200 0.001 0.000 2.347 684 E HA -0.177 4.173 4.350 -0.000 0.000 0.196 684 E C 1.393 177.953 176.600 -0.067 0.000 1.008 684 E CA 0.926 57.306 56.400 -0.033 0.000 0.852 684 E CB -0.171 29.515 29.700 -0.022 0.000 0.783 684 E HN 0.550 nan 8.360 nan 0.000 0.505 685 N N -0.466 118.146 118.700 -0.147 0.000 2.461 685 N HA -0.026 4.713 4.740 -0.000 0.000 0.188 685 N C 1.192 176.666 175.510 -0.059 0.000 1.134 685 N CA 1.108 54.072 53.050 -0.143 0.000 0.878 685 N CB 0.588 38.907 38.487 -0.280 0.000 0.972 685 N HN 0.147 nan 8.380 nan 0.000 0.456 686 G N -0.848 107.945 108.800 -0.011 0.000 2.232 686 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.226 686 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.226 686 G C -0.304 174.629 174.900 0.055 0.000 0.996 686 G CA -0.131 44.981 45.100 0.021 0.000 0.626 686 G HN 0.451 nan 8.290 nan 0.000 0.509 687 N N 1.087 119.834 118.700 0.078 0.000 2.530 687 N HA 0.600 5.340 4.740 -0.000 0.000 0.277 687 N C -0.239 175.374 175.510 0.172 0.000 1.168 687 N CA 0.413 53.543 53.050 0.134 0.000 0.979 687 N CB 1.455 40.030 38.487 0.147 0.000 1.141 687 N HN 0.266 nan 8.380 nan 0.000 0.459 688 S N 0.910 116.662 115.700 0.086 0.000 2.566 688 S HA 0.531 5.001 4.470 -0.000 0.000 0.298 688 S C -0.892 173.696 174.600 -0.021 0.000 1.083 688 S CA -0.749 57.395 58.200 -0.092 0.000 0.978 688 S CB 1.592 64.707 63.200 -0.142 0.000 1.073 688 S HN 0.342 nan 8.310 nan 0.000 0.491 689 L N 3.368 124.512 121.223 -0.131 0.000 2.406 689 L HA 0.602 4.942 4.340 -0.000 0.000 0.272 689 L C -1.406 175.403 176.870 -0.102 0.000 0.980 689 L CA -0.584 54.251 54.840 -0.009 0.000 0.831 689 L CB 1.487 43.645 42.059 0.165 0.000 1.253 689 L HN 0.464 nan 8.230 nan 0.000 0.406 690 V N 6.444 126.323 119.914 -0.058 0.000 2.407 690 V HA 0.398 4.518 4.120 -0.000 0.000 0.278 690 V C 0.422 176.489 176.094 -0.044 0.000 1.037 690 V CA -0.378 61.885 62.300 -0.061 0.000 0.900 690 V CB 1.742 33.544 31.823 -0.035 0.000 0.983 690 V HN 0.551 nan 8.190 nan 0.000 0.459 691 I N 4.459 125.007 120.570 -0.035 0.000 2.307 691 I HA 0.336 4.506 4.170 -0.000 0.000 0.289 691 I C -0.080 176.036 176.117 -0.001 0.000 1.021 691 I CA 0.033 61.323 61.300 -0.017 0.000 1.224 691 I CB 0.967 38.984 38.000 0.029 0.000 1.376 691 I HN 0.544 nan 8.210 nan 0.000 0.470 692 D N 6.732 127.131 120.400 -0.001 0.000 2.414 692 D HA 0.497 5.137 4.640 -0.000 0.000 0.232 692 D C -0.597 175.714 176.300 0.020 0.000 1.070 692 D CA -0.207 53.799 54.000 0.011 0.000 0.839 692 D CB 1.969 42.775 40.800 0.010 0.000 1.079 692 D HN 0.603 nan 8.370 nan 0.000 0.521 693 A N 5.108 127.945 122.820 0.028 0.000 3.297 693 A HA 0.332 4.651 4.320 -0.000 0.000 0.304 693 A C -1.823 175.778 177.584 0.028 0.000 0.963 693 A CA -0.829 51.225 52.037 0.029 0.000 0.935 693 A CB 0.759 19.778 19.000 0.031 0.000 1.093 693 A HN 0.329 nan 8.150 nan 0.000 0.480 694 P HA -0.138 nan 4.420 nan 0.000 0.228 694 P C 0.563 177.875 177.300 0.020 0.000 1.151 694 P CA 0.906 64.022 63.100 0.026 0.000 0.770 694 P CB 0.106 31.820 31.700 0.023 0.000 0.786 695 N N -0.391 118.318 118.700 0.015 0.000 2.268 695 N HA 0.000 4.740 4.740 -0.000 0.000 0.204 695 N C 0.270 175.782 175.510 0.004 0.000 1.124 695 N CA -0.293 52.762 53.050 0.008 0.000 0.838 695 N CB -0.105 38.385 38.487 0.004 0.000 0.994 695 N HN -0.031 nan 8.380 nan 0.000 0.489 696 N N 1.044 119.748 118.700 0.007 0.000 2.492 696 N HA -0.008 4.732 4.740 -0.000 0.000 0.260 696 N C -0.591 174.913 175.510 -0.010 0.000 1.215 696 N CA 0.566 53.614 53.050 -0.003 0.000 0.923 696 N CB 0.934 39.416 38.487 -0.007 0.000 1.092 696 N HN 0.269 nan 8.380 nan 0.000 0.448 697 S N 0.014 115.705 115.700 -0.015 0.000 2.661 697 S HA 0.279 4.749 4.470 -0.000 0.000 0.268 697 S C 0.769 175.368 174.600 -0.002 0.000 1.162 697 S CA -0.539 57.652 58.200 -0.015 0.000 0.817 697 S CB 0.444 63.639 63.200 -0.008 0.000 1.141 697 S HN 0.376 nan 8.310 nan 0.000 0.477 698 T N 1.181 115.733 114.554 -0.004 0.000 2.881 698 T HA -0.020 4.329 4.350 -0.000 0.000 0.270 698 T C 1.149 175.919 174.700 0.116 0.000 1.068 698 T CA 2.161 64.269 62.100 0.013 0.000 1.131 698 T CB -0.417 68.444 68.868 -0.011 0.000 0.871 698 T HN 0.651 nan 8.240 nan 0.000 0.479 699 E N 1.017 121.267 120.200 0.083 0.000 2.127 699 E HA 0.100 4.450 4.350 -0.000 0.000 0.191 699 E C 0.508 177.068 176.600 -0.067 0.000 0.964 699 E CA 0.325 56.767 56.400 0.070 0.000 0.832 699 E CB 0.068 29.774 29.700 0.010 0.000 0.790 699 E HN 0.268 nan 8.360 nan 0.000 0.465 700 N N 1.559 120.227 118.700 -0.054 0.000 2.968 700 N HA 0.058 4.797 4.740 -0.000 0.000 0.271 700 N C -0.432 175.024 175.510 -0.090 0.000 1.174 700 N CA -0.022 52.958 53.050 -0.118 0.000 1.096 700 N CB -0.165 38.292 38.487 -0.051 0.000 1.403 700 N HN 0.192 nan 8.380 nan 0.000 0.522 701 F N -1.775 118.088 119.950 -0.146 0.000 2.678 701 F HA 0.406 4.932 4.527 -0.000 0.000 0.305 701 F C -0.184 175.460 175.800 -0.260 0.000 1.090 701 F CA -0.941 56.912 58.000 -0.245 0.000 1.272 701 F CB -0.339 38.450 39.000 -0.351 0.000 1.060 701 F HN -0.079 nan 8.300 nan 0.000 0.576 702 Y N 1.885 122.091 120.300 -0.156 0.000 2.320 702 Y HA 0.478 5.028 4.550 -0.000 0.000 0.324 702 Y C 0.461 176.358 175.900 -0.005 0.000 1.190 702 Y CA -1.548 56.528 58.100 -0.041 0.000 1.215 702 Y CB 0.852 39.235 38.460 -0.128 0.000 1.221 702 Y HN -0.126 nan 8.280 nan 0.000 0.486 703 I N 2.648 123.353 120.570 0.226 0.000 2.291 703 I HA 0.047 4.217 4.170 -0.000 0.000 0.292 703 I C 0.448 176.637 176.117 0.121 0.000 1.064 703 I CA 0.196 61.585 61.300 0.147 0.000 1.269 703 I CB 0.960 39.048 38.000 0.147 0.000 1.418 703 I HN 0.776 nan 8.210 nan 0.000 0.485 704 D N 4.028 124.471 120.400 0.072 0.000 2.146 704 D HA -0.070 4.570 4.640 -0.000 0.000 0.209 704 D C 0.877 177.200 176.300 0.038 0.000 0.973 704 D CA 0.864 54.883 54.000 0.033 0.000 0.860 704 D CB 0.483 41.284 40.800 0.001 0.000 1.015 704 D HN 0.589 nan 8.370 nan 0.000 0.465 705 S N -1.262 114.464 115.700 0.043 0.000 2.740 705 S HA 0.659 5.128 4.470 -0.000 0.000 0.300 705 S C -0.721 173.919 174.600 0.067 0.000 1.147 705 S CA -0.993 57.237 58.200 0.051 0.000 0.871 705 S CB 2.099 65.322 63.200 0.038 0.000 1.173 705 S HN 0.176 nan 8.310 nan 0.000 0.510 706 M N 1.849 121.497 119.600 0.081 0.000 2.325 706 M HA 0.427 4.907 4.480 -0.000 0.000 0.285 706 M C -1.954 174.422 176.300 0.126 0.000 1.119 706 M CA -0.141 55.219 55.300 0.100 0.000 0.959 706 M CB 2.206 34.889 32.600 0.138 0.000 1.737 706 M HN 1.054 nan 8.290 nan 0.000 0.486 707 S N 3.387 119.148 115.700 0.101 0.000 2.756 707 S HA 0.526 4.996 4.470 -0.000 0.000 0.303 707 S C -1.195 173.490 174.600 0.143 0.000 1.135 707 S CA -0.632 57.645 58.200 0.129 0.000 1.066 707 S CB 0.996 64.254 63.200 0.095 0.000 1.008 707 S HN 0.549 nan 8.310 nan 0.000 0.482 708 F N 4.592 124.539 119.950 -0.006 0.000 2.434 708 F HA 0.406 4.933 4.527 -0.000 0.000 0.358 708 F C 0.914 176.699 175.800 -0.025 0.000 1.136 708 F CA -0.773 57.184 58.000 -0.073 0.000 1.157 708 F CB -0.677 38.204 39.000 -0.198 0.000 1.167 708 F HN 0.859 nan 8.300 nan 0.000 0.539 709 N N 3.972 122.894 118.700 0.369 0.000 2.735 709 N HA -0.220 4.520 4.740 -0.000 0.000 0.248 709 N C 1.137 176.707 175.510 0.100 0.000 1.083 709 N CA 1.186 54.347 53.050 0.186 0.000 0.703 709 N CB -1.157 37.395 38.487 0.108 0.000 1.005 709 N HN 1.114 nan 8.380 nan 0.000 0.550 710 G N -2.130 106.730 108.800 0.100 0.000 2.268 710 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.240 710 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.240 710 G C 0.340 175.280 174.900 0.067 0.000 1.010 710 G CA 0.801 45.942 45.100 0.068 0.000 0.618 710 G HN 1.107 nan 8.290 nan 0.000 0.516 711 A N 0.036 122.904 122.820 0.079 0.000 2.296 711 A HA 0.571 4.891 4.320 -0.000 0.000 0.264 711 A C 0.146 177.797 177.584 0.112 0.000 1.097 711 A CA 0.790 52.874 52.037 0.080 0.000 0.811 711 A CB 0.337 19.378 19.000 0.068 0.000 1.072 711 A HN 0.540 nan 8.150 nan 0.000 0.495 712 D N -0.715 119.744 120.400 0.098 0.000 2.210 712 D HA 0.306 4.946 4.640 -0.000 0.000 0.249 712 D C -0.584 175.810 176.300 0.157 0.000 1.078 712 D CA 0.316 54.380 54.000 0.107 0.000 0.875 712 D CB 0.372 41.209 40.800 0.061 0.000 1.175 712 D HN 0.474 nan 8.370 nan 0.000 0.440 713 H N 2.780 121.882 119.070 0.054 0.000 2.866 713 H HA 0.200 4.756 4.556 -0.000 0.000 0.287 713 H C 0.084 175.423 175.328 0.019 0.000 1.106 713 H CA -0.191 55.884 56.048 0.045 0.000 1.396 713 H CB 0.952 30.768 29.762 0.091 0.000 1.469 713 H HN 0.496 nan 8.280 nan 0.000 0.500 714 T N 0.892 115.305 114.554 -0.235 0.000 3.086 714 T HA 0.185 4.535 4.350 -0.000 0.000 0.250 714 T C 0.666 175.202 174.700 -0.272 0.000 1.074 714 T CA -0.323 61.679 62.100 -0.163 0.000 0.988 714 T CB 0.494 69.314 68.868 -0.081 0.000 0.988 714 T HN 0.337 nan 8.240 nan 0.000 0.530 715 K N 1.950 121.975 120.400 -0.625 0.000 2.319 715 K HA 0.238 4.558 4.320 -0.000 0.000 0.265 715 K C 0.513 176.917 176.600 -0.327 0.000 1.000 715 K CA -0.353 55.579 56.287 -0.591 0.000 0.943 715 K CB 0.316 32.234 32.500 -0.970 0.000 0.950 715 K HN -0.004 nan 8.250 nan 0.000 0.485 716 N N 1.178 119.785 118.700 -0.154 0.000 2.314 716 N HA 0.031 4.771 4.740 -0.000 0.000 0.200 716 N C -0.999 174.612 175.510 0.167 0.000 1.135 716 N CA 0.248 53.322 53.050 0.039 0.000 0.835 716 N CB 0.056 38.575 38.487 0.053 0.000 0.989 716 N HN 0.471 nan 8.380 nan 0.000 0.478 717 Y N -2.061 118.318 120.300 0.132 0.000 2.597 717 Y HA 0.688 5.238 4.550 -0.000 0.000 0.340 717 Y C -1.458 174.588 175.900 0.243 0.000 1.097 717 Y CA -1.369 56.826 58.100 0.158 0.000 1.037 717 Y CB 0.954 39.467 38.460 0.090 0.000 1.305 717 Y HN -0.301 nan 8.280 nan 0.000 0.463 718 L N 3.029 124.480 121.223 0.380 0.000 2.381 718 L HA 0.672 5.012 4.340 -0.000 0.000 0.268 718 L C -0.604 176.487 176.870 0.368 0.000 0.997 718 L CA -1.101 53.889 54.840 0.249 0.000 0.818 718 L CB 2.445 44.442 42.059 -0.104 0.000 1.310 718 L HN 0.698 nan 8.230 nan 0.000 0.416 719 R N -0.156 120.542 120.500 0.329 0.000 2.428 719 R HA 0.246 4.586 4.340 -0.000 0.000 0.294 719 R C 0.497 176.916 176.300 0.197 0.000 1.000 719 R CA -0.784 55.475 56.100 0.265 0.000 0.960 719 R CB 1.456 31.887 30.300 0.219 0.000 1.076 719 R HN 0.520 nan 8.270 nan 0.000 0.475 720 H N 2.157 121.275 119.070 0.081 0.000 2.265 720 H HA -0.191 4.365 4.556 -0.000 0.000 0.295 720 H C 0.924 176.044 175.328 -0.346 0.000 1.084 720 H CA 2.431 58.427 56.048 -0.086 0.000 1.261 720 H CB 0.412 30.082 29.762 -0.153 0.000 1.360 720 H HN 0.659 nan 8.280 nan 0.000 0.487 721 E N 0.069 120.148 120.200 -0.202 0.000 2.153 721 E HA -0.129 4.221 4.350 -0.000 0.000 0.194 721 E C 1.943 178.480 176.600 -0.105 0.000 0.988 721 E CA 1.259 57.547 56.400 -0.187 0.000 0.811 721 E CB -0.037 29.637 29.700 -0.043 0.000 0.746 721 E HN 0.593 nan 8.360 nan 0.000 0.466 722 D N 0.332 120.704 120.400 -0.047 0.000 2.097 722 D HA -0.111 4.528 4.640 -0.000 0.000 0.197 722 D C 2.046 178.411 176.300 0.108 0.000 0.984 722 D CA 0.787 54.776 54.000 -0.017 0.000 0.826 722 D CB -0.221 40.572 40.800 -0.012 0.000 0.973 722 D HN 0.182 nan 8.370 nan 0.000 0.460 723 L N 0.113 121.392 121.223 0.093 0.000 2.043 723 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 723 L C 2.510 179.383 176.870 0.005 0.000 1.075 723 L CA 0.848 55.740 54.840 0.086 0.000 0.752 723 L CB -0.516 41.481 42.059 -0.104 0.000 0.891 723 L HN -0.037 nan 8.230 nan 0.000 0.432 724 F N 0.953 120.601 119.950 -0.503 0.000 2.269 724 F HA -0.172 4.355 4.527 -0.000 0.000 0.301 724 F C 2.475 178.126 175.800 -0.248 0.000 1.082 724 F CA 0.961 58.562 58.000 -0.665 0.000 1.360 724 F CB -0.589 38.057 39.000 -0.589 0.000 1.041 724 F HN 0.059 nan 8.300 nan 0.000 0.512 725 K N 0.011 120.451 120.400 0.066 0.000 2.148 725 K HA 0.111 4.431 4.320 -0.000 0.000 0.204 725 K C 1.408 178.069 176.600 0.102 0.000 1.050 725 K CA 1.010 57.330 56.287 0.056 0.000 0.942 725 K CB -0.778 31.729 32.500 0.011 0.000 0.724 725 K HN 0.374 nan 8.250 nan 0.000 0.446 726 G N -0.502 108.410 108.800 0.186 0.000 2.466 726 G HA2 0.186 4.145 3.960 -0.000 0.000 0.316 726 G HA3 0.186 4.145 3.960 -0.000 0.000 0.316 726 G C 0.192 175.212 174.900 0.199 0.000 1.270 726 G CA -0.263 44.962 45.100 0.209 0.000 0.982 726 G HN 0.634 nan 8.290 nan 0.000 0.506 727 G N -2.538 106.347 108.800 0.142 0.000 2.513 727 G HA2 0.472 4.432 3.960 -0.000 0.000 0.227 727 G HA3 0.472 4.432 3.960 -0.000 0.000 0.227 727 G C -0.067 174.898 174.900 0.108 0.000 1.176 727 G CA 0.716 45.894 45.100 0.129 0.000 0.967 727 G HN 2.384 nan 8.290 nan 0.000 0.587 728 T N 0.508 115.138 114.554 0.126 0.000 3.032 728 T HA 0.610 4.960 4.350 -0.000 0.000 0.312 728 T C -0.364 174.355 174.700 0.032 0.000 1.078 728 T CA -0.315 61.820 62.100 0.058 0.000 1.028 728 T CB 1.536 70.435 68.868 0.051 0.000 1.091 728 T HN 0.668 nan 8.240 nan 0.000 0.457 729 I N 3.002 123.519 120.570 -0.088 0.000 2.339 729 I HA 0.414 4.584 4.170 -0.000 0.000 0.290 729 I C 0.117 176.193 176.117 -0.069 0.000 0.994 729 I CA -0.844 60.346 61.300 -0.184 0.000 1.191 729 I CB 1.268 39.038 38.000 -0.383 0.000 1.343 729 I HN 0.177 nan 8.210 nan 0.000 0.458 730 K N 5.679 126.065 120.400 -0.023 0.000 2.159 730 K HA 0.645 4.965 4.320 -0.000 0.000 0.266 730 K C -1.241 175.368 176.600 0.016 0.000 0.975 730 K CA -0.573 55.719 56.287 0.008 0.000 0.865 730 K CB 2.292 34.809 32.500 0.028 0.000 1.087 730 K HN 0.305 nan 8.250 nan 0.000 0.446 731 V N 2.557 122.485 119.914 0.023 0.000 2.482 731 V HA 0.113 4.233 4.120 -0.000 0.000 0.295 731 V C -0.702 175.414 176.094 0.036 0.000 1.026 731 V CA -1.105 61.217 62.300 0.037 0.000 0.856 731 V CB 1.723 33.572 31.823 0.043 0.000 1.001 731 V HN 0.619 nan 8.190 nan 0.000 0.424 732 D N 5.190 125.614 120.400 0.039 0.000 2.339 732 D HA 0.410 5.049 4.640 -0.000 0.000 0.241 732 D C -0.104 176.216 176.300 0.033 0.000 1.183 732 D CA -0.270 53.748 54.000 0.030 0.000 0.859 732 D CB 0.755 41.569 40.800 0.025 0.000 1.067 732 D HN 0.224 nan 8.370 nan 0.000 0.484 733 M N 1.930 121.545 119.600 0.024 0.000 2.216 733 M HA 0.291 4.771 4.480 -0.000 0.000 0.356 733 M C 0.151 176.454 176.300 0.005 0.000 1.205 733 M CA -0.383 54.930 55.300 0.022 0.000 1.122 733 M CB 0.872 33.480 32.600 0.012 0.000 1.571 733 M HN 0.212 nan 8.290 nan 0.000 0.464 734 S N 1.480 117.185 115.700 0.008 0.000 2.570 734 S HA 0.478 4.948 4.470 -0.000 0.000 0.286 734 S C 0.591 175.170 174.600 -0.035 0.000 1.099 734 S CA -0.738 57.452 58.200 -0.017 0.000 0.913 734 S CB 0.964 64.150 63.200 -0.024 0.000 1.085 734 S HN 0.752 nan 8.310 nan 0.000 0.480 735 N N 2.410 121.066 118.700 -0.073 0.000 2.461 735 N HA 0.038 4.777 4.740 -0.000 0.000 0.188 735 N C 0.065 175.530 175.510 -0.074 0.000 1.134 735 N CA -0.076 52.904 53.050 -0.117 0.000 0.878 735 N CB -0.262 38.164 38.487 -0.102 0.000 0.972 735 N HN 0.677 nan 8.380 nan 0.000 0.456 736 R N -0.976 119.439 120.500 -0.141 0.000 2.725 736 R HA 0.582 4.922 4.340 -0.000 0.000 0.277 736 R C -3.213 172.619 176.300 -0.780 0.000 0.987 736 R CA -1.794 54.050 56.100 -0.427 0.000 0.901 736 R CB 1.132 31.256 30.300 -0.294 0.000 1.207 736 R HN -0.119 nan 8.270 nan 0.000 0.463 737 P HA 0.030 nan 4.420 nan 0.000 0.279 737 P C -0.983 175.974 177.300 -0.571 0.000 1.239 737 P CA -0.453 62.008 63.100 -1.066 0.000 0.789 737 P CB 0.667 31.693 31.700 -1.123 0.000 0.933 738 N N 3.134 121.642 118.700 -0.320 0.000 2.521 738 N HA 0.049 4.789 4.740 -0.000 0.000 0.236 738 N C 0.883 176.207 175.510 -0.311 0.000 1.067 738 N CA -0.232 52.674 53.050 -0.240 0.000 0.939 738 N CB -0.257 38.180 38.487 -0.083 0.000 1.201 738 N HN 0.117 nan 8.380 nan 0.000 0.511 739 L N 2.799 123.683 121.223 -0.566 0.000 2.265 739 L HA -0.026 4.313 4.340 -0.000 0.000 0.215 739 L C 1.456 178.173 176.870 -0.255 0.000 1.117 739 L CA 1.075 55.416 54.840 -0.832 0.000 0.782 739 L CB -0.584 41.056 42.059 -0.699 0.000 0.914 739 L HN 0.558 nan 8.230 nan 0.000 0.441 740 N N -0.822 117.812 118.700 -0.110 0.000 2.353 740 N HA 0.003 4.742 4.740 -0.000 0.000 0.185 740 N C 0.732 176.285 175.510 0.072 0.000 1.098 740 N CA 0.125 53.176 53.050 0.002 0.000 0.872 740 N CB 0.480 38.950 38.487 -0.030 0.000 0.970 740 N HN 0.287 nan 8.380 nan 0.000 0.467 741 R N 0.186 120.755 120.500 0.115 0.000 2.346 741 R HA 0.378 4.718 4.340 -0.000 0.000 0.311 741 R C 0.288 176.693 176.300 0.175 0.000 0.983 741 R CA 0.234 56.406 56.100 0.120 0.000 0.880 741 R CB 0.576 30.935 30.300 0.098 0.000 1.100 741 R HN 0.161 nan 8.270 nan 0.000 0.453 742 G N 2.585 111.446 108.800 0.102 0.000 2.149 742 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.235 742 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.235 742 G C 0.491 175.444 174.900 0.088 0.000 1.018 742 G CA 0.601 45.747 45.100 0.076 0.000 0.728 742 G HN 0.739 nan 8.290 nan 0.000 0.508 743 T N -2.862 111.756 114.554 0.108 0.000 3.023 743 T HA 0.375 4.725 4.350 -0.000 0.000 0.249 743 T C 1.220 175.963 174.700 0.073 0.000 1.050 743 T CA 0.832 62.999 62.100 0.112 0.000 1.088 743 T CB 0.649 69.614 68.868 0.161 0.000 0.946 743 T HN 0.328 nan 8.240 nan 0.000 0.480 744 K N 1.958 122.390 120.400 0.054 0.000 2.397 744 K HA 0.132 4.452 4.320 -0.000 0.000 0.265 744 K C 1.402 178.025 176.600 0.039 0.000 0.982 744 K CA -0.026 56.285 56.287 0.040 0.000 0.931 744 K CB 0.372 32.888 32.500 0.026 0.000 0.943 744 K HN 0.040 nan 8.250 nan 0.000 0.501 745 E N 1.966 122.188 120.200 0.038 0.000 2.208 745 E HA -0.164 4.185 4.350 -0.000 0.000 0.193 745 E C 0.861 177.492 176.600 0.052 0.000 0.988 745 E CA 0.860 57.284 56.400 0.040 0.000 0.828 745 E CB 0.340 30.059 29.700 0.032 0.000 0.763 745 E HN 0.648 nan 8.360 nan 0.000 0.478 746 E N 0.094 120.325 120.200 0.052 0.000 2.427 746 E HA -0.131 4.218 4.350 -0.000 0.000 0.196 746 E C 0.689 177.340 176.600 0.084 0.000 1.028 746 E CA 0.504 56.947 56.400 0.073 0.000 0.864 746 E CB -0.096 29.636 29.700 0.054 0.000 0.813 746 E HN 0.117 nan 8.360 nan 0.000 0.514 747 D N 0.495 120.920 120.400 0.041 0.000 2.363 747 D HA 0.038 4.678 4.640 -0.000 0.000 0.220 747 D C 0.441 176.788 176.300 0.078 0.000 0.994 747 D CA 0.436 54.436 54.000 -0.001 0.000 0.890 747 D CB 0.127 40.916 40.800 -0.019 0.000 0.906 747 D HN 0.169 nan 8.370 nan 0.000 0.530 748 M N 1.060 120.734 119.600 0.123 0.000 2.274 748 M HA 0.307 4.787 4.480 -0.000 0.000 0.344 748 M C -2.199 174.176 176.300 0.126 0.000 1.161 748 M CA -2.241 53.099 55.300 0.068 0.000 1.126 748 M CB 0.506 33.125 32.600 0.032 0.000 1.522 748 M HN -0.307 nan 8.290 nan 0.000 0.461 749 P HA 0.149 nan 4.420 nan 0.000 0.276 749 P C -0.818 176.460 177.300 -0.036 0.000 1.261 749 P CA -0.502 62.457 63.100 -0.235 0.000 0.800 749 P CB 0.293 31.742 31.700 -0.419 0.000 1.066 750 Y N 0.826 121.062 120.300 -0.108 0.000 2.903 750 Y HA 0.093 4.643 4.550 -0.000 0.000 0.338 750 Y C -0.335 175.668 175.900 0.172 0.000 1.265 750 Y CA 1.425 59.549 58.100 0.040 0.000 1.532 750 Y CB 0.033 38.515 38.460 0.036 0.000 1.293 750 Y HN 0.220 nan 8.280 nan 0.000 0.609 751 S N 7.264 122.642 115.700 -0.536 0.000 2.575 751 S HA 0.142 4.611 4.470 -0.000 0.000 0.278 751 S C -0.002 174.228 174.600 -0.616 0.000 1.139 751 S CA -0.832 57.104 58.200 -0.440 0.000 0.954 751 S CB 1.015 64.112 63.200 -0.172 0.000 1.054 751 S HN 0.731 nan 8.310 nan 0.000 0.483 752 F N 3.089 122.751 119.950 -0.481 0.000 2.236 752 F HA -0.158 4.369 4.527 -0.000 0.000 0.302 752 F C 2.186 177.935 175.800 -0.085 0.000 1.073 752 F CA 1.597 59.536 58.000 -0.102 0.000 1.336 752 F CB -0.564 38.568 39.000 0.220 0.000 1.040 752 F HN 0.573 nan 8.300 nan 0.000 0.507 753 S N -0.378 115.217 115.700 -0.174 0.000 2.382 753 S HA -0.111 4.359 4.470 -0.000 0.000 0.228 753 S C 1.184 175.662 174.600 -0.203 0.000 1.027 753 S CA 0.632 58.699 58.200 -0.222 0.000 0.991 753 S CB -0.165 62.954 63.200 -0.135 0.000 0.823 753 S HN 0.289 nan 8.310 nan 0.000 0.469 754 K N 0.000 120.290 120.400 -0.183 0.000 2.780 754 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 754 K CA 0.000 56.214 56.287 -0.122 0.000 0.838 754 K CB 0.000 32.435 32.500 -0.108 0.000 1.064 754 K HN 0.000 nan 8.250 nan 0.000 0.543