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_H DATA FIRST_RESID 20 DATA SEQUENCE KDWTQYVNPL MGSQSTFELS TGNTYPAIAR PWGMNFWTPQ TGKMGDGWQY DATA SEQUENCE TYTANKIRGF KQTHQPSPWI NDYGQFSIMP IVGQPVFDEE KRASWFAHKG DATA SEQUENCE EVATPYYYKV YLAEHDIVTE MTPTERAVLF RFTFPENDHS YVVVDAFDKG DATA SEQUENCE SYIKIIPEEN KIIGYTTRNS GGVPENFKNY FIIEFDKPFT YKATVENGNL DATA SEQUENCE QENVAEQTTD HAGAIIGFKT RKGEQVNARI ASSFISFEQA AANMNELGKD DATA SEQUENCE NIEQLAQKGK DAWNQVLGKI EVEGGNLDQY RTFYSCLYRS LLFPRKFYEL DATA SEQUENCE DANGQPIHYS PYNGQVLPGY MFTDTGFWDT FRCLFPLLNL MYPSVNKEMQ DATA SEQUENCE EGLINTYLES GFFPEWASPG HRGCMVGNNS ASILVDAYMK GVKVDDIKTL DATA SEQUENCE YEGLIHGTEN VHPEVSSTGR LGYEYYNKLG YVPYDVKINE NAARTLEYAY DATA SEQUENCE DDWCIYRLAK ELKRPKKEIS LFAKRAMNYK NLFDKESKLM RGRNEDGTFQ DATA SEQUENCE SPFSPLKWGD AFTEGNSWHY TWSVFHDPQG LIDLMGGKEM FVTMMDSVFA DATA SEQUENCE VPPIFDDSYY GQVIHEIREM TVMNMGNYAH GNQPIQHMIY LYDYAGQPWK DATA SEQUENCE AQYWLRQVMD RMYTPGPDGY CGDEDNGQTS AWYVFSALGF YPVCPGTDEY DATA SEQUENCE VMGTPLFKKA TLHFENGNSL VIDAPNNSTE NFYIDSMSFN GADHTKNYLR DATA SEQUENCE HEDLFKGGTI KVDMSNRPNL NRGTKEEDMP YSFSKE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 20 K HA 0.000 nan 4.320 nan 0.000 0.191 20 K C 0.000 176.141 176.600 -0.764 0.000 0.988 20 K CA 0.000 55.931 56.287 -0.593 0.000 0.838 20 K CB 0.000 32.007 32.500 -0.821 0.000 1.064 21 D N -0.163 119.764 120.400 -0.788 0.000 2.375 21 D HA 0.637 5.276 4.640 -0.001 0.000 0.247 21 D C 0.055 175.931 176.300 -0.707 0.000 1.061 21 D CA -0.354 53.311 54.000 -0.559 0.000 0.834 21 D CB 0.842 41.431 40.800 -0.352 0.000 1.247 21 D HN 0.527 nan 8.370 nan 0.000 0.489 22 W N 2.119 123.306 121.300 -0.188 0.000 2.940 22 W HA 0.018 4.677 4.660 -0.001 0.000 0.297 22 W C 1.755 178.172 176.519 -0.170 0.000 1.149 22 W CA 0.421 57.616 57.345 -0.250 0.000 1.564 22 W CB 0.014 29.240 29.460 -0.390 0.000 1.010 22 W HN 0.551 nan 8.180 nan 0.000 0.578 23 T N -0.878 113.721 114.554 0.074 0.000 2.962 23 T HA -0.267 4.082 4.350 -0.001 0.000 0.270 23 T C 1.675 176.356 174.700 -0.032 0.000 1.088 23 T CA 1.500 63.644 62.100 0.073 0.000 1.127 23 T CB -0.376 68.605 68.868 0.189 0.000 0.883 23 T HN 0.350 nan 8.240 nan 0.000 0.493 24 Q N -0.070 119.614 119.800 -0.193 0.000 2.291 24 Q HA -0.135 4.204 4.340 -0.001 0.000 0.206 24 Q C 1.319 177.153 176.000 -0.277 0.000 0.976 24 Q CA 1.222 56.846 55.803 -0.298 0.000 0.875 24 Q CB -0.709 27.731 28.738 -0.496 0.000 0.927 24 Q HN 0.618 nan 8.270 nan 0.000 0.450 25 Y N 0.637 120.961 120.300 0.041 0.000 2.500 25 Y HA 0.209 4.759 4.550 -0.000 0.000 0.270 25 Y C 0.686 176.651 175.900 0.108 0.000 1.134 25 Y CA -0.617 57.563 58.100 0.133 0.000 1.293 25 Y CB 0.538 39.162 38.460 0.273 0.000 1.063 25 Y HN -0.117 nan 8.280 nan 0.000 0.534 26 V N 2.245 122.227 119.914 0.114 0.000 2.508 26 V HA 0.041 4.160 4.120 -0.001 0.000 0.281 26 V C -0.036 175.972 176.094 -0.142 0.000 1.041 26 V CA -0.425 61.832 62.300 -0.071 0.000 1.016 26 V CB 0.639 32.254 31.823 -0.347 0.000 0.984 26 V HN 0.239 nan 8.190 nan 0.000 0.478 27 N N 6.717 125.349 118.700 -0.113 0.000 2.626 27 N HA 0.407 5.146 4.740 -0.001 0.000 0.242 27 N C -1.953 173.479 175.510 -0.131 0.000 1.005 27 N CA -2.204 50.788 53.050 -0.097 0.000 0.905 27 N CB 2.114 40.592 38.487 -0.015 0.000 1.128 27 N HN 0.183 nan 8.380 nan 0.000 0.512 28 P HA -0.021 nan 4.420 nan 0.000 0.222 28 P C 0.882 178.182 177.300 -0.001 0.000 1.147 28 P CA 0.938 63.940 63.100 -0.162 0.000 0.790 28 P CB 0.325 31.894 31.700 -0.217 0.000 0.780 29 L N -2.167 119.080 121.223 0.040 0.000 2.599 29 L HA 0.118 4.457 4.340 -0.001 0.000 0.230 29 L C 1.335 178.267 176.870 0.103 0.000 1.141 29 L CA -0.148 54.772 54.840 0.133 0.000 0.877 29 L CB -0.651 41.552 42.059 0.240 0.000 1.009 29 L HN 0.107 nan 8.230 nan 0.000 0.447 30 M N 0.977 120.618 119.600 0.067 0.000 2.307 30 M HA 0.203 4.682 4.480 -0.001 0.000 0.346 30 M C 0.985 177.396 176.300 0.186 0.000 1.552 30 M CA 1.085 56.417 55.300 0.053 0.000 1.116 30 M CB 0.136 32.736 32.600 -0.001 0.000 1.889 30 M HN 0.254 nan 8.290 nan 0.000 0.460 31 G N 2.205 111.111 108.800 0.176 0.000 2.179 31 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.220 31 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.220 31 G C 0.499 175.532 174.900 0.222 0.000 0.990 31 G CA 0.428 45.697 45.100 0.282 0.000 0.646 31 G HN 0.883 nan 8.290 nan 0.000 0.517 32 S N -0.968 114.867 115.700 0.226 0.000 2.548 32 S HA 0.263 4.732 4.470 -0.001 0.000 0.215 32 S C 1.096 175.889 174.600 0.322 0.000 0.976 32 S CA 1.001 59.403 58.200 0.336 0.000 0.908 32 S CB 0.375 63.882 63.200 0.512 0.000 0.781 32 S HN 0.590 nan 8.310 nan 0.000 0.519 33 Q N 1.824 121.743 119.800 0.199 0.000 2.936 33 Q HA 0.424 4.764 4.340 -0.001 0.000 0.383 33 Q C -1.006 175.078 176.000 0.139 0.000 1.167 33 Q CA -0.285 55.615 55.803 0.162 0.000 1.038 33 Q CB 0.090 28.846 28.738 0.030 0.000 1.409 33 Q HN 0.349 nan 8.270 nan 0.000 0.448 34 S N -0.098 115.716 115.700 0.190 0.000 2.607 34 S HA 0.690 5.159 4.470 -0.001 0.000 0.303 34 S C -0.348 174.362 174.600 0.183 0.000 1.086 34 S CA -0.563 57.749 58.200 0.186 0.000 0.995 34 S CB 1.848 65.187 63.200 0.232 0.000 1.084 34 S HN 0.577 nan 8.310 nan 0.000 0.507 35 T N -1.437 113.193 114.554 0.127 0.000 2.887 35 T HA 0.522 4.871 4.350 -0.001 0.000 0.292 35 T C 0.616 175.353 174.700 0.062 0.000 1.087 35 T CA -0.749 61.360 62.100 0.015 0.000 1.009 35 T CB 0.493 69.354 68.868 -0.011 0.000 1.203 35 T HN 0.340 nan 8.240 nan 0.000 0.518 36 F N 1.066 120.869 119.950 -0.246 0.000 2.120 36 F HA -0.065 4.462 4.527 -0.001 0.000 0.300 36 F C 2.278 178.135 175.800 0.096 0.000 1.095 36 F CA 1.959 59.906 58.000 -0.088 0.000 1.249 36 F CB -0.176 38.665 39.000 -0.266 0.000 0.995 36 F HN 0.788 nan 8.300 nan 0.000 0.480 37 E N -0.535 119.766 120.200 0.168 0.000 2.158 37 E HA -0.025 4.325 4.350 -0.001 0.000 0.191 37 E C -0.280 176.360 176.600 0.066 0.000 0.982 37 E CA 0.563 57.029 56.400 0.109 0.000 0.823 37 E CB 0.182 29.954 29.700 0.120 0.000 0.766 37 E HN 0.200 nan 8.360 nan 0.000 0.468 38 L N 0.138 121.401 121.223 0.067 0.000 2.541 38 L HA 0.245 4.584 4.340 -0.001 0.000 0.266 38 L C -0.971 175.950 176.870 0.085 0.000 0.966 38 L CA -0.328 54.556 54.840 0.074 0.000 0.871 38 L CB 2.089 44.176 42.059 0.047 0.000 1.232 38 L HN -0.240 nan 8.230 nan 0.000 0.408 39 S N 1.614 117.381 115.700 0.111 0.000 2.537 39 S HA 0.528 4.998 4.470 -0.001 0.000 0.275 39 S C 0.749 175.419 174.600 0.117 0.000 1.272 39 S CA 0.292 58.563 58.200 0.118 0.000 1.050 39 S CB 0.728 64.007 63.200 0.131 0.000 0.961 39 S HN 0.770 nan 8.310 nan 0.000 0.496 40 T N 1.032 115.661 114.554 0.126 0.000 3.296 40 T HA 0.567 4.916 4.350 -0.001 0.000 0.285 40 T C 1.014 175.846 174.700 0.220 0.000 1.014 40 T CA 0.245 62.424 62.100 0.131 0.000 0.920 40 T CB 0.082 69.004 68.868 0.090 0.000 1.143 40 T HN 1.149 nan 8.240 nan 0.000 0.522 41 G N 1.605 110.509 108.800 0.173 0.000 3.288 41 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.195 41 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.195 41 G C 0.171 175.100 174.900 0.049 0.000 1.093 41 G CA -0.211 44.956 45.100 0.111 0.000 0.852 41 G HN 0.437 nan 8.290 nan 0.000 0.453 42 N N 1.674 120.435 118.700 0.101 0.000 2.714 42 N HA -0.144 4.595 4.740 -0.001 0.000 0.253 42 N C 0.440 175.961 175.510 0.018 0.000 1.024 42 N CA 1.906 54.977 53.050 0.036 0.000 0.726 42 N CB -1.477 36.983 38.487 -0.045 0.000 0.908 42 N HN 1.367 nan 8.380 nan 0.000 0.542 43 T N -2.380 112.228 114.554 0.091 0.000 2.937 43 T HA 0.785 5.134 4.350 -0.001 0.000 0.283 43 T C 0.009 174.812 174.700 0.173 0.000 1.012 43 T CA -0.721 61.414 62.100 0.058 0.000 0.997 43 T CB 1.998 70.893 68.868 0.045 0.000 1.136 43 T HN 0.254 nan 8.240 nan 0.000 0.551 44 Y N -2.623 117.739 120.300 0.103 0.000 2.609 44 Y HA 0.751 5.300 4.550 -0.001 0.000 0.342 44 Y C -3.198 172.683 175.900 -0.033 0.000 1.058 44 Y CA -3.534 54.602 58.100 0.060 0.000 1.055 44 Y CB 0.279 38.780 38.460 0.068 0.000 1.292 44 Y HN 0.377 nan 8.280 nan 0.000 0.476 45 P HA 0.276 nan 4.420 nan 0.000 0.274 45 P C -0.738 176.538 177.300 -0.041 0.000 1.291 45 P CA 0.012 63.033 63.100 -0.131 0.000 0.815 45 P CB 0.543 32.078 31.700 -0.275 0.000 0.897 46 A N 6.044 128.795 122.820 -0.114 0.000 2.671 46 A HA 0.271 4.591 4.320 -0.001 0.000 0.306 46 A C 0.337 177.833 177.584 -0.147 0.000 1.473 46 A CA -0.409 51.513 52.037 -0.192 0.000 1.155 46 A CB -0.729 17.907 19.000 -0.606 0.000 1.123 46 A HN 0.377 nan 8.150 nan 0.000 0.545 47 I N 2.286 122.826 120.570 -0.051 0.000 2.329 47 I HA 0.467 4.637 4.170 -0.001 0.000 0.295 47 I C 0.614 176.765 176.117 0.056 0.000 1.109 47 I CA 0.258 61.551 61.300 -0.012 0.000 1.297 47 I CB -0.768 37.220 38.000 -0.021 0.000 1.433 47 I HN 0.631 nan 8.210 nan 0.000 0.509 48 A N 7.207 130.075 122.820 0.080 0.000 2.601 48 A HA 0.708 5.028 4.320 -0.001 0.000 0.291 48 A C -0.210 177.605 177.584 0.385 0.000 1.075 48 A CA -0.900 51.223 52.037 0.142 0.000 0.671 48 A CB 1.741 20.564 19.000 -0.294 0.000 1.277 48 A HN 0.449 nan 8.150 nan 0.000 0.417 49 R N 0.013 120.668 120.500 0.258 0.000 2.707 49 R HA 0.391 4.730 4.340 -0.001 0.000 0.270 49 R C -2.571 173.622 176.300 -0.179 0.000 1.083 49 R CA -1.724 54.409 56.100 0.054 0.000 1.182 49 R CB -0.542 29.779 30.300 0.036 0.000 1.084 49 R HN 0.415 nan 8.270 nan 0.000 0.528 50 P HA -0.066 nan 4.420 nan 0.000 0.265 50 P C -0.225 176.907 177.300 -0.280 0.000 1.193 50 P CA 0.205 62.689 63.100 -1.027 0.000 0.765 50 P CB 0.227 31.023 31.700 -1.507 0.000 0.823 51 W N 0.122 121.426 121.300 0.006 0.000 5.078 51 W HA -0.177 4.482 4.660 -0.001 0.000 0.343 51 W C 0.665 177.301 176.519 0.194 0.000 1.232 51 W CA 0.745 58.180 57.345 0.150 0.000 0.864 51 W CB -2.497 27.080 29.460 0.194 0.000 2.304 51 W HN 0.473 nan 8.180 nan 0.000 1.560 52 G N 0.788 109.833 108.800 0.408 0.000 2.484 52 G HA2 0.187 4.146 3.960 -0.001 0.000 0.235 52 G HA3 0.187 4.146 3.960 -0.001 0.000 0.235 52 G C 0.800 175.871 174.900 0.284 0.000 1.282 52 G CA 0.235 45.546 45.100 0.352 0.000 0.857 52 G HN 0.266 nan 8.290 nan 0.000 0.571 53 M N 1.249 120.956 119.600 0.179 0.000 2.229 53 M HA -0.013 4.466 4.480 -0.001 0.000 0.264 53 M C 0.057 176.501 176.300 0.241 0.000 1.063 53 M CA 1.032 56.441 55.300 0.181 0.000 1.114 53 M CB 0.022 32.703 32.600 0.135 0.000 1.387 53 M HN 0.405 nan 8.290 nan 0.000 0.420 54 N N 0.134 118.954 118.700 0.199 0.000 2.399 54 N HA 0.281 5.021 4.740 -0.001 0.000 0.280 54 N C -1.601 174.025 175.510 0.193 0.000 1.008 54 N CA -0.313 52.757 53.050 0.034 0.000 0.894 54 N CB 1.191 39.744 38.487 0.110 0.000 1.273 54 N HN -0.033 nan 8.380 nan 0.000 0.486 55 F N 0.693 120.466 119.950 -0.295 0.000 2.397 55 F HA 0.494 5.020 4.527 -0.001 0.000 0.331 55 F C 0.150 175.719 175.800 -0.385 0.000 1.090 55 F CA -1.204 56.704 58.000 -0.154 0.000 1.065 55 F CB 0.628 39.602 39.000 -0.044 0.000 1.184 55 F HN 0.297 nan 8.300 nan 0.000 0.499 56 W N 0.230 121.590 121.300 0.100 0.000 2.761 56 W HA 0.589 5.248 4.660 -0.001 0.000 0.340 56 W C -0.262 176.234 176.519 -0.037 0.000 1.072 56 W CA -0.571 56.767 57.345 -0.012 0.000 1.215 56 W CB 2.146 31.580 29.460 -0.043 0.000 1.420 56 W HN 0.430 nan 8.180 nan 0.000 0.519 57 T N 3.134 117.776 114.554 0.147 0.000 2.932 57 T HA 0.439 4.788 4.350 -0.001 0.000 0.318 57 T C -2.928 171.735 174.700 -0.061 0.000 1.265 57 T CA -1.950 60.135 62.100 -0.025 0.000 1.036 57 T CB 1.421 70.293 68.868 0.007 0.000 1.209 57 T HN 0.088 nan 8.240 nan 0.000 0.484 58 P HA 0.157 nan 4.420 nan 0.000 0.268 58 P C -1.144 176.114 177.300 -0.071 0.000 1.205 58 P CA -0.085 62.859 63.100 -0.260 0.000 0.771 58 P CB 0.467 32.010 31.700 -0.262 0.000 0.858 59 Q N 1.670 121.349 119.800 -0.201 0.000 2.368 59 Q HA 0.263 4.602 4.340 -0.001 0.000 0.263 59 Q C 0.710 176.623 176.000 -0.145 0.000 1.009 59 Q CA -0.348 55.394 55.803 -0.102 0.000 0.818 59 Q CB 0.953 29.631 28.738 -0.099 0.000 1.239 59 Q HN 0.513 nan 8.270 nan 0.000 0.464 60 T N -0.295 114.203 114.554 -0.095 0.000 3.040 60 T HA 0.240 4.589 4.350 -0.001 0.000 0.252 60 T C 0.870 175.507 174.700 -0.105 0.000 1.064 60 T CA 0.384 62.398 62.100 -0.143 0.000 1.110 60 T CB 0.262 69.005 68.868 -0.209 0.000 0.921 60 T HN 0.493 nan 8.240 nan 0.000 0.480 61 G N 1.282 110.049 108.800 -0.056 0.000 2.539 61 G HA2 0.477 4.437 3.960 -0.001 0.000 0.258 61 G HA3 0.477 4.437 3.960 -0.001 0.000 0.258 61 G C -0.573 174.288 174.900 -0.064 0.000 1.202 61 G CA -0.846 44.232 45.100 -0.036 0.000 0.851 61 G HN 0.423 nan 8.290 nan 0.000 0.556 62 K N 0.345 120.702 120.400 -0.071 0.000 2.219 62 K HA 0.112 4.431 4.320 -0.001 0.000 0.258 62 K C 0.799 177.328 176.600 -0.117 0.000 1.008 62 K CA -0.351 55.874 56.287 -0.104 0.000 0.928 62 K CB 0.886 33.328 32.500 -0.095 0.000 0.983 62 K HN 0.537 nan 8.250 nan 0.000 0.484 63 M N 1.576 121.047 119.600 -0.214 0.000 2.286 63 M HA -0.131 4.349 4.480 -0.001 0.000 0.365 63 M C 0.745 176.946 176.300 -0.165 0.000 1.443 63 M CA 1.980 57.083 55.300 -0.329 0.000 0.951 63 M CB -0.367 31.849 32.600 -0.639 0.000 1.961 63 M HN 0.986 nan 8.290 nan 0.000 0.468 64 G N 3.166 111.931 108.800 -0.060 0.000 2.258 64 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.233 64 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.233 64 G C -0.126 174.787 174.900 0.021 0.000 1.006 64 G CA 0.182 45.282 45.100 -0.001 0.000 0.620 64 G HN 0.784 nan 8.290 nan 0.000 0.511 65 D N 1.454 121.867 120.400 0.021 0.000 2.401 65 D HA 0.446 5.086 4.640 -0.001 0.000 0.254 65 D C 1.728 178.075 176.300 0.078 0.000 1.192 65 D CA 0.847 54.896 54.000 0.082 0.000 0.885 65 D CB 0.724 41.570 40.800 0.077 0.000 1.147 65 D HN 0.265 nan 8.370 nan 0.000 0.478 66 G N 3.869 112.720 108.800 0.084 0.000 2.442 66 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.219 66 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.219 66 G C 0.755 175.487 174.900 -0.280 0.000 1.141 66 G CA -0.087 44.895 45.100 -0.198 0.000 0.763 66 G HN 0.619 nan 8.290 nan 0.000 0.554 67 W N 2.598 123.832 121.300 -0.109 0.000 1.564 67 W HA 0.173 4.833 4.660 -0.001 0.000 0.480 67 W C 1.575 178.077 176.519 -0.028 0.000 0.699 67 W CA -0.181 57.128 57.345 -0.060 0.000 1.985 67 W CB -0.322 29.097 29.460 -0.069 0.000 1.738 67 W HN 0.580 nan 8.180 nan 0.000 0.218 68 Q N 0.632 120.474 119.800 0.070 0.000 2.291 68 Q HA -0.180 4.159 4.340 -0.001 0.000 0.205 68 Q C 0.012 176.087 176.000 0.125 0.000 0.970 68 Q CA 1.208 57.032 55.803 0.036 0.000 0.876 68 Q CB 0.026 28.707 28.738 -0.095 0.000 0.935 68 Q HN 0.418 nan 8.270 nan 0.000 0.455 69 Y N 1.263 121.608 120.300 0.075 0.000 2.330 69 Y HA 0.315 4.864 4.550 -0.001 0.000 0.324 69 Y C -1.382 174.644 175.900 0.209 0.000 1.093 69 Y CA -0.687 57.488 58.100 0.125 0.000 1.103 69 Y CB 1.915 40.455 38.460 0.135 0.000 1.183 69 Y HN 0.084 nan 8.280 nan 0.000 0.433 70 T N 1.961 116.467 114.554 -0.080 0.000 2.841 70 T HA 0.173 4.522 4.350 -0.001 0.000 0.283 70 T C 0.309 174.981 174.700 -0.046 0.000 1.000 70 T CA -0.554 61.594 62.100 0.080 0.000 0.977 70 T CB 1.170 70.100 68.868 0.102 0.000 0.979 70 T HN 0.743 nan 8.240 nan 0.000 0.446 71 Y N 3.269 123.623 120.300 0.090 0.000 2.256 71 Y HA -0.152 4.397 4.550 -0.001 0.000 0.288 71 Y C 2.514 178.502 175.900 0.147 0.000 1.155 71 Y CA 2.317 60.510 58.100 0.155 0.000 1.203 71 Y CB -0.162 38.352 38.460 0.091 0.000 0.980 71 Y HN 0.872 nan 8.280 nan 0.000 0.530 72 T N -1.882 112.756 114.554 0.140 0.000 3.107 72 T HA 0.424 4.774 4.350 -0.001 0.000 0.249 72 T C 0.709 175.362 174.700 -0.078 0.000 1.096 72 T CA 0.115 62.246 62.100 0.051 0.000 1.012 72 T CB -0.469 68.443 68.868 0.074 0.000 0.977 72 T HN 0.334 nan 8.240 nan 0.000 0.527 73 A N 1.867 124.611 122.820 -0.127 0.000 2.407 73 A HA 0.450 4.769 4.320 -0.001 0.000 0.248 73 A C 1.173 178.570 177.584 -0.311 0.000 1.082 73 A CA -0.665 51.255 52.037 -0.196 0.000 0.785 73 A CB 0.268 19.165 19.000 -0.173 0.000 1.020 73 A HN 0.295 nan 8.150 nan 0.000 0.489 74 N N 0.567 119.001 118.700 -0.444 0.000 2.333 74 N HA 0.003 4.743 4.740 -0.001 0.000 0.178 74 N C -0.068 175.074 175.510 -0.614 0.000 1.018 74 N CA 1.089 53.660 53.050 -0.798 0.000 0.882 74 N CB 0.072 37.731 38.487 -1.380 0.000 0.984 74 N HN 0.633 nan 8.380 nan 0.000 0.434 75 K N 0.352 120.566 120.400 -0.311 0.000 2.375 75 K HA 0.520 4.840 4.320 -0.001 0.000 0.249 75 K C -0.710 175.867 176.600 -0.039 0.000 0.942 75 K CA -0.547 55.652 56.287 -0.147 0.000 0.806 75 K CB 2.667 34.989 32.500 -0.297 0.000 1.227 75 K HN -0.157 nan 8.250 nan 0.000 0.430 76 I N 2.594 123.108 120.570 -0.093 0.000 2.441 76 I HA 0.305 4.475 4.170 -0.001 0.000 0.295 76 I C 1.173 177.159 176.117 -0.218 0.000 0.994 76 I CA -0.469 60.665 61.300 -0.276 0.000 1.144 76 I CB 1.511 39.206 38.000 -0.509 0.000 1.314 76 I HN 0.685 nan 8.210 nan 0.000 0.445 77 R N 3.954 124.311 120.500 -0.239 0.000 2.509 77 R HA 0.515 4.854 4.340 -0.001 0.000 0.297 77 R C 0.139 176.326 176.300 -0.187 0.000 0.951 77 R CA -0.154 55.842 56.100 -0.174 0.000 1.103 77 R CB 1.060 31.270 30.300 -0.151 0.000 1.283 77 R HN 0.737 nan 8.270 nan 0.000 0.534 78 G N 0.531 109.147 108.800 -0.308 0.000 2.356 78 G HA2 0.415 4.375 3.960 -0.001 0.000 0.294 78 G HA3 0.415 4.375 3.960 -0.001 0.000 0.294 78 G C -1.974 172.620 174.900 -0.511 0.000 1.423 78 G CA -0.891 44.064 45.100 -0.241 0.000 0.806 78 G HN 0.035 nan 8.290 nan 0.000 0.527 79 F N 1.006 121.011 119.950 0.092 0.000 2.445 79 F HA 0.593 5.120 4.527 -0.001 0.000 0.348 79 F C 0.428 176.384 175.800 0.260 0.000 1.125 79 F CA -0.734 57.387 58.000 0.202 0.000 0.983 79 F CB 2.458 41.696 39.000 0.396 0.000 1.198 79 F HN 0.345 nan 8.300 nan 0.000 0.436 80 K N 3.425 123.954 120.400 0.216 0.000 2.221 80 K HA 0.328 4.647 4.320 -0.001 0.000 0.258 80 K C -0.695 175.546 176.600 -0.597 0.000 0.944 80 K CA -0.658 55.530 56.287 -0.166 0.000 0.823 80 K CB 1.592 33.983 32.500 -0.181 0.000 1.113 80 K HN 0.729 nan 8.250 nan 0.000 0.431 81 Q N 2.528 121.471 119.800 -1.428 0.000 2.296 81 Q HA 0.106 4.446 4.340 -0.001 0.000 0.262 81 Q C -1.149 174.225 176.000 -1.042 0.000 0.981 81 Q CA 0.252 54.938 55.803 -1.861 0.000 0.905 81 Q CB 1.219 28.661 28.738 -2.159 0.000 1.186 81 Q HN 0.640 nan 8.270 nan 0.000 0.399 82 T N 2.343 116.372 114.554 -0.875 0.000 2.903 82 T HA 0.399 4.748 4.350 -0.001 0.000 0.299 82 T C -0.860 173.375 174.700 -0.775 0.000 1.093 82 T CA -0.462 61.259 62.100 -0.632 0.000 1.002 82 T CB 0.986 69.573 68.868 -0.468 0.000 1.127 82 T HN 0.797 nan 8.240 nan 0.000 0.488 83 H N 0.632 119.485 119.070 -0.362 0.000 3.078 83 H HA 0.359 4.914 4.556 -0.001 0.000 0.263 83 H C 0.528 175.801 175.328 -0.092 0.000 1.177 83 H CA -0.372 55.450 56.048 -0.377 0.000 1.128 83 H CB 0.627 29.860 29.762 -0.882 0.000 1.623 83 H HN 0.457 nan 8.280 nan 0.000 0.592 84 Q N 3.646 123.475 119.800 0.049 0.000 2.269 84 Q HA -0.012 4.328 4.340 -0.001 0.000 0.300 84 Q C -1.512 174.708 176.000 0.366 0.000 1.070 84 Q CA -1.075 54.821 55.803 0.154 0.000 0.957 84 Q CB 0.981 29.715 28.738 -0.007 0.000 1.131 84 Q HN 0.233 nan 8.270 nan 0.000 0.377 85 P HA 0.000 nan 4.420 nan 0.000 0.226 85 P C -0.539 176.768 177.300 0.011 0.000 1.161 85 P CA 0.567 63.652 63.100 -0.025 0.000 0.804 85 P CB 0.516 32.262 31.700 0.076 0.000 0.829 86 S N -2.431 113.299 115.700 0.050 0.000 2.578 86 S HA 0.344 4.814 4.470 -0.001 0.000 0.272 86 S C -2.709 171.752 174.600 -0.232 0.000 1.145 86 S CA -1.047 57.135 58.200 -0.030 0.000 0.835 86 S CB 1.334 64.585 63.200 0.084 0.000 1.104 86 S HN -0.264 nan 8.310 nan 0.000 0.458 87 P HA -0.027 nan 4.420 nan 0.000 0.219 87 P C 0.694 177.509 177.300 -0.808 0.000 1.146 87 P CA 1.219 63.702 63.100 -1.028 0.000 0.808 87 P CB -0.231 30.178 31.700 -2.153 0.000 0.779 88 W N -0.492 120.636 121.300 -0.286 0.000 2.443 88 W HA 0.027 4.687 4.660 -0.001 0.000 0.296 88 W C 2.318 178.736 176.519 -0.169 0.000 1.202 88 W CA -0.156 57.093 57.345 -0.160 0.000 1.312 88 W CB -0.858 28.531 29.460 -0.118 0.000 1.120 88 W HN -0.210 nan 8.180 nan 0.000 0.536 89 I N 0.007 120.564 120.570 -0.022 0.000 2.406 89 I HA -0.128 4.041 4.170 -0.001 0.000 0.249 89 I C 1.322 177.391 176.117 -0.079 0.000 1.122 89 I CA 1.140 62.353 61.300 -0.145 0.000 1.431 89 I CB -1.436 36.385 38.000 -0.298 0.000 1.087 89 I HN 0.186 nan 8.210 nan 0.000 0.424 90 N N 0.845 119.500 118.700 -0.075 0.000 5.833 90 N HA -0.212 4.527 4.740 -0.001 0.000 0.357 90 N C -0.349 175.178 175.510 0.028 0.000 0.922 90 N CA 1.071 54.093 53.050 -0.048 0.000 1.099 90 N CB -0.538 37.934 38.487 -0.025 0.000 0.862 90 N HN 0.199 nan 8.380 nan 0.000 0.427 91 D N -0.989 119.446 120.400 0.057 0.000 2.450 91 D HA 0.758 5.398 4.640 -0.001 0.000 0.238 91 D C -0.940 175.487 176.300 0.212 0.000 1.020 91 D CA 0.048 54.100 54.000 0.087 0.000 1.010 91 D CB 1.013 41.810 40.800 -0.004 0.000 1.342 91 D HN 0.459 nan 8.370 nan 0.000 0.530 92 Y N -2.595 117.774 120.300 0.116 0.000 2.641 92 Y HA 0.488 5.038 4.550 -0.001 0.000 0.333 92 Y C 0.073 176.198 175.900 0.374 0.000 1.174 92 Y CA -1.048 57.152 58.100 0.166 0.000 1.057 92 Y CB 0.881 39.325 38.460 -0.026 0.000 1.322 92 Y HN 0.544 nan 8.280 nan 0.000 0.457 93 G N 2.371 111.526 108.800 0.592 0.000 2.370 93 G HA2 -0.029 3.930 3.960 -0.001 0.000 0.295 93 G HA3 -0.029 3.930 3.960 -0.001 0.000 0.295 93 G C -0.890 174.117 174.900 0.179 0.000 1.045 93 G CA 0.317 45.700 45.100 0.473 0.000 1.199 93 G HN 1.077 nan 8.290 nan 0.000 0.513 94 Q N -0.659 119.147 119.800 0.010 0.000 2.285 94 Q HA 0.833 5.172 4.340 -0.001 0.000 0.269 94 Q C -0.468 175.114 176.000 -0.698 0.000 1.030 94 Q CA -1.301 54.251 55.803 -0.419 0.000 0.788 94 Q CB 2.089 30.569 28.738 -0.430 0.000 1.266 94 Q HN 1.117 nan 8.270 nan 0.000 0.438 95 F N -0.922 118.457 119.950 -0.952 0.000 2.686 95 F HA 0.835 5.361 4.527 -0.001 0.000 0.311 95 F C -1.269 174.223 175.800 -0.514 0.000 1.128 95 F CA -0.797 56.696 58.000 -0.845 0.000 0.946 95 F CB 1.420 40.057 39.000 -0.605 0.000 1.336 95 F HN 0.670 nan 8.300 nan 0.000 0.457 96 S N 1.759 117.428 115.700 -0.052 0.000 2.632 96 S HA 0.860 5.329 4.470 -0.001 0.000 0.289 96 S C -1.437 173.264 174.600 0.168 0.000 1.115 96 S CA -0.764 57.460 58.200 0.040 0.000 0.889 96 S CB 2.149 65.465 63.200 0.194 0.000 1.116 96 S HN 1.091 nan 8.310 nan 0.000 0.486 97 I N 0.900 121.559 120.570 0.149 0.000 2.689 97 I HA 0.770 4.940 4.170 -0.001 0.000 0.299 97 I C -1.806 174.380 176.117 0.116 0.000 1.059 97 I CA -1.232 60.123 61.300 0.091 0.000 1.055 97 I CB 2.149 40.102 38.000 -0.079 0.000 1.243 97 I HN 0.870 nan 8.210 nan 0.000 0.425 98 M N 9.955 129.571 119.600 0.026 0.000 2.265 98 M HA 0.486 4.966 4.480 -0.001 0.000 0.262 98 M C -2.913 173.294 176.300 -0.156 0.000 1.026 98 M CA -1.590 53.719 55.300 0.014 0.000 0.987 98 M CB 2.106 34.700 32.600 -0.011 0.000 1.937 98 M HN 0.116 nan 8.290 nan 0.000 0.481 99 P HA 0.549 nan 4.420 nan 0.000 0.284 99 P C -1.072 176.069 177.300 -0.266 0.000 1.253 99 P CA -0.228 62.662 63.100 -0.350 0.000 0.800 99 P CB 0.676 31.962 31.700 -0.689 0.000 0.961 100 I N -0.429 120.039 120.570 -0.170 0.000 3.354 100 I HA 0.788 4.958 4.170 -0.001 0.000 0.316 100 I C -1.464 174.643 176.117 -0.017 0.000 1.182 100 I CA -1.410 59.609 61.300 -0.468 0.000 0.942 100 I CB 2.220 39.949 38.000 -0.451 0.000 1.299 100 I HN 0.095 nan 8.210 nan 0.000 0.473 101 V N 0.600 120.541 119.914 0.044 0.000 3.087 101 V HA 0.811 4.931 4.120 -0.001 0.000 0.306 101 V C 0.488 176.725 176.094 0.239 0.000 1.187 101 V CA 0.702 63.119 62.300 0.196 0.000 0.999 101 V CB 1.478 33.447 31.823 0.243 0.000 1.049 101 V HN 1.401 nan 8.190 nan 0.000 0.431 102 G N 3.469 112.405 108.800 0.227 0.000 4.492 102 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.265 102 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.265 102 G C -0.228 174.776 174.900 0.172 0.000 1.702 102 G CA 0.104 45.318 45.100 0.189 0.000 1.266 102 G HN 0.715 nan 8.290 nan 0.000 0.643 103 Q N 1.993 121.848 119.800 0.092 0.000 2.306 103 Q HA 0.529 4.869 4.340 -0.001 0.000 0.265 103 Q C -2.600 173.202 176.000 -0.330 0.000 1.022 103 Q CA -1.789 53.968 55.803 -0.076 0.000 0.853 103 Q CB 2.319 31.006 28.738 -0.086 0.000 1.327 103 Q HN 0.447 nan 8.270 nan 0.000 0.449 104 P HA 0.079 nan 4.420 nan 0.000 0.277 104 P C -0.595 176.473 177.300 -0.386 0.000 1.354 104 P CA -0.116 62.399 63.100 -0.974 0.000 0.891 104 P CB 0.171 31.175 31.700 -1.160 0.000 1.058 105 V N 1.378 121.142 119.914 -0.249 0.000 2.540 105 V HA 0.412 4.532 4.120 -0.001 0.000 0.302 105 V C 0.420 176.501 176.094 -0.021 0.000 1.035 105 V CA -0.722 61.522 62.300 -0.094 0.000 0.873 105 V CB 1.593 33.378 31.823 -0.062 0.000 0.992 105 V HN 0.256 nan 8.190 nan 0.000 0.428 106 F N 2.547 122.423 119.950 -0.123 0.000 2.530 106 F HA 0.309 4.836 4.527 -0.001 0.000 0.292 106 F C 1.244 176.995 175.800 -0.081 0.000 1.109 106 F CA 0.262 58.198 58.000 -0.107 0.000 1.450 106 F CB 0.126 39.050 39.000 -0.126 0.000 1.114 106 F HN 0.825 nan 8.300 nan 0.000 0.560 107 D N 1.135 121.499 120.400 -0.059 0.000 2.487 107 D HA -0.097 4.542 4.640 -0.001 0.000 0.243 107 D C 1.379 177.559 176.300 -0.200 0.000 1.154 107 D CA 0.532 54.468 54.000 -0.107 0.000 0.876 107 D CB 0.622 41.404 40.800 -0.030 0.000 1.161 107 D HN 0.581 nan 8.370 nan 0.000 0.478 108 E N 2.365 122.423 120.200 -0.236 0.000 2.333 108 E HA -0.240 4.110 4.350 -0.001 0.000 0.198 108 E C 0.804 177.317 176.600 -0.145 0.000 1.007 108 E CA 1.164 57.429 56.400 -0.224 0.000 0.845 108 E CB 0.045 29.613 29.700 -0.221 0.000 0.766 108 E HN 0.664 nan 8.360 nan 0.000 0.507 109 E N 0.769 120.904 120.200 -0.108 0.000 2.162 109 E HA 0.034 4.384 4.350 -0.001 0.000 0.193 109 E C 1.913 178.478 176.600 -0.059 0.000 0.953 109 E CA 0.130 56.480 56.400 -0.083 0.000 0.849 109 E CB 0.136 29.794 29.700 -0.070 0.000 0.810 109 E HN 0.145 nan 8.360 nan 0.000 0.470 110 K N 1.229 121.600 120.400 -0.048 0.000 2.147 110 K HA -0.130 4.190 4.320 -0.001 0.000 0.205 110 K C 2.188 178.791 176.600 0.005 0.000 1.049 110 K CA 1.091 57.365 56.287 -0.022 0.000 0.936 110 K CB -0.092 32.396 32.500 -0.020 0.000 0.722 110 K HN 0.080 nan 8.250 nan 0.000 0.446 111 R N 0.546 121.038 120.500 -0.013 0.000 2.310 111 R HA 0.191 4.531 4.340 -0.001 0.000 0.202 111 R C 0.460 176.833 176.300 0.122 0.000 0.933 111 R CA 0.091 56.220 56.100 0.048 0.000 1.054 111 R CB 0.105 30.374 30.300 -0.052 0.000 0.985 111 R HN -0.092 nan 8.270 nan 0.000 0.489 112 A N 1.232 124.066 122.820 0.024 0.000 2.366 112 A HA 0.364 4.683 4.320 -0.001 0.000 0.249 112 A C -0.333 177.250 177.584 -0.001 0.000 1.084 112 A CA -0.107 51.924 52.037 -0.010 0.000 0.794 112 A CB 0.913 19.864 19.000 -0.082 0.000 1.034 112 A HN 0.342 nan 8.150 nan 0.000 0.491 113 S N -0.067 115.626 115.700 -0.012 0.000 2.571 113 S HA 0.494 4.964 4.470 -0.001 0.000 0.284 113 S C -1.000 173.646 174.600 0.076 0.000 1.128 113 S CA -0.559 57.637 58.200 -0.006 0.000 0.970 113 S CB 0.255 63.457 63.200 0.004 0.000 1.039 113 S HN 0.573 nan 8.310 nan 0.000 0.485 114 W N 4.252 125.542 121.300 -0.017 0.000 2.253 114 W HA 0.337 4.996 4.660 -0.001 0.000 0.348 114 W C 0.222 176.823 176.519 0.137 0.000 1.267 114 W CA 0.732 58.092 57.345 0.024 0.000 1.298 114 W CB 0.292 29.729 29.460 -0.039 0.000 1.181 114 W HN 0.590 nan 8.180 nan 0.000 0.585 115 F N 0.444 120.505 119.950 0.186 0.000 2.773 115 F HA 0.828 5.355 4.527 -0.001 0.000 0.314 115 F C -1.249 174.591 175.800 0.066 0.000 1.160 115 F CA -1.726 56.334 58.000 0.100 0.000 0.920 115 F CB 0.449 39.460 39.000 0.019 0.000 1.323 115 F HN 0.463 nan 8.300 nan 0.000 0.457 116 A N 0.389 123.085 122.820 -0.205 0.000 2.527 116 A HA 0.554 4.874 4.320 -0.001 0.000 0.293 116 A C -0.182 177.273 177.584 -0.215 0.000 1.117 116 A CA -0.736 51.037 52.037 -0.440 0.000 0.723 116 A CB 0.725 19.657 19.000 -0.115 0.000 1.313 116 A HN 0.999 nan 8.150 nan 0.000 0.411 117 H N 0.344 119.356 119.070 -0.097 0.000 2.521 117 H HA -0.017 4.539 4.556 -0.001 0.000 0.286 117 H C 0.966 176.363 175.328 0.114 0.000 1.034 117 H CA 1.525 57.620 56.048 0.078 0.000 1.278 117 H CB 0.284 30.053 29.762 0.013 0.000 1.386 117 H HN 0.629 nan 8.280 nan 0.000 0.567 118 K N 0.272 120.772 120.400 0.166 0.000 2.366 118 K HA 0.013 4.332 4.320 -0.001 0.000 0.198 118 K C 1.745 178.409 176.600 0.106 0.000 1.044 118 K CA 0.565 56.926 56.287 0.122 0.000 0.973 118 K CB 0.387 32.940 32.500 0.088 0.000 0.767 118 K HN 0.135 nan 8.250 nan 0.000 0.475 119 G N 1.053 109.937 108.800 0.139 0.000 3.523 119 G HA2 -0.016 3.944 3.960 -0.001 0.000 0.270 119 G HA3 -0.016 3.944 3.960 -0.001 0.000 0.270 119 G C -0.508 174.493 174.900 0.169 0.000 1.134 119 G CA -0.176 45.023 45.100 0.165 0.000 0.825 119 G HN 0.138 nan 8.290 nan 0.000 0.534 120 E N 0.204 120.480 120.200 0.127 0.000 2.292 120 E HA 0.511 4.861 4.350 -0.001 0.000 0.272 120 E C -1.725 174.841 176.600 -0.056 0.000 0.881 120 E CA -0.567 55.848 56.400 0.025 0.000 0.754 120 E CB 2.720 32.534 29.700 0.190 0.000 1.201 120 E HN -0.109 nan 8.360 nan 0.000 0.425 121 V N 2.462 122.218 119.914 -0.265 0.000 2.443 121 V HA 0.668 4.787 4.120 -0.001 0.000 0.293 121 V C -0.533 175.336 176.094 -0.376 0.000 1.021 121 V CA -0.613 61.563 62.300 -0.206 0.000 0.848 121 V CB 1.226 32.997 31.823 -0.088 0.000 0.998 121 V HN 0.735 nan 8.190 nan 0.000 0.424 122 A N 3.798 126.519 122.820 -0.164 0.000 2.304 122 A HA 0.925 5.244 4.320 -0.001 0.000 0.314 122 A C 0.052 177.543 177.584 -0.156 0.000 1.187 122 A CA -0.262 51.735 52.037 -0.067 0.000 0.810 122 A CB 1.327 20.402 19.000 0.124 0.000 1.183 122 A HN 0.961 nan 8.150 nan 0.000 0.487 123 T N -0.261 114.134 114.554 -0.267 0.000 2.865 123 T HA 0.668 5.017 4.350 -0.001 0.000 0.294 123 T C -2.567 171.836 174.700 -0.495 0.000 1.119 123 T CA -1.701 60.126 62.100 -0.455 0.000 1.007 123 T CB 1.663 70.105 68.868 -0.711 0.000 1.225 123 T HN 0.090 nan 8.240 nan 0.000 0.515 124 P HA -0.030 nan 4.420 nan 0.000 0.218 124 P C 0.799 178.035 177.300 -0.107 0.000 1.148 124 P CA 1.133 63.936 63.100 -0.496 0.000 0.822 124 P CB -0.270 30.769 31.700 -1.102 0.000 0.784 125 Y N -4.584 115.717 120.300 0.001 0.000 2.467 125 Y HA 0.461 5.010 4.550 -0.001 0.000 0.250 125 Y C 0.166 176.164 175.900 0.163 0.000 1.155 125 Y CA -1.026 57.163 58.100 0.149 0.000 1.249 125 Y CB -0.145 38.427 38.460 0.186 0.000 1.146 125 Y HN -0.154 nan 8.280 nan 0.000 0.524 126 Y N 0.493 120.557 120.300 -0.393 0.000 2.409 126 Y HA 0.460 5.009 4.550 -0.001 0.000 0.321 126 Y C -2.474 173.294 175.900 -0.221 0.000 1.209 126 Y CA -2.293 55.641 58.100 -0.277 0.000 1.086 126 Y CB 0.980 39.271 38.460 -0.280 0.000 1.320 126 Y HN 0.068 nan 8.280 nan 0.000 0.440 127 Y N 6.393 126.119 120.300 -0.957 0.000 2.433 127 Y HA 0.609 5.159 4.550 -0.001 0.000 0.337 127 Y C -1.637 173.759 175.900 -0.840 0.000 1.026 127 Y CA -0.807 56.862 58.100 -0.720 0.000 1.037 127 Y CB 1.475 39.722 38.460 -0.356 0.000 1.245 127 Y HN 0.701 nan 8.280 nan 0.000 0.443 128 K N 5.644 125.360 120.400 -1.140 0.000 2.464 128 K HA 0.810 5.130 4.320 -0.001 0.000 0.253 128 K C -2.460 173.782 176.600 -0.597 0.000 0.933 128 K CA -0.836 55.045 56.287 -0.678 0.000 0.801 128 K CB 2.370 34.631 32.500 -0.399 0.000 1.271 128 K HN 0.565 nan 8.250 nan 0.000 0.430 129 V N 4.099 123.898 119.914 -0.192 0.000 3.012 129 V HA 0.414 4.534 4.120 -0.001 0.000 0.307 129 V C -2.005 174.198 176.094 0.181 0.000 1.166 129 V CA -0.747 61.563 62.300 0.016 0.000 0.974 129 V CB 1.872 33.775 31.823 0.133 0.000 1.040 129 V HN 0.812 nan 8.190 nan 0.000 0.428 130 Y N 5.938 126.302 120.300 0.107 0.000 2.341 130 Y HA 0.612 5.161 4.550 -0.001 0.000 0.340 130 Y C -0.315 175.701 175.900 0.194 0.000 0.997 130 Y CA -0.696 57.482 58.100 0.130 0.000 1.149 130 Y CB 1.140 39.662 38.460 0.103 0.000 1.171 130 Y HN 0.572 nan 8.280 nan 0.000 0.494 131 L N 7.911 128.948 121.223 -0.311 0.000 2.282 131 L HA 0.331 4.671 4.340 -0.001 0.000 0.287 131 L C 1.281 177.838 176.870 -0.521 0.000 1.075 131 L CA -0.145 54.571 54.840 -0.207 0.000 0.839 131 L CB 0.698 42.779 42.059 0.038 0.000 1.219 131 L HN 0.929 nan 8.230 nan 0.000 0.434 132 A N 2.676 125.303 122.820 -0.322 0.000 1.940 132 A HA -0.161 4.158 4.320 -0.001 0.000 0.219 132 A C 1.990 179.492 177.584 -0.135 0.000 1.176 132 A CA 1.451 53.356 52.037 -0.220 0.000 0.631 132 A CB -0.163 18.885 19.000 0.080 0.000 0.814 132 A HN 0.804 nan 8.150 nan 0.000 0.446 133 E N -1.585 118.530 120.200 -0.143 0.000 2.435 133 E HA -0.064 4.285 4.350 -0.001 0.000 0.195 133 E C 1.117 177.536 176.600 -0.301 0.000 1.029 133 E CA 0.521 56.794 56.400 -0.212 0.000 0.865 133 E CB 0.012 29.569 29.700 -0.238 0.000 0.833 133 E HN 0.730 nan 8.360 nan 0.000 0.510 134 H N -0.641 118.416 119.070 -0.021 0.000 2.885 134 H HA 0.043 4.598 4.556 -0.001 0.000 0.260 134 H C 0.116 175.450 175.328 0.011 0.000 0.985 134 H CA 0.476 56.532 56.048 0.014 0.000 1.210 134 H CB 0.622 30.399 29.762 0.025 0.000 1.466 134 H HN 0.059 nan 8.280 nan 0.000 0.493 135 D N 0.772 121.171 120.400 -0.002 0.000 2.699 135 D HA -0.173 4.466 4.640 -0.001 0.000 0.239 135 D C -0.779 175.591 176.300 0.116 0.000 1.136 135 D CA 0.272 54.307 54.000 0.058 0.000 0.668 135 D CB -1.655 39.267 40.800 0.203 0.000 1.060 135 D HN 0.374 nan 8.370 nan 0.000 0.429 136 I N 0.027 120.579 120.570 -0.029 0.000 2.465 136 I HA 0.369 4.538 4.170 -0.001 0.000 0.291 136 I C 0.246 176.387 176.117 0.040 0.000 1.014 136 I CA -1.221 60.074 61.300 -0.009 0.000 1.093 136 I CB 2.102 40.032 38.000 -0.117 0.000 1.267 136 I HN -0.200 nan 8.210 nan 0.000 0.431 137 V N 4.847 124.835 119.914 0.123 0.000 2.439 137 V HA 0.366 4.485 4.120 -0.001 0.000 0.282 137 V C 0.109 176.245 176.094 0.069 0.000 1.039 137 V CA -0.200 62.191 62.300 0.153 0.000 0.913 137 V CB 1.572 33.492 31.823 0.162 0.000 0.983 137 V HN 0.725 nan 8.190 nan 0.000 0.460 138 T N 5.415 120.002 114.554 0.054 0.000 2.797 138 T HA 0.540 4.890 4.350 -0.001 0.000 0.279 138 T C -0.540 174.062 174.700 -0.164 0.000 0.991 138 T CA -0.598 61.475 62.100 -0.045 0.000 0.979 138 T CB 1.065 69.796 68.868 -0.229 0.000 0.943 138 T HN 0.756 nan 8.240 nan 0.000 0.444 139 E N 3.125 123.182 120.200 -0.239 0.000 2.266 139 E HA 0.668 5.017 4.350 -0.001 0.000 0.268 139 E C -0.579 175.737 176.600 -0.474 0.000 0.879 139 E CA -0.934 55.278 56.400 -0.314 0.000 0.762 139 E CB 2.386 32.010 29.700 -0.127 0.000 1.199 139 E HN 0.634 nan 8.360 nan 0.000 0.422 140 M N -0.346 118.917 119.600 -0.561 0.000 2.446 140 M HA 0.611 5.090 4.480 -0.001 0.000 0.294 140 M C -1.170 174.860 176.300 -0.450 0.000 1.158 140 M CA -0.785 54.042 55.300 -0.789 0.000 0.899 140 M CB 2.308 34.100 32.600 -1.347 0.000 1.687 140 M HN 0.403 nan 8.290 nan 0.000 0.455 141 T N 0.371 114.699 114.554 -0.377 0.000 2.949 141 T HA 0.764 5.113 4.350 -0.001 0.000 0.300 141 T C -3.180 171.417 174.700 -0.172 0.000 0.988 141 T CA -1.310 60.711 62.100 -0.132 0.000 0.993 141 T CB 1.786 70.675 68.868 0.036 0.000 0.984 141 T HN 0.615 nan 8.240 nan 0.000 0.442 142 P HA 0.465 nan 4.420 nan 0.000 0.292 142 P C 0.074 177.422 177.300 0.080 0.000 1.300 142 P CA -0.364 62.721 63.100 -0.027 0.000 0.900 142 P CB 1.818 33.575 31.700 0.094 0.000 1.139 143 T N -2.327 112.283 114.554 0.093 0.000 2.902 143 T HA 0.266 4.616 4.350 -0.001 0.000 0.287 143 T C 1.279 176.074 174.700 0.159 0.000 1.048 143 T CA -0.372 61.796 62.100 0.114 0.000 0.941 143 T CB 0.092 69.014 68.868 0.091 0.000 1.432 143 T HN 0.342 nan 8.240 nan 0.000 0.586 144 E N 0.236 120.519 120.200 0.138 0.000 2.118 144 E HA -0.135 4.214 4.350 -0.001 0.000 0.195 144 E C 2.068 178.775 176.600 0.178 0.000 0.992 144 E CA 1.140 57.630 56.400 0.150 0.000 0.804 144 E CB -0.021 29.742 29.700 0.106 0.000 0.741 144 E HN 0.482 nan 8.360 nan 0.000 0.458 145 R N -1.393 119.210 120.500 0.173 0.000 2.568 145 R HA 0.290 4.630 4.340 -0.001 0.000 0.254 145 R C 0.062 176.510 176.300 0.246 0.000 0.925 145 R CA 0.101 56.315 56.100 0.191 0.000 1.025 145 R CB 1.310 31.690 30.300 0.133 0.000 1.428 145 R HN -0.062 nan 8.270 nan 0.000 0.573 146 A N 0.708 123.657 122.820 0.215 0.000 2.313 146 A HA 0.778 5.098 4.320 -0.001 0.000 0.323 146 A C -1.146 176.515 177.584 0.128 0.000 1.133 146 A CA -0.551 51.605 52.037 0.198 0.000 0.847 146 A CB 1.952 21.027 19.000 0.125 0.000 1.308 146 A HN -0.049 nan 8.150 nan 0.000 0.475 147 V N 0.334 120.243 119.914 -0.007 0.000 3.087 147 V HA 0.666 4.785 4.120 -0.001 0.000 0.306 147 V C -1.783 174.161 176.094 -0.249 0.000 1.187 147 V CA -0.600 61.525 62.300 -0.292 0.000 0.999 147 V CB 1.991 33.260 31.823 -0.923 0.000 1.049 147 V HN 1.107 nan 8.190 nan 0.000 0.431 148 L N 4.917 125.952 121.223 -0.313 0.000 2.329 148 L HA 0.757 5.097 4.340 -0.001 0.000 0.279 148 L C -1.398 175.198 176.870 -0.457 0.000 1.014 148 L CA 0.174 54.866 54.840 -0.246 0.000 0.814 148 L CB 1.569 43.534 42.059 -0.157 0.000 1.257 148 L HN 0.578 nan 8.230 nan 0.000 0.424 149 F N 3.596 123.294 119.950 -0.419 0.000 2.492 149 F HA 0.650 5.176 4.527 -0.001 0.000 0.327 149 F C 0.033 175.441 175.800 -0.653 0.000 1.079 149 F CA -0.487 57.137 58.000 -0.627 0.000 0.967 149 F CB 1.725 40.212 39.000 -0.854 0.000 1.169 149 F HN 0.382 nan 8.300 nan 0.000 0.472 150 R N 3.076 123.274 120.500 -0.503 0.000 2.451 150 R HA 0.481 4.820 4.340 -0.001 0.000 0.307 150 R C -2.021 174.024 176.300 -0.426 0.000 0.965 150 R CA -0.459 55.411 56.100 -0.383 0.000 0.865 150 R CB 0.680 30.885 30.300 -0.159 0.000 1.174 150 R HN 0.567 nan 8.270 nan 0.000 0.455 151 F N 2.767 122.734 119.950 0.028 0.000 2.361 151 F HA 0.288 4.815 4.527 -0.001 0.000 0.364 151 F C 0.381 176.084 175.800 -0.161 0.000 1.120 151 F CA -0.786 57.123 58.000 -0.150 0.000 1.102 151 F CB 2.067 40.928 39.000 -0.232 0.000 1.183 151 F HN 0.268 nan 8.300 nan 0.000 0.476 152 T N 4.561 119.115 114.554 -0.001 0.000 2.727 152 T HA 0.332 4.681 4.350 -0.001 0.000 0.298 152 T C -0.399 174.295 174.700 -0.011 0.000 0.942 152 T CA -0.181 61.949 62.100 0.049 0.000 0.997 152 T CB -0.045 68.868 68.868 0.076 0.000 0.917 152 T HN 0.158 nan 8.240 nan 0.000 0.487 153 F N 5.247 125.296 119.950 0.165 0.000 2.399 153 F HA 0.479 5.006 4.527 -0.001 0.000 0.328 153 F C -1.663 174.207 175.800 0.116 0.000 1.084 153 F CA -2.256 55.831 58.000 0.146 0.000 1.053 153 F CB 1.236 40.321 39.000 0.141 0.000 1.209 153 F HN 0.333 nan 8.300 nan 0.000 0.502 154 P HA 0.080 nan 4.420 nan 0.000 0.279 154 P C -1.157 176.244 177.300 0.168 0.000 1.276 154 P CA -0.607 62.624 63.100 0.218 0.000 0.801 154 P CB 0.676 32.497 31.700 0.202 0.000 1.127 155 E N 1.403 121.667 120.200 0.107 0.000 2.328 155 E HA 0.050 4.399 4.350 -0.001 0.000 0.265 155 E C -0.569 176.056 176.600 0.041 0.000 1.057 155 E CA 0.111 56.547 56.400 0.059 0.000 0.916 155 E CB -0.285 29.440 29.700 0.042 0.000 0.993 155 E HN 0.273 nan 8.360 nan 0.000 0.446 156 N N 3.740 122.438 118.700 -0.003 0.000 2.555 156 N HA 0.035 4.775 4.740 -0.001 0.000 0.265 156 N C -0.739 174.674 175.510 -0.162 0.000 1.135 156 N CA -0.497 52.524 53.050 -0.048 0.000 0.925 156 N CB 1.721 40.206 38.487 -0.002 0.000 1.662 156 N HN 0.395 nan 8.380 nan 0.000 0.489 157 D N -0.090 120.143 120.400 -0.278 0.000 2.224 157 D HA -0.036 4.604 4.640 -0.001 0.000 0.205 157 D C -0.188 175.674 176.300 -0.732 0.000 0.965 157 D CA 1.426 55.109 54.000 -0.530 0.000 0.852 157 D CB 0.139 40.501 40.800 -0.730 0.000 0.947 157 D HN 0.421 nan 8.370 nan 0.000 0.494 158 H N -0.006 118.922 119.070 -0.236 0.000 2.423 158 H HA 0.404 4.960 4.556 -0.001 0.000 0.237 158 H C -0.401 174.524 175.328 -0.673 0.000 1.391 158 H CA -0.278 55.469 56.048 -0.503 0.000 1.453 158 H CB 0.299 29.916 29.762 -0.241 0.000 1.484 158 H HN -0.203 nan 8.280 nan 0.000 0.505 159 S N 2.001 117.279 115.700 -0.704 0.000 2.541 159 S HA 0.571 5.040 4.470 -0.001 0.000 0.283 159 S C -0.545 173.387 174.600 -1.113 0.000 1.196 159 S CA -0.458 57.318 58.200 -0.707 0.000 1.062 159 S CB 1.010 63.723 63.200 -0.812 0.000 1.009 159 S HN 0.381 nan 8.310 nan 0.000 0.502 160 Y N -0.129 119.931 120.300 -0.400 0.000 2.581 160 Y HA 0.608 5.157 4.550 -0.001 0.000 0.345 160 Y C -0.446 175.294 175.900 -0.266 0.000 1.036 160 Y CA -1.125 56.703 58.100 -0.453 0.000 1.042 160 Y CB 1.442 39.698 38.460 -0.339 0.000 1.289 160 Y HN 0.307 nan 8.280 nan 0.000 0.471 161 V N 2.621 122.459 119.914 -0.128 0.000 2.604 161 V HA 0.521 4.641 4.120 -0.001 0.000 0.305 161 V C -0.817 175.267 176.094 -0.016 0.000 1.043 161 V CA -0.908 61.357 62.300 -0.058 0.000 0.888 161 V CB 1.856 33.714 31.823 0.059 0.000 0.995 161 V HN 0.530 nan 8.190 nan 0.000 0.429 162 V N 5.158 125.071 119.914 -0.001 0.000 2.435 162 V HA 0.496 4.615 4.120 -0.001 0.000 0.290 162 V C -0.231 175.942 176.094 0.131 0.000 1.030 162 V CA -0.522 61.816 62.300 0.063 0.000 0.881 162 V CB 1.896 33.722 31.823 0.004 0.000 0.983 162 V HN 0.612 nan 8.190 nan 0.000 0.445 163 V N 3.725 123.771 119.914 0.219 0.000 2.417 163 V HA 0.475 4.595 4.120 -0.001 0.000 0.291 163 V C -0.535 175.794 176.094 0.392 0.000 1.024 163 V CA -0.484 61.977 62.300 0.269 0.000 0.861 163 V CB 1.827 33.812 31.823 0.269 0.000 0.985 163 V HN 0.873 nan 8.190 nan 0.000 0.436 164 D N 3.616 124.249 120.400 0.388 0.000 2.471 164 D HA 0.549 5.188 4.640 -0.001 0.000 0.245 164 D C 0.458 177.120 176.300 0.602 0.000 1.116 164 D CA -0.349 53.978 54.000 0.546 0.000 0.853 164 D CB 2.221 43.239 40.800 0.362 0.000 1.123 164 D HN 0.563 nan 8.370 nan 0.000 0.540 165 A N 3.769 126.961 122.820 0.620 0.000 2.275 165 A HA 0.301 4.620 4.320 -0.001 0.000 0.212 165 A C 0.272 178.248 177.584 0.654 0.000 1.201 165 A CA -0.001 52.364 52.037 0.547 0.000 0.843 165 A CB -0.399 18.884 19.000 0.471 0.000 0.873 165 A HN 0.539 nan 8.150 nan 0.000 0.492 166 F N -0.625 119.549 119.950 0.374 0.000 2.183 166 F HA -0.167 4.359 4.527 -0.001 0.000 0.318 166 F C 0.528 176.222 175.800 -0.176 0.000 1.222 166 F CA 0.266 58.277 58.000 0.018 0.000 0.912 166 F CB -0.983 38.059 39.000 0.069 0.000 4.135 166 F HN 0.571 nan 8.300 nan 0.000 0.137 167 D N 1.033 121.240 120.400 -0.321 0.000 2.430 167 D HA 0.344 4.983 4.640 -0.001 0.000 0.285 167 D C 0.447 176.795 176.300 0.080 0.000 1.210 167 D CA 0.320 54.222 54.000 -0.164 0.000 1.080 167 D CB 0.255 40.907 40.800 -0.247 0.000 1.134 167 D HN 0.459 nan 8.370 nan 0.000 0.562 168 K N -1.702 118.748 120.400 0.083 0.000 3.274 168 K HA -0.055 4.265 4.320 -0.001 0.000 0.300 168 K C 0.410 177.104 176.600 0.155 0.000 1.230 168 K CA 1.193 57.549 56.287 0.116 0.000 0.884 168 K CB -2.267 30.305 32.500 0.120 0.000 1.242 168 K HN 1.336 nan 8.250 nan 0.000 0.467 169 G N 0.009 108.918 108.800 0.183 0.000 2.992 169 G HA2 0.131 4.090 3.960 -0.001 0.000 0.677 169 G HA3 0.131 4.090 3.960 -0.001 0.000 0.677 169 G C -0.356 174.734 174.900 0.318 0.000 1.191 169 G CA 0.024 45.258 45.100 0.223 0.000 1.178 169 G HN 0.912 nan 8.290 nan 0.000 0.506 170 S N 0.935 116.815 115.700 0.300 0.000 2.638 170 S HA 0.887 5.357 4.470 -0.001 0.000 0.274 170 S C -1.071 173.559 174.600 0.051 0.000 1.157 170 S CA -1.047 57.317 58.200 0.274 0.000 0.826 170 S CB 2.842 66.220 63.200 0.296 0.000 1.139 170 S HN 1.995 nan 8.310 nan 0.000 0.474 171 Y N 0.183 120.210 120.300 -0.455 0.000 2.504 171 Y HA 0.827 5.376 4.550 -0.001 0.000 0.344 171 Y C -1.850 173.827 175.900 -0.372 0.000 1.023 171 Y CA -1.211 56.532 58.100 -0.594 0.000 1.020 171 Y CB 1.492 39.136 38.460 -1.361 0.000 1.282 171 Y HN 0.987 nan 8.280 nan 0.000 0.454 172 I N 5.464 125.461 120.570 -0.955 0.000 2.692 172 I HA 0.464 4.633 4.170 -0.001 0.000 0.293 172 I C -1.861 173.768 176.117 -0.812 0.000 1.200 172 I CA -0.443 60.403 61.300 -0.756 0.000 1.036 172 I CB 1.767 39.604 38.000 -0.273 0.000 1.258 172 I HN 0.672 nan 8.210 nan 0.000 0.421 173 K N 8.092 128.108 120.400 -0.640 0.000 2.507 173 K HA 0.587 4.906 4.320 -0.001 0.000 0.252 173 K C -1.508 174.985 176.600 -0.178 0.000 0.943 173 K CA -0.579 55.484 56.287 -0.372 0.000 0.808 173 K CB 1.326 33.628 32.500 -0.330 0.000 1.142 173 K HN 0.581 nan 8.250 nan 0.000 0.426 174 I N 5.528 126.033 120.570 -0.109 0.000 2.395 174 I HA 0.251 4.421 4.170 -0.001 0.000 0.289 174 I C 0.121 176.268 176.117 0.050 0.000 1.023 174 I CA -0.505 60.788 61.300 -0.012 0.000 1.350 174 I CB 0.871 38.842 38.000 -0.049 0.000 1.409 174 I HN 0.466 nan 8.210 nan 0.000 0.507 175 I N 7.993 128.652 120.570 0.149 0.000 2.668 175 I HA 0.217 4.386 4.170 -0.001 0.000 0.276 175 I C -1.848 174.376 176.117 0.179 0.000 1.139 175 I CA -1.448 59.924 61.300 0.119 0.000 1.133 175 I CB 1.168 39.206 38.000 0.063 0.000 1.327 175 I HN 0.351 nan 8.210 nan 0.000 0.520 176 P HA -0.133 nan 4.420 nan 0.000 0.218 176 P C 0.949 178.212 177.300 -0.061 0.000 1.149 176 P CA 1.304 64.460 63.100 0.094 0.000 0.817 176 P CB 0.273 32.042 31.700 0.116 0.000 0.785 177 E N -0.171 120.019 120.200 -0.015 0.000 2.338 177 E HA -0.126 4.224 4.350 -0.001 0.000 0.197 177 E C 1.211 177.790 176.600 -0.036 0.000 1.007 177 E CA 0.901 57.282 56.400 -0.031 0.000 0.849 177 E CB -0.587 29.106 29.700 -0.012 0.000 0.774 177 E HN 0.465 nan 8.360 nan 0.000 0.506 178 E N 0.027 120.215 120.200 -0.020 0.000 2.583 178 E HA 0.140 4.489 4.350 -0.001 0.000 0.213 178 E C -0.482 176.119 176.600 0.001 0.000 0.989 178 E CA -0.257 56.143 56.400 0.000 0.000 0.991 178 E CB 0.346 30.067 29.700 0.034 0.000 1.040 178 E HN 0.073 nan 8.360 nan 0.000 0.481 179 N N 1.977 120.601 118.700 -0.127 0.000 2.740 179 N HA -0.209 4.530 4.740 -0.001 0.000 0.248 179 N C -0.552 175.146 175.510 0.314 0.000 1.062 179 N CA 1.230 54.118 53.050 -0.270 0.000 0.704 179 N CB -1.065 37.331 38.487 -0.151 0.000 0.968 179 N HN 0.292 nan 8.380 nan 0.000 0.547 180 K N 0.442 121.104 120.400 0.436 0.000 2.422 180 K HA 0.662 4.981 4.320 -0.001 0.000 0.251 180 K C -0.905 175.965 176.600 0.450 0.000 0.933 180 K CA -0.670 55.871 56.287 0.423 0.000 0.798 180 K CB 1.546 34.170 32.500 0.207 0.000 1.238 180 K HN 0.078 nan 8.250 nan 0.000 0.428 181 I N 5.935 126.737 120.570 0.387 0.000 2.545 181 I HA 0.437 4.606 4.170 -0.001 0.000 0.292 181 I C -0.226 175.992 176.117 0.168 0.000 1.040 181 I CA -1.139 60.313 61.300 0.254 0.000 1.068 181 I CB 1.769 39.955 38.000 0.309 0.000 1.251 181 I HN 0.667 nan 8.210 nan 0.000 0.424 182 I N 1.767 122.337 120.570 -0.001 0.000 2.892 182 I HA 1.061 5.231 4.170 -0.001 0.000 0.306 182 I C -0.275 175.596 176.117 -0.409 0.000 1.078 182 I CA -0.441 60.784 61.300 -0.125 0.000 1.032 182 I CB 2.513 40.412 38.000 -0.167 0.000 1.229 182 I HN 0.662 nan 8.210 nan 0.000 0.435 183 G N 2.211 110.558 108.800 -0.754 0.000 2.430 183 G HA2 0.518 4.477 3.960 -0.001 0.000 0.300 183 G HA3 0.518 4.477 3.960 -0.001 0.000 0.300 183 G C -2.178 172.226 174.900 -0.827 0.000 1.330 183 G CA -0.534 44.056 45.100 -0.850 0.000 0.813 183 G HN 1.025 nan 8.290 nan 0.000 0.487 184 Y N -1.502 118.648 120.300 -0.248 0.000 2.576 184 Y HA 0.876 5.425 4.550 -0.001 0.000 0.346 184 Y C -0.259 175.661 175.900 0.032 0.000 1.018 184 Y CA -1.482 56.466 58.100 -0.252 0.000 1.050 184 Y CB 1.802 40.043 38.460 -0.366 0.000 1.280 184 Y HN 0.763 nan 8.280 nan 0.000 0.474 185 T N 0.096 114.841 114.554 0.318 0.000 2.863 185 T HA 0.516 4.865 4.350 -0.001 0.000 0.285 185 T C 0.288 175.090 174.700 0.171 0.000 1.009 185 T CA 0.181 62.474 62.100 0.322 0.000 0.989 185 T CB 1.265 70.317 68.868 0.307 0.000 1.004 185 T HN 1.107 nan 8.240 nan 0.000 0.455 186 T N 1.214 115.926 114.554 0.263 0.000 2.964 186 T HA 0.284 4.634 4.350 -0.001 0.000 0.250 186 T C 0.952 175.930 174.700 0.464 0.000 0.982 186 T CA -0.378 61.901 62.100 0.299 0.000 0.959 186 T CB -0.245 68.747 68.868 0.208 0.000 1.141 186 T HN 0.696 nan 8.240 nan 0.000 0.494 187 R N 3.067 123.775 120.500 0.347 0.000 2.481 187 R HA 0.064 4.403 4.340 -0.001 0.000 0.291 187 R C -0.391 176.088 176.300 0.299 0.000 0.934 187 R CA 0.998 57.272 56.100 0.289 0.000 1.116 187 R CB -0.152 30.320 30.300 0.288 0.000 0.895 187 R HN 0.794 nan 8.270 nan 0.000 0.410 188 N N 0.512 119.325 118.700 0.187 0.000 2.972 188 N HA 0.230 4.970 4.740 -0.001 0.000 0.262 188 N C -1.249 174.286 175.510 0.042 0.000 1.478 188 N CA -0.978 52.133 53.050 0.102 0.000 0.841 188 N CB 1.631 40.050 38.487 -0.114 0.000 1.512 188 N HN 0.245 nan 8.380 nan 0.000 0.548 189 S N -1.336 114.362 115.700 -0.003 0.000 2.663 189 S HA 0.663 5.132 4.470 -0.001 0.000 0.243 189 S C 0.298 174.855 174.600 -0.072 0.000 1.009 189 S CA -0.084 58.105 58.200 -0.018 0.000 0.988 189 S CB -0.300 62.901 63.200 0.002 0.000 0.896 189 S HN 1.105 nan 8.310 nan 0.000 0.502 190 G N 0.243 108.970 108.800 -0.121 0.000 2.479 190 G HA2 0.400 4.360 3.960 -0.001 0.000 0.686 190 G HA3 0.400 4.360 3.960 -0.001 0.000 0.686 190 G C 0.322 175.080 174.900 -0.235 0.000 1.295 190 G CA -0.384 44.629 45.100 -0.144 0.000 0.922 190 G HN 1.174 nan 8.290 nan 0.000 0.582 191 G N -2.370 106.302 108.800 -0.212 0.000 2.176 191 G HA2 0.272 4.231 3.960 -0.001 0.000 0.252 191 G HA3 0.272 4.231 3.960 -0.001 0.000 0.252 191 G C 0.760 175.429 174.900 -0.385 0.000 1.024 191 G CA 1.403 46.337 45.100 -0.278 0.000 0.755 191 G HN 2.419 nan 8.290 nan 0.000 0.507 192 V N -3.332 116.394 119.914 -0.314 0.000 2.823 192 V HA 0.916 5.035 4.120 -0.001 0.000 0.312 192 V C -1.569 174.469 176.094 -0.092 0.000 1.072 192 V CA -2.639 59.483 62.300 -0.297 0.000 0.937 192 V CB 1.764 33.291 31.823 -0.493 0.000 1.013 192 V HN 0.068 nan 8.190 nan 0.000 0.430 193 P HA 0.262 nan 4.420 nan 0.000 0.272 193 P C 0.455 177.838 177.300 0.137 0.000 1.254 193 P CA -0.151 62.998 63.100 0.082 0.000 0.795 193 P CB 0.688 32.463 31.700 0.125 0.000 1.022 194 E N 0.793 121.062 120.200 0.114 0.000 2.208 194 E HA -0.128 4.221 4.350 -0.001 0.000 0.193 194 E C 0.925 177.595 176.600 0.118 0.000 0.988 194 E CA 0.875 57.336 56.400 0.102 0.000 0.828 194 E CB -0.617 29.125 29.700 0.071 0.000 0.763 194 E HN 0.388 nan 8.360 nan 0.000 0.478 195 N N 0.294 119.083 118.700 0.148 0.000 2.375 195 N HA -0.064 4.676 4.740 -0.001 0.000 0.220 195 N C -0.418 175.147 175.510 0.092 0.000 1.170 195 N CA -0.326 52.789 53.050 0.108 0.000 0.833 195 N CB -0.892 37.676 38.487 0.134 0.000 1.069 195 N HN 0.021 nan 8.380 nan 0.000 0.479 196 F N 1.920 121.877 119.950 0.013 0.000 2.504 196 F HA 0.329 4.856 4.527 -0.001 0.000 0.369 196 F C -0.075 175.600 175.800 -0.208 0.000 1.082 196 F CA -0.155 57.827 58.000 -0.031 0.000 1.216 196 F CB 0.467 39.500 39.000 0.054 0.000 1.108 196 F HN -0.063 nan 8.300 nan 0.000 0.554 197 K N 5.080 124.723 120.400 -1.262 0.000 2.523 197 K HA 0.199 4.519 4.320 -0.001 0.000 0.257 197 K C -1.415 174.371 176.600 -1.356 0.000 0.932 197 K CA -1.058 54.418 56.287 -1.351 0.000 0.812 197 K CB 1.941 33.575 32.500 -1.443 0.000 1.326 197 K HN 0.627 nan 8.250 nan 0.000 0.433 198 N N 2.802 120.900 118.700 -1.003 0.000 2.446 198 N HA 0.232 4.971 4.740 -0.001 0.000 0.265 198 N C -1.407 173.741 175.510 -0.604 0.000 0.975 198 N CA -0.336 52.263 53.050 -0.752 0.000 0.928 198 N CB 0.685 38.917 38.487 -0.424 0.000 1.160 198 N HN 0.424 nan 8.380 nan 0.000 0.495 199 Y N 3.929 123.947 120.300 -0.469 0.000 2.327 199 Y HA 0.324 4.873 4.550 -0.001 0.000 0.336 199 Y C 0.102 175.806 175.900 -0.328 0.000 1.035 199 Y CA -0.818 56.927 58.100 -0.592 0.000 1.165 199 Y CB 0.506 38.353 38.460 -1.022 0.000 1.181 199 Y HN 0.318 nan 8.280 nan 0.000 0.494 200 F N 1.496 121.371 119.950 -0.125 0.000 2.561 200 F HA 0.914 5.441 4.527 -0.001 0.000 0.321 200 F C -1.366 174.493 175.800 0.100 0.000 1.065 200 F CA -1.979 55.962 58.000 -0.098 0.000 0.934 200 F CB 1.183 39.837 39.000 -0.576 0.000 1.215 200 F HN 0.210 nan 8.300 nan 0.000 0.471 201 I N 3.317 124.099 120.570 0.353 0.000 2.582 201 I HA 0.466 4.635 4.170 -0.001 0.000 0.292 201 I C -1.103 175.188 176.117 0.291 0.000 1.066 201 I CA -0.719 60.754 61.300 0.288 0.000 1.053 201 I CB 2.400 40.539 38.000 0.232 0.000 1.241 201 I HN 0.582 nan 8.210 nan 0.000 0.421 202 I N 5.323 126.043 120.570 0.251 0.000 2.439 202 I HA 0.322 4.492 4.170 -0.001 0.000 0.285 202 I C -0.671 175.494 176.117 0.081 0.000 1.021 202 I CA -0.449 60.933 61.300 0.136 0.000 1.091 202 I CB 1.657 39.734 38.000 0.128 0.000 1.242 202 I HN 0.526 nan 8.210 nan 0.000 0.439 203 E N 6.045 126.248 120.200 0.006 0.000 2.133 203 E HA 0.482 4.831 4.350 -0.001 0.000 0.274 203 E C -1.201 175.387 176.600 -0.020 0.000 0.930 203 E CA -0.578 55.865 56.400 0.072 0.000 0.770 203 E CB 1.712 31.463 29.700 0.085 0.000 1.104 203 E HN 0.271 nan 8.360 nan 0.000 0.403 204 F N 1.567 121.657 119.950 0.234 0.000 2.378 204 F HA 0.133 4.659 4.527 -0.001 0.000 0.325 204 F C 1.350 177.225 175.800 0.125 0.000 1.097 204 F CA -0.664 57.481 58.000 0.242 0.000 1.079 204 F CB 0.821 40.061 39.000 0.400 0.000 1.240 204 F HN 0.452 nan 8.300 nan 0.000 0.519 205 D N -0.316 120.257 120.400 0.287 0.000 2.388 205 D HA 0.076 4.716 4.640 -0.001 0.000 0.221 205 D C -0.153 176.194 176.300 0.078 0.000 1.133 205 D CA 0.034 54.116 54.000 0.136 0.000 0.831 205 D CB 0.089 40.941 40.800 0.087 0.000 0.962 205 D HN 0.153 nan 8.370 nan 0.000 0.502 206 K N 1.249 121.709 120.400 0.100 0.000 2.468 206 K HA 0.360 4.679 4.320 -0.001 0.000 0.252 206 K C -3.048 173.526 176.600 -0.043 0.000 0.932 206 K CA -1.879 54.375 56.287 -0.055 0.000 0.794 206 K CB 2.718 35.041 32.500 -0.294 0.000 1.241 206 K HN -0.110 nan 8.250 nan 0.000 0.428 207 P HA 0.173 nan 4.420 nan 0.000 0.272 207 P C -0.633 176.690 177.300 0.039 0.000 1.223 207 P CA -0.177 62.815 63.100 -0.180 0.000 0.784 207 P CB 0.205 31.838 31.700 -0.111 0.000 0.923 208 F N -0.422 119.603 119.950 0.126 0.000 2.410 208 F HA 0.275 4.801 4.527 -0.001 0.000 0.348 208 F C 1.762 177.614 175.800 0.087 0.000 1.106 208 F CA -0.427 57.642 58.000 0.116 0.000 1.163 208 F CB -0.231 38.766 39.000 -0.005 0.000 1.129 208 F HN 0.150 nan 8.300 nan 0.000 0.516 209 T N 1.358 116.085 114.554 0.289 0.000 3.060 209 T HA 0.032 4.381 4.350 -0.001 0.000 0.249 209 T C -0.948 173.878 174.700 0.210 0.000 1.079 209 T CA 0.535 62.747 62.100 0.187 0.000 1.013 209 T CB -0.431 68.524 68.868 0.144 0.000 0.975 209 T HN 0.499 nan 8.240 nan 0.000 0.518 210 Y N 2.346 122.685 120.300 0.066 0.000 2.470 210 Y HA 0.522 5.071 4.550 -0.001 0.000 0.341 210 Y C -1.655 174.228 175.900 -0.030 0.000 1.021 210 Y CA -1.545 56.572 58.100 0.029 0.000 1.025 210 Y CB 1.182 39.675 38.460 0.055 0.000 1.266 210 Y HN -0.030 nan 8.280 nan 0.000 0.448 211 K N 4.354 124.391 120.400 -0.606 0.000 2.523 211 K HA 0.979 5.299 4.320 -0.001 0.000 0.257 211 K C -2.071 174.140 176.600 -0.648 0.000 0.932 211 K CA -1.130 54.857 56.287 -0.500 0.000 0.812 211 K CB 2.316 34.676 32.500 -0.234 0.000 1.326 211 K HN 0.837 nan 8.250 nan 0.000 0.433 212 A N 1.251 123.820 122.820 -0.418 0.000 2.540 212 A HA 0.595 4.914 4.320 -0.001 0.000 0.297 212 A C -0.616 176.843 177.584 -0.208 0.000 1.056 212 A CA -0.713 51.145 52.037 -0.299 0.000 0.700 212 A CB 1.457 20.312 19.000 -0.243 0.000 1.280 212 A HN 0.816 nan 8.150 nan 0.000 0.398 213 T N -0.915 113.521 114.554 -0.197 0.000 2.902 213 T HA 0.723 5.072 4.350 -0.001 0.000 0.280 213 T C -0.203 174.350 174.700 -0.245 0.000 0.992 213 T CA -0.636 61.341 62.100 -0.205 0.000 1.015 213 T CB 1.333 70.090 68.868 -0.185 0.000 1.044 213 T HN 0.965 nan 8.240 nan 0.000 0.520 214 V N 1.597 121.307 119.914 -0.340 0.000 2.588 214 V HA 0.561 4.680 4.120 -0.001 0.000 0.304 214 V C -0.379 175.476 176.094 -0.398 0.000 1.042 214 V CA -0.777 61.244 62.300 -0.464 0.000 0.877 214 V CB 1.595 32.865 31.823 -0.922 0.000 0.996 214 V HN 1.028 nan 8.190 nan 0.000 0.425 215 E N 4.439 124.468 120.200 -0.284 0.000 2.182 215 E HA 0.278 4.627 4.350 -0.001 0.000 0.258 215 E C -0.490 176.019 176.600 -0.151 0.000 0.879 215 E CA -0.684 55.609 56.400 -0.179 0.000 0.754 215 E CB 0.934 30.566 29.700 -0.113 0.000 1.162 215 E HN 0.685 nan 8.360 nan 0.000 0.419 216 N N 3.607 122.236 118.700 -0.119 0.000 2.678 216 N HA -0.240 4.500 4.740 -0.001 0.000 0.268 216 N C 0.777 176.247 175.510 -0.067 0.000 1.010 216 N CA 1.670 54.691 53.050 -0.048 0.000 0.784 216 N CB -1.292 37.201 38.487 0.010 0.000 0.905 216 N HN 0.927 nan 8.380 nan 0.000 0.552 217 G N -1.522 107.193 108.800 -0.141 0.000 2.184 217 G HA2 -0.359 3.601 3.960 -0.001 0.000 0.264 217 G HA3 -0.359 3.601 3.960 -0.001 0.000 0.264 217 G C -0.002 174.844 174.900 -0.090 0.000 0.975 217 G CA 0.307 45.370 45.100 -0.061 0.000 0.642 217 G HN 0.559 nan 8.290 nan 0.000 0.536 218 N N 0.173 118.792 118.700 -0.135 0.000 2.426 218 N HA 0.524 5.264 4.740 -0.001 0.000 0.275 218 N C -0.437 174.983 175.510 -0.150 0.000 1.019 218 N CA -0.507 52.477 53.050 -0.112 0.000 0.941 218 N CB 1.665 40.101 38.487 -0.086 0.000 1.123 218 N HN 0.191 nan 8.380 nan 0.000 0.486 219 L N 2.386 123.541 121.223 -0.113 0.000 2.278 219 L HA 0.235 4.574 4.340 -0.001 0.000 0.287 219 L C -0.202 176.606 176.870 -0.103 0.000 1.072 219 L CA 0.213 54.984 54.840 -0.114 0.000 0.819 219 L CB 0.239 42.256 42.059 -0.071 0.000 1.176 219 L HN 0.430 nan 8.230 nan 0.000 0.435 220 Q N 4.020 123.744 119.800 -0.127 0.000 2.523 220 Q HA 0.241 4.580 4.340 -0.001 0.000 0.251 220 Q C -0.782 175.132 176.000 -0.143 0.000 1.033 220 Q CA -0.247 55.486 55.803 -0.117 0.000 0.746 220 Q CB 1.228 29.899 28.738 -0.111 0.000 1.189 220 Q HN 0.615 nan 8.270 nan 0.000 0.508 221 E N 2.370 122.483 120.200 -0.146 0.000 2.376 221 E HA -0.062 4.287 4.350 -0.001 0.000 0.266 221 E C 0.005 176.494 176.600 -0.185 0.000 1.009 221 E CA 0.270 56.536 56.400 -0.224 0.000 0.902 221 E CB 0.352 29.920 29.700 -0.219 0.000 0.972 221 E HN 0.541 nan 8.360 nan 0.000 0.439 222 N N 1.378 119.949 118.700 -0.215 0.000 2.900 222 N HA -0.184 4.555 4.740 -0.001 0.000 0.240 222 N C -0.745 174.702 175.510 -0.106 0.000 0.953 222 N CA 1.010 53.973 53.050 -0.145 0.000 0.950 222 N CB -1.290 37.130 38.487 -0.113 0.000 1.102 222 N HN 0.263 nan 8.380 nan 0.000 0.593 223 V N 1.355 121.202 119.914 -0.112 0.000 2.479 223 V HA 0.332 4.451 4.120 -0.001 0.000 0.281 223 V C 1.782 177.816 176.094 -0.100 0.000 1.031 223 V CA 0.636 62.881 62.300 -0.092 0.000 1.038 223 V CB 1.181 32.950 31.823 -0.090 0.000 0.981 223 V HN 0.384 nan 8.190 nan 0.000 0.478 224 A N 4.127 126.901 122.820 -0.078 0.000 2.014 224 A HA 0.056 4.376 4.320 -0.001 0.000 0.218 224 A C 0.942 178.465 177.584 -0.102 0.000 1.163 224 A CA 0.859 52.849 52.037 -0.078 0.000 0.652 224 A CB 0.046 19.017 19.000 -0.049 0.000 0.808 224 A HN 0.812 nan 8.150 nan 0.000 0.449 225 E N -0.676 119.468 120.200 -0.094 0.000 2.356 225 E HA 0.439 4.789 4.350 -0.001 0.000 0.275 225 E C -1.715 174.835 176.600 -0.084 0.000 0.904 225 E CA -0.686 55.650 56.400 -0.105 0.000 0.757 225 E CB 1.045 30.731 29.700 -0.024 0.000 1.232 225 E HN 0.207 nan 8.360 nan 0.000 0.442 226 Q N 1.619 121.354 119.800 -0.108 0.000 2.284 226 Q HA 0.362 4.701 4.340 -0.001 0.000 0.269 226 Q C -1.482 174.550 176.000 0.054 0.000 1.026 226 Q CA -0.632 55.143 55.803 -0.047 0.000 0.831 226 Q CB 2.456 31.133 28.738 -0.100 0.000 1.322 226 Q HN 0.521 nan 8.270 nan 0.000 0.419 227 T N 1.665 116.283 114.554 0.107 0.000 2.892 227 T HA 0.613 4.962 4.350 -0.001 0.000 0.311 227 T C -0.427 174.332 174.700 0.099 0.000 1.033 227 T CA -0.321 61.870 62.100 0.152 0.000 0.991 227 T CB 1.294 70.255 68.868 0.155 0.000 0.981 227 T HN 0.567 nan 8.240 nan 0.000 0.457 228 T N 0.983 115.598 114.554 0.103 0.000 2.718 228 T HA 0.281 4.630 4.350 -0.001 0.000 0.306 228 T C 0.498 175.275 174.700 0.128 0.000 1.485 228 T CA -0.397 61.757 62.100 0.091 0.000 0.997 228 T CB 1.733 70.630 68.868 0.048 0.000 1.504 228 T HN 0.442 nan 8.240 nan 0.000 0.497 229 D N 0.311 120.785 120.400 0.124 0.000 2.106 229 D HA -0.123 4.516 4.640 -0.001 0.000 0.191 229 D C 0.676 177.108 176.300 0.219 0.000 0.997 229 D CA 1.774 55.864 54.000 0.150 0.000 0.834 229 D CB -0.039 40.835 40.800 0.122 0.000 0.956 229 D HN 0.565 nan 8.370 nan 0.000 0.448 230 H N -0.775 118.345 119.070 0.083 0.000 2.854 230 H HA 0.579 5.135 4.556 -0.001 0.000 0.275 230 H C -1.259 174.095 175.328 0.042 0.000 1.198 230 H CA -0.925 55.187 56.048 0.106 0.000 1.489 230 H CB 0.656 30.488 29.762 0.117 0.000 1.519 230 H HN 0.177 nan 8.280 nan 0.000 0.503 231 A N 3.344 126.301 122.820 0.227 0.000 2.327 231 A HA 0.673 4.993 4.320 -0.001 0.000 0.283 231 A C 0.286 177.863 177.584 -0.012 0.000 1.127 231 A CA 0.218 52.264 52.037 0.015 0.000 0.810 231 A CB 0.910 19.914 19.000 0.006 0.000 1.066 231 A HN 0.753 nan 8.150 nan 0.000 0.492 232 G N -0.940 107.699 108.800 -0.267 0.000 2.684 232 G HA2 0.790 4.749 3.960 -0.001 0.000 0.290 232 G HA3 0.790 4.749 3.960 -0.001 0.000 0.290 232 G C -1.011 173.764 174.900 -0.207 0.000 1.425 232 G CA 0.076 45.027 45.100 -0.248 0.000 0.822 232 G HN 1.696 nan 8.290 nan 0.000 0.482 233 A N -0.194 122.618 122.820 -0.014 0.000 2.475 233 A HA 0.844 5.163 4.320 -0.001 0.000 0.301 233 A C -1.162 176.435 177.584 0.022 0.000 1.059 233 A CA -0.582 51.425 52.037 -0.050 0.000 0.710 233 A CB 1.322 20.296 19.000 -0.043 0.000 1.288 233 A HN 0.742 nan 8.150 nan 0.000 0.408 234 I N 2.681 123.228 120.570 -0.038 0.000 2.468 234 I HA 0.396 4.565 4.170 -0.001 0.000 0.285 234 I C -0.946 175.145 176.117 -0.043 0.000 1.039 234 I CA -0.587 60.709 61.300 -0.007 0.000 1.074 234 I CB 1.662 39.669 38.000 0.012 0.000 1.228 234 I HN 0.664 nan 8.210 nan 0.000 0.436 235 I N 3.058 123.506 120.570 -0.202 0.000 2.648 235 I HA 1.034 5.203 4.170 -0.001 0.000 0.304 235 I C 0.142 176.065 176.117 -0.323 0.000 1.009 235 I CA -0.316 60.758 61.300 -0.376 0.000 1.114 235 I CB 1.836 39.131 38.000 -1.176 0.000 1.293 235 I HN 0.499 nan 8.210 nan 0.000 0.449 236 G N 3.132 111.776 108.800 -0.259 0.000 2.694 236 G HA2 0.874 4.834 3.960 -0.001 0.000 0.290 236 G HA3 0.874 4.834 3.960 -0.001 0.000 0.290 236 G C -1.429 173.055 174.900 -0.694 0.000 1.386 236 G CA -0.885 43.807 45.100 -0.680 0.000 0.872 236 G HN 0.893 nan 8.290 nan 0.000 0.475 237 F N -2.076 117.698 119.950 -0.294 0.000 2.807 237 F HA 0.633 5.160 4.527 -0.001 0.000 0.316 237 F C -0.526 175.075 175.800 -0.332 0.000 1.162 237 F CA -1.505 56.363 58.000 -0.220 0.000 0.910 237 F CB 1.674 40.584 39.000 -0.150 0.000 1.314 237 F HN 0.500 nan 8.300 nan 0.000 0.454 238 K N 1.068 121.493 120.400 0.041 0.000 2.218 238 K HA 0.619 4.938 4.320 -0.001 0.000 0.276 238 K C -0.840 175.715 176.600 -0.074 0.000 1.022 238 K CA -0.125 56.112 56.287 -0.082 0.000 0.946 238 K CB 1.381 33.828 32.500 -0.088 0.000 1.000 238 K HN 0.848 nan 8.250 nan 0.000 0.468 239 T N 0.706 115.199 114.554 -0.101 0.000 2.893 239 T HA 0.481 4.830 4.350 -0.001 0.000 0.293 239 T C -0.367 174.320 174.700 -0.022 0.000 1.027 239 T CA -1.106 60.949 62.100 -0.075 0.000 0.988 239 T CB 1.494 70.315 68.868 -0.078 0.000 1.043 239 T HN 0.521 nan 8.240 nan 0.000 0.461 240 R N 0.903 121.404 120.500 0.001 0.000 2.532 240 R HA 0.439 4.779 4.340 -0.001 0.000 0.272 240 R C 0.255 176.591 176.300 0.061 0.000 1.032 240 R CA -1.052 55.060 56.100 0.020 0.000 1.089 240 R CB 0.888 31.195 30.300 0.011 0.000 1.098 240 R HN 0.668 nan 8.270 nan 0.000 0.526 241 K N 0.897 121.333 120.400 0.060 0.000 2.511 241 K HA -0.087 4.232 4.320 -0.001 0.000 0.280 241 K C 0.635 177.286 176.600 0.086 0.000 1.008 241 K CA 1.321 57.656 56.287 0.081 0.000 1.050 241 K CB 0.112 32.650 32.500 0.063 0.000 0.889 241 K HN 0.803 nan 8.250 nan 0.000 0.484 242 G N 2.821 111.690 108.800 0.115 0.000 2.184 242 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.264 242 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.264 242 G C 0.012 174.980 174.900 0.114 0.000 0.975 242 G CA 0.552 45.715 45.100 0.105 0.000 0.642 242 G HN 0.771 nan 8.290 nan 0.000 0.536 243 E N 1.163 121.440 120.200 0.129 0.000 2.493 243 E HA 0.252 4.602 4.350 -0.001 0.000 0.255 243 E C 0.510 177.224 176.600 0.190 0.000 0.999 243 E CA 0.117 56.588 56.400 0.119 0.000 0.934 243 E CB 0.128 29.874 29.700 0.077 0.000 0.940 243 E HN 0.577 nan 8.360 nan 0.000 0.473 244 Q N 2.443 122.324 119.800 0.135 0.000 2.241 244 Q HA 0.414 4.753 4.340 -0.001 0.000 0.254 244 Q C -0.965 175.132 176.000 0.162 0.000 0.917 244 Q CA -0.775 55.120 55.803 0.154 0.000 0.919 244 Q CB 2.208 30.997 28.738 0.083 0.000 1.237 244 Q HN 0.311 nan 8.270 nan 0.000 0.434 245 V N 2.890 122.963 119.914 0.266 0.000 2.487 245 V HA 0.309 4.428 4.120 -0.001 0.000 0.298 245 V C -0.468 175.785 176.094 0.266 0.000 1.028 245 V CA -0.899 61.577 62.300 0.294 0.000 0.860 245 V CB 1.692 33.829 31.823 0.523 0.000 0.991 245 V HN 0.762 nan 8.190 nan 0.000 0.427 246 N N 3.008 121.816 118.700 0.181 0.000 2.421 246 N HA 0.711 5.450 4.740 -0.001 0.000 0.285 246 N C -0.535 175.034 175.510 0.099 0.000 1.027 246 N CA -0.296 52.797 53.050 0.072 0.000 0.918 246 N CB 2.495 40.995 38.487 0.022 0.000 1.152 246 N HN 0.789 nan 8.380 nan 0.000 0.485 247 A N 2.955 125.760 122.820 -0.026 0.000 2.311 247 A HA 0.397 4.717 4.320 -0.001 0.000 0.306 247 A C -0.167 177.354 177.584 -0.104 0.000 1.189 247 A CA -0.817 51.114 52.037 -0.178 0.000 0.791 247 A CB 0.780 19.595 19.000 -0.308 0.000 1.172 247 A HN 0.588 nan 8.150 nan 0.000 0.481 248 R N 2.422 122.872 120.500 -0.084 0.000 2.357 248 R HA 0.644 4.984 4.340 -0.001 0.000 0.296 248 R C -0.840 175.474 176.300 0.022 0.000 1.052 248 R CA -0.101 55.988 56.100 -0.019 0.000 0.988 248 R CB 0.889 31.194 30.300 0.009 0.000 1.025 248 R HN 0.644 nan 8.270 nan 0.000 0.469 249 I N 0.916 121.529 120.570 0.073 0.000 2.619 249 I HA 0.610 4.779 4.170 -0.001 0.000 0.292 249 I C -0.589 175.676 176.117 0.246 0.000 1.100 249 I CA -1.019 60.396 61.300 0.191 0.000 1.043 249 I CB 2.174 40.329 38.000 0.259 0.000 1.239 249 I HN 0.678 nan 8.210 nan 0.000 0.420 250 A N 3.637 126.641 122.820 0.306 0.000 2.539 250 A HA 0.898 5.218 4.320 -0.001 0.000 0.296 250 A C -0.729 177.054 177.584 0.331 0.000 1.073 250 A CA -0.508 51.709 52.037 0.301 0.000 0.700 250 A CB 2.161 21.278 19.000 0.196 0.000 1.296 250 A HN 0.800 nan 8.150 nan 0.000 0.405 251 S N -0.046 115.817 115.700 0.271 0.000 2.599 251 S HA 0.897 5.366 4.470 -0.001 0.000 0.287 251 S C -0.453 174.139 174.600 -0.014 0.000 1.105 251 S CA -0.185 58.110 58.200 0.159 0.000 0.899 251 S CB 1.754 65.084 63.200 0.216 0.000 1.100 251 S HN 1.778 nan 8.310 nan 0.000 0.482 252 S N -0.431 115.188 115.700 -0.136 0.000 2.595 252 S HA 0.696 5.165 4.470 -0.001 0.000 0.281 252 S C -0.960 173.416 174.600 -0.374 0.000 1.117 252 S CA -0.742 57.352 58.200 -0.177 0.000 0.873 252 S CB 0.884 64.057 63.200 -0.046 0.000 1.108 252 S HN 0.654 nan 8.310 nan 0.000 0.477 253 F N 1.517 121.405 119.950 -0.104 0.000 2.727 253 F HA 0.434 4.960 4.527 -0.001 0.000 0.302 253 F C 1.170 176.855 175.800 -0.190 0.000 1.097 253 F CA 0.029 57.874 58.000 -0.258 0.000 1.330 253 F CB 0.224 39.033 39.000 -0.319 0.000 1.084 253 F HN 0.397 nan 8.300 nan 0.000 0.578 254 I N -1.704 118.936 120.570 0.118 0.000 3.132 254 I HA 0.106 4.276 4.170 -0.001 0.000 0.255 254 I C 0.571 176.580 176.117 -0.180 0.000 1.118 254 I CA 0.311 61.654 61.300 0.072 0.000 1.463 254 I CB 0.252 38.294 38.000 0.069 0.000 1.356 254 I HN -0.013 nan 8.210 nan 0.000 0.463 255 S N -1.546 113.881 115.700 -0.455 0.000 2.627 255 S HA 0.309 4.779 4.470 -0.001 0.000 0.268 255 S C 0.017 174.196 174.600 -0.701 0.000 1.130 255 S CA -0.718 56.879 58.200 -1.005 0.000 0.819 255 S CB 0.409 63.328 63.200 -0.468 0.000 1.100 255 S HN 0.050 nan 8.310 nan 0.000 0.465 256 F N 1.407 121.041 119.950 -0.528 0.000 2.161 256 F HA 0.009 4.535 4.527 -0.001 0.000 0.300 256 F C 2.741 178.473 175.800 -0.114 0.000 1.089 256 F CA 1.916 59.796 58.000 -0.199 0.000 1.282 256 F CB -0.325 38.593 39.000 -0.136 0.000 1.010 256 F HN 0.911 nan 8.300 nan 0.000 0.485 257 E N 0.192 120.424 120.200 0.053 0.000 2.097 257 E HA -0.330 4.019 4.350 -0.001 0.000 0.196 257 E C 2.184 178.794 176.600 0.017 0.000 1.000 257 E CA 1.617 58.034 56.400 0.028 0.000 0.804 257 E CB -0.129 29.571 29.700 0.001 0.000 0.740 257 E HN 0.331 nan 8.360 nan 0.000 0.454 258 Q N 0.349 120.135 119.800 -0.024 0.000 2.123 258 Q HA -0.010 4.329 4.340 -0.001 0.000 0.199 258 Q C 1.853 177.868 176.000 0.025 0.000 0.966 258 Q CA 1.760 57.563 55.803 0.001 0.000 0.845 258 Q CB -0.448 28.283 28.738 -0.011 0.000 0.907 258 Q HN 0.345 nan 8.270 nan 0.000 0.439 259 A N 0.452 123.279 122.820 0.012 0.000 1.883 259 A HA -0.148 4.172 4.320 -0.001 0.000 0.217 259 A C 2.293 179.935 177.584 0.097 0.000 1.186 259 A CA 2.162 54.236 52.037 0.061 0.000 0.624 259 A CB -1.260 17.782 19.000 0.071 0.000 0.822 259 A HN 0.499 nan 8.150 nan 0.000 0.444 260 A N -0.322 122.557 122.820 0.098 0.000 1.902 260 A HA 0.146 4.465 4.320 -0.001 0.000 0.217 260 A C 2.483 180.114 177.584 0.078 0.000 1.181 260 A CA 2.145 54.239 52.037 0.095 0.000 0.623 260 A CB -0.971 18.081 19.000 0.087 0.000 0.818 260 A HN 1.131 nan 8.150 nan 0.000 0.443 261 A N 0.114 122.974 122.820 0.067 0.000 1.969 261 A HA -0.155 4.164 4.320 -0.001 0.000 0.218 261 A C 1.826 179.454 177.584 0.073 0.000 1.169 261 A CA 1.694 53.769 52.037 0.063 0.000 0.635 261 A CB -0.563 18.471 19.000 0.057 0.000 0.810 261 A HN 0.541 nan 8.150 nan 0.000 0.445 262 N N -0.774 117.974 118.700 0.080 0.000 2.244 262 N HA -0.134 4.606 4.740 -0.001 0.000 0.183 262 N C 1.476 177.044 175.510 0.097 0.000 1.016 262 N CA 1.551 54.655 53.050 0.091 0.000 0.866 262 N CB -0.482 38.064 38.487 0.097 0.000 0.980 262 N HN 0.457 nan 8.380 nan 0.000 0.430 263 M N 1.447 121.105 119.600 0.098 0.000 2.143 263 M HA -0.124 4.356 4.480 -0.001 0.000 0.258 263 M C 0.861 177.205 176.300 0.073 0.000 1.071 263 M CA 1.410 56.765 55.300 0.091 0.000 1.088 263 M CB -0.441 32.212 32.600 0.090 0.000 1.360 263 M HN 0.045 nan 8.290 nan 0.000 0.404 264 N N 0.410 119.150 118.700 0.068 0.000 2.513 264 N HA -0.155 4.584 4.740 -0.001 0.000 0.187 264 N C 1.206 176.750 175.510 0.057 0.000 1.056 264 N CA 1.230 54.315 53.050 0.058 0.000 0.907 264 N CB -0.437 38.083 38.487 0.056 0.000 0.954 264 N HN 0.625 nan 8.380 nan 0.000 0.445 265 E N 0.275 120.514 120.200 0.066 0.000 2.338 265 E HA -0.050 4.299 4.350 -0.001 0.000 0.197 265 E C 1.546 178.178 176.600 0.054 0.000 1.007 265 E CA 0.391 56.830 56.400 0.065 0.000 0.849 265 E CB -0.038 29.709 29.700 0.079 0.000 0.774 265 E HN 0.393 nan 8.360 nan 0.000 0.506 266 L N -0.045 121.206 121.223 0.048 0.000 2.240 266 L HA 0.030 4.369 4.340 -0.001 0.000 0.211 266 L C 1.606 178.492 176.870 0.027 0.000 1.106 266 L CA 0.421 55.280 54.840 0.032 0.000 0.793 266 L CB -0.867 41.208 42.059 0.027 0.000 0.927 266 L HN 0.251 nan 8.230 nan 0.000 0.446 267 G N 0.845 109.664 108.800 0.032 0.000 2.596 267 G HA2 -0.389 3.570 3.960 -0.001 0.000 0.295 267 G HA3 -0.389 3.570 3.960 -0.001 0.000 0.295 267 G C 0.531 175.444 174.900 0.022 0.000 1.240 267 G CA 0.494 45.610 45.100 0.027 0.000 0.985 267 G HN 0.314 nan 8.290 nan 0.000 0.555 268 K N 1.027 121.437 120.400 0.017 0.000 2.514 268 K HA 0.193 4.512 4.320 -0.001 0.000 0.207 268 K C -0.329 176.275 176.600 0.006 0.000 1.035 268 K CA -0.234 56.061 56.287 0.013 0.000 1.113 268 K CB 0.251 32.758 32.500 0.012 0.000 0.846 268 K HN 0.435 nan 8.250 nan 0.000 0.491 269 D N 2.419 122.822 120.400 0.005 0.000 2.419 269 D HA -0.057 4.582 4.640 -0.001 0.000 0.236 269 D C 0.250 176.545 176.300 -0.008 0.000 1.165 269 D CA 0.542 54.541 54.000 -0.002 0.000 0.882 269 D CB 0.550 41.350 40.800 0.000 0.000 1.201 269 D HN 0.257 nan 8.370 nan 0.000 0.443 270 N N 0.523 119.215 118.700 -0.013 0.000 2.530 270 N HA 0.161 4.901 4.740 -0.001 0.000 0.283 270 N C 1.097 176.593 175.510 -0.024 0.000 1.238 270 N CA -0.647 52.391 53.050 -0.019 0.000 0.971 270 N CB 0.631 39.107 38.487 -0.018 0.000 1.195 270 N HN 0.126 nan 8.380 nan 0.000 0.583 271 I N -0.090 120.464 120.570 -0.027 0.000 2.145 271 I HA -0.266 3.904 4.170 -0.001 0.000 0.244 271 I C 1.637 177.740 176.117 -0.022 0.000 1.075 271 I CA 1.830 63.121 61.300 -0.014 0.000 1.332 271 I CB -1.052 36.950 38.000 0.003 0.000 1.033 271 I HN 0.585 nan 8.210 nan 0.000 0.410 272 E N 0.550 120.721 120.200 -0.048 0.000 2.110 272 E HA -0.213 4.137 4.350 -0.001 0.000 0.193 272 E C 2.242 178.807 176.600 -0.057 0.000 0.988 272 E CA 1.115 57.469 56.400 -0.076 0.000 0.804 272 E CB -0.251 29.405 29.700 -0.073 0.000 0.745 272 E HN 0.558 nan 8.360 nan 0.000 0.458 273 Q N -0.241 119.536 119.800 -0.037 0.000 2.049 273 Q HA 0.011 4.351 4.340 -0.001 0.000 0.198 273 Q C 2.262 178.252 176.000 -0.016 0.000 0.971 273 Q CA 0.803 56.589 55.803 -0.029 0.000 0.833 273 Q CB -0.079 28.647 28.738 -0.020 0.000 0.896 273 Q HN 0.243 nan 8.270 nan 0.000 0.434 274 L N 0.327 121.548 121.223 -0.003 0.000 2.083 274 L HA -0.188 4.151 4.340 -0.001 0.000 0.209 274 L C 2.467 179.368 176.870 0.053 0.000 1.083 274 L CA 0.983 55.835 54.840 0.020 0.000 0.752 274 L CB -0.514 41.553 42.059 0.014 0.000 0.899 274 L HN 0.239 nan 8.230 nan 0.000 0.433 275 A N -0.659 122.199 122.820 0.063 0.000 1.898 275 A HA -0.267 4.052 4.320 -0.001 0.000 0.216 275 A C 2.198 179.756 177.584 -0.044 0.000 1.181 275 A CA 1.694 53.821 52.037 0.151 0.000 0.620 275 A CB -0.472 18.596 19.000 0.114 0.000 0.819 275 A HN 0.376 nan 8.150 nan 0.000 0.442 276 Q N 0.245 119.990 119.800 -0.091 0.000 2.061 276 Q HA -0.152 4.187 4.340 -0.001 0.000 0.204 276 Q C 1.921 177.851 176.000 -0.116 0.000 0.984 276 Q CA 2.299 58.015 55.803 -0.145 0.000 0.846 276 Q CB -0.320 28.358 28.738 -0.099 0.000 0.902 276 Q HN 0.674 nan 8.270 nan 0.000 0.421 277 K N -1.200 119.172 120.400 -0.047 0.000 2.057 277 K HA -0.045 4.274 4.320 -0.001 0.000 0.206 277 K C 1.992 178.596 176.600 0.007 0.000 1.050 277 K CA 1.085 57.363 56.287 -0.016 0.000 0.935 277 K CB -0.483 32.022 32.500 0.009 0.000 0.715 277 K HN 0.397 nan 8.250 nan 0.000 0.439 278 G N 1.679 110.511 108.800 0.053 0.000 2.422 278 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.218 278 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.218 278 G C 1.418 176.412 174.900 0.158 0.000 1.146 278 G CA 0.804 46.007 45.100 0.171 0.000 0.769 278 G HN 0.238 nan 8.290 nan 0.000 0.547 279 K N 0.285 120.562 120.400 -0.204 0.000 2.057 279 K HA -0.109 4.211 4.320 -0.001 0.000 0.206 279 K C 1.940 178.483 176.600 -0.096 0.000 1.050 279 K CA 1.517 57.534 56.287 -0.450 0.000 0.935 279 K CB -0.127 31.812 32.500 -0.934 0.000 0.715 279 K HN 0.088 nan 8.250 nan 0.000 0.439 280 D N 0.526 120.879 120.400 -0.079 0.000 2.144 280 D HA -0.138 4.501 4.640 -0.001 0.000 0.199 280 D C 1.756 178.076 176.300 0.033 0.000 0.984 280 D CA 1.332 55.325 54.000 -0.011 0.000 0.834 280 D CB -0.185 40.602 40.800 -0.022 0.000 0.955 280 D HN 0.381 nan 8.370 nan 0.000 0.465 281 A N -0.014 122.817 122.820 0.019 0.000 1.873 281 A HA -0.136 4.184 4.320 -0.001 0.000 0.215 281 A C 2.161 179.693 177.584 -0.086 0.000 1.186 281 A CA 1.036 53.045 52.037 -0.046 0.000 0.616 281 A CB -1.150 17.784 19.000 -0.109 0.000 0.823 281 A HN 0.274 nan 8.150 nan 0.000 0.442 282 W N 0.344 121.673 121.300 0.047 0.000 2.381 282 W HA -0.112 4.547 4.660 -0.001 0.000 0.301 282 W C 2.248 178.818 176.519 0.086 0.000 1.205 282 W CA 1.091 58.475 57.345 0.065 0.000 1.285 282 W CB -0.261 29.267 29.460 0.114 0.000 1.133 282 W HN 0.301 nan 8.180 nan 0.000 0.521 283 N N 0.317 119.205 118.700 0.314 0.000 2.166 283 N HA -0.221 4.518 4.740 -0.001 0.000 0.186 283 N C 1.590 177.216 175.510 0.194 0.000 1.019 283 N CA 1.745 54.984 53.050 0.315 0.000 0.856 283 N CB -0.823 37.845 38.487 0.302 0.000 0.993 283 N HN 0.228 nan 8.380 nan 0.000 0.426 284 Q N 1.053 120.929 119.800 0.126 0.000 2.029 284 Q HA -0.150 4.189 4.340 -0.001 0.000 0.209 284 Q C 1.960 178.006 176.000 0.077 0.000 0.999 284 Q CA 2.555 58.403 55.803 0.076 0.000 0.857 284 Q CB -0.308 28.464 28.738 0.056 0.000 0.926 284 Q HN 0.323 nan 8.270 nan 0.000 0.415 285 V N -2.430 117.544 119.914 0.100 0.000 2.725 285 V HA 0.017 4.136 4.120 -0.001 0.000 0.247 285 V C 2.168 178.389 176.094 0.210 0.000 1.058 285 V CA 1.216 63.629 62.300 0.188 0.000 1.080 285 V CB -0.602 31.245 31.823 0.039 0.000 0.713 285 V HN 0.356 nan 8.190 nan 0.000 0.465 286 L N 1.574 122.902 121.223 0.174 0.000 2.141 286 L HA 0.121 4.460 4.340 -0.001 0.000 0.209 286 L C 2.672 179.390 176.870 -0.253 0.000 1.094 286 L CA 1.517 56.445 54.840 0.146 0.000 0.763 286 L CB -0.990 41.229 42.059 0.265 0.000 0.908 286 L HN 0.502 nan 8.230 nan 0.000 0.437 287 G N -0.681 107.787 108.800 -0.553 0.000 2.776 287 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.209 287 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.209 287 G C 1.486 176.073 174.900 -0.523 0.000 1.145 287 G CA 0.006 44.369 45.100 -1.229 0.000 0.791 287 G HN 0.116 nan 8.290 nan 0.000 0.530 288 K N 0.080 120.359 120.400 -0.202 0.000 2.504 288 K HA 0.121 4.440 4.320 -0.001 0.000 0.195 288 K C 0.378 176.911 176.600 -0.111 0.000 1.036 288 K CA 0.398 56.629 56.287 -0.093 0.000 0.984 288 K CB 0.221 32.654 32.500 -0.111 0.000 0.788 288 K HN 0.389 nan 8.250 nan 0.000 0.488 289 I N 1.599 122.104 120.570 -0.108 0.000 2.503 289 I HA 0.160 4.330 4.170 -0.001 0.000 0.282 289 I C -0.845 175.239 176.117 -0.055 0.000 1.059 289 I CA -0.484 60.775 61.300 -0.069 0.000 1.081 289 I CB 1.769 39.812 38.000 0.072 0.000 1.210 289 I HN -0.153 nan 8.210 nan 0.000 0.450 290 E N 6.097 126.256 120.200 -0.068 0.000 2.134 290 E HA 0.477 4.826 4.350 -0.001 0.000 0.278 290 E C -0.524 176.025 176.600 -0.085 0.000 0.959 290 E CA -0.736 55.700 56.400 0.061 0.000 0.783 290 E CB 2.544 32.362 29.700 0.197 0.000 1.095 290 E HN 0.457 nan 8.360 nan 0.000 0.399 291 V N 0.460 120.263 119.914 -0.185 0.000 2.850 291 V HA 0.711 4.830 4.120 -0.001 0.000 0.315 291 V C -0.355 175.541 176.094 -0.329 0.000 1.064 291 V CA -0.633 61.344 62.300 -0.538 0.000 0.979 291 V CB 1.575 32.504 31.823 -1.490 0.000 1.039 291 V HN 0.859 nan 8.190 nan 0.000 0.452 292 E N 1.164 121.248 120.200 -0.193 0.000 2.416 292 E HA 0.608 4.958 4.350 -0.001 0.000 0.280 292 E C 0.092 176.813 176.600 0.203 0.000 1.055 292 E CA -0.706 55.725 56.400 0.052 0.000 0.825 292 E CB 1.304 31.015 29.700 0.018 0.000 1.312 292 E HN 2.089 nan 8.360 nan 0.000 0.452 293 G N -0.304 108.658 108.800 0.269 0.000 2.140 293 G HA2 0.062 4.022 3.960 -0.001 0.000 0.211 293 G HA3 0.062 4.022 3.960 -0.001 0.000 0.211 293 G C 0.103 175.145 174.900 0.237 0.000 1.013 293 G CA -0.010 45.220 45.100 0.217 0.000 0.705 293 G HN 0.977 nan 8.290 nan 0.000 0.508 294 G N -0.621 108.327 108.800 0.245 0.000 2.798 294 G HA2 0.756 4.715 3.960 -0.001 0.000 0.286 294 G HA3 0.756 4.715 3.960 -0.001 0.000 0.286 294 G C -0.271 174.443 174.900 -0.310 0.000 1.389 294 G CA 0.026 45.122 45.100 -0.008 0.000 0.894 294 G HN 0.995 nan 8.290 nan 0.000 0.488 295 N N -1.232 117.282 118.700 -0.311 0.000 2.413 295 N HA 0.298 5.038 4.740 -0.001 0.000 0.266 295 N C 1.160 176.406 175.510 -0.441 0.000 1.238 295 N CA -0.747 52.139 53.050 -0.273 0.000 0.972 295 N CB 1.158 39.572 38.487 -0.123 0.000 1.210 295 N HN 0.323 nan 8.380 nan 0.000 0.547 296 L N -0.337 120.797 121.223 -0.149 0.000 2.131 296 L HA -0.104 4.236 4.340 -0.001 0.000 0.210 296 L C 1.024 177.929 176.870 0.059 0.000 1.092 296 L CA 1.795 56.657 54.840 0.036 0.000 0.759 296 L CB -0.810 41.350 42.059 0.168 0.000 0.903 296 L HN 0.596 nan 8.230 nan 0.000 0.435 297 D N -0.849 119.557 120.400 0.011 0.000 2.117 297 D HA -0.209 4.430 4.640 -0.001 0.000 0.197 297 D C 2.113 178.457 176.300 0.074 0.000 0.987 297 D CA 1.295 55.321 54.000 0.042 0.000 0.829 297 D CB -0.041 40.766 40.800 0.012 0.000 0.961 297 D HN 0.538 nan 8.370 nan 0.000 0.460 298 Q N -0.542 119.275 119.800 0.029 0.000 2.079 298 Q HA -0.155 4.184 4.340 -0.001 0.000 0.200 298 Q C 2.090 178.330 176.000 0.400 0.000 0.974 298 Q CA 0.960 56.864 55.803 0.168 0.000 0.840 298 Q CB -0.121 28.623 28.738 0.011 0.000 0.898 298 Q HN 0.366 nan 8.270 nan 0.000 0.430 299 Y N 0.670 121.115 120.300 0.241 0.000 2.145 299 Y HA -0.154 4.396 4.550 -0.000 0.000 0.286 299 Y C 2.277 178.308 175.900 0.219 0.000 1.145 299 Y CA 0.937 59.067 58.100 0.049 0.000 1.148 299 Y CB -0.457 37.681 38.460 -0.537 0.000 0.981 299 Y HN 0.027 nan 8.280 nan 0.000 0.507 300 R N -0.589 120.142 120.500 0.385 0.000 2.070 300 R HA -0.139 4.200 4.340 -0.001 0.000 0.233 300 R C 2.215 178.669 176.300 0.256 0.000 1.137 300 R CA 2.149 58.462 56.100 0.355 0.000 0.945 300 R CB -0.881 29.567 30.300 0.247 0.000 0.845 300 R HN 0.261 nan 8.270 nan 0.000 0.430 301 T N 1.057 115.712 114.554 0.168 0.000 2.684 301 T HA -0.201 4.149 4.350 -0.001 0.000 0.267 301 T C 1.461 176.200 174.700 0.064 0.000 1.036 301 T CA 1.571 63.669 62.100 -0.003 0.000 1.148 301 T CB -0.416 68.365 68.868 -0.144 0.000 0.863 301 T HN 0.171 nan 8.240 nan 0.000 0.436 302 F N 0.880 120.951 119.950 0.202 0.000 2.046 302 F HA -0.156 4.370 4.527 -0.001 0.000 0.297 302 F C 2.046 177.836 175.800 -0.017 0.000 1.123 302 F CA 1.345 59.464 58.000 0.198 0.000 1.199 302 F CB -0.434 38.617 39.000 0.085 0.000 0.972 302 F HN 0.130 nan 8.300 nan 0.000 0.474 303 Y N -0.134 120.410 120.300 0.407 0.000 2.439 303 Y HA -0.105 4.445 4.550 -0.001 0.000 0.292 303 Y C 2.653 178.664 175.900 0.185 0.000 1.130 303 Y CA 1.137 59.414 58.100 0.295 0.000 1.254 303 Y CB -0.971 37.742 38.460 0.421 0.000 1.000 303 Y HN 0.028 nan 8.280 nan 0.000 0.554 304 S N -1.069 114.788 115.700 0.261 0.000 2.355 304 S HA -0.192 4.278 4.470 -0.001 0.000 0.222 304 S C 2.212 176.956 174.600 0.240 0.000 1.031 304 S CA 1.361 59.679 58.200 0.197 0.000 0.993 304 S CB -0.813 62.453 63.200 0.111 0.000 0.859 304 S HN 0.538 nan 8.310 nan 0.000 0.453 305 C N 1.128 120.509 119.300 0.136 0.000 2.411 305 C HA 0.007 4.466 4.460 -0.001 0.000 0.279 305 C C 2.497 177.534 174.990 0.078 0.000 1.288 305 C CA 0.487 59.597 59.018 0.154 0.000 1.764 305 C CB -1.283 26.522 27.740 0.108 0.000 1.974 305 C HN 0.500 nan 8.230 nan 0.000 0.498 306 L N 0.175 121.387 121.223 -0.017 0.000 2.072 306 L HA -0.064 4.275 4.340 -0.001 0.000 0.205 306 L C 2.307 179.256 176.870 0.131 0.000 1.079 306 L CA 1.811 56.644 54.840 -0.011 0.000 0.752 306 L CB -1.302 40.723 42.059 -0.057 0.000 0.906 306 L HN 0.542 nan 8.230 nan 0.000 0.436 307 Y N 0.224 120.553 120.300 0.048 0.000 2.193 307 Y HA -0.223 4.326 4.550 -0.001 0.000 0.285 307 Y C 2.246 178.126 175.900 -0.032 0.000 1.166 307 Y CA 1.669 59.743 58.100 -0.043 0.000 1.181 307 Y CB -0.202 38.084 38.460 -0.290 0.000 0.976 307 Y HN 0.093 nan 8.280 nan 0.000 0.520 308 R N -0.121 120.278 120.500 -0.169 0.000 2.307 308 R HA 0.055 4.394 4.340 -0.001 0.000 0.199 308 R C 1.658 177.915 176.300 -0.072 0.000 1.000 308 R CA 0.901 56.861 56.100 -0.233 0.000 1.023 308 R CB -0.189 30.134 30.300 0.038 0.000 0.908 308 R HN 0.308 nan 8.270 nan 0.000 0.473 309 S N 0.483 116.169 115.700 -0.024 0.000 2.575 309 S HA 0.205 4.675 4.470 -0.001 0.000 0.215 309 S C 1.090 175.668 174.600 -0.037 0.000 0.966 309 S CA 0.126 58.346 58.200 0.033 0.000 0.911 309 S CB 0.331 63.572 63.200 0.069 0.000 0.780 309 S HN 0.172 nan 8.310 nan 0.000 0.514 310 L N 0.926 122.012 121.223 -0.228 0.000 3.218 310 L HA 0.435 4.774 4.340 -0.001 0.000 0.279 310 L C 0.554 176.826 176.870 -0.996 0.000 1.287 310 L CA 0.132 54.552 54.840 -0.699 0.000 1.024 310 L CB 0.165 41.760 42.059 -0.774 0.000 1.409 310 L HN 0.207 nan 8.230 nan 0.000 0.580 311 L N -1.405 119.538 121.223 -0.467 0.000 2.586 311 L HA 0.356 4.695 4.340 -0.001 0.000 0.204 311 L C -0.076 176.692 176.870 -0.171 0.000 1.053 311 L CA 0.342 54.939 54.840 -0.406 0.000 0.856 311 L CB 0.498 42.203 42.059 -0.589 0.000 1.192 311 L HN 0.047 nan 8.230 nan 0.000 0.484 312 F N 0.714 120.837 119.950 0.289 0.000 2.522 312 F HA 0.482 5.008 4.527 -0.001 0.000 0.324 312 F C -2.172 173.824 175.800 0.326 0.000 1.077 312 F CA -2.538 55.672 58.000 0.351 0.000 0.944 312 F CB 0.920 40.075 39.000 0.259 0.000 1.175 312 F HN -0.246 nan 8.300 nan 0.000 0.468 313 P HA 0.184 nan 4.420 nan 0.000 0.274 313 P C -1.042 176.681 177.300 0.704 0.000 1.231 313 P CA -0.583 62.898 63.100 0.635 0.000 0.790 313 P CB 0.885 32.930 31.700 0.575 0.000 0.951 314 R N 1.055 121.898 120.500 0.571 0.000 2.531 314 R HA 0.360 4.700 4.340 -0.001 0.000 0.273 314 R C -0.144 176.320 176.300 0.274 0.000 1.070 314 R CA -0.786 55.562 56.100 0.414 0.000 1.112 314 R CB 0.543 30.959 30.300 0.192 0.000 1.049 314 R HN 0.275 nan 8.270 nan 0.000 0.508 315 K N 1.444 121.840 120.400 -0.006 0.000 2.489 315 K HA -0.050 4.269 4.320 -0.001 0.000 0.278 315 K C -0.470 176.029 176.600 -0.168 0.000 1.000 315 K CA 0.416 56.361 56.287 -0.571 0.000 1.012 315 K CB 0.301 32.458 32.500 -0.572 0.000 0.903 315 K HN 0.538 nan 8.250 nan 0.000 0.485 316 F N 3.064 122.803 119.950 -0.351 0.000 2.772 316 F HA 0.144 4.671 4.527 -0.001 0.000 0.316 316 F C -0.635 175.218 175.800 0.089 0.000 1.114 316 F CA -0.705 57.253 58.000 -0.071 0.000 1.191 316 F CB 0.505 39.473 39.000 -0.054 0.000 1.065 316 F HN 0.502 nan 8.300 nan 0.000 0.534 317 Y N -0.561 119.787 120.300 0.080 0.000 2.534 317 Y HA 0.815 5.364 4.550 -0.001 0.000 0.329 317 Y C -0.413 175.559 175.900 0.120 0.000 1.154 317 Y CA -1.288 56.904 58.100 0.154 0.000 1.192 317 Y CB 0.625 39.207 38.460 0.202 0.000 1.275 317 Y HN 0.021 nan 8.280 nan 0.000 0.491 318 E N 0.873 121.268 120.200 0.325 0.000 2.423 318 E HA 0.522 4.871 4.350 -0.001 0.000 0.269 318 E C -1.849 174.915 176.600 0.273 0.000 0.948 318 E CA -1.214 55.313 56.400 0.211 0.000 0.802 318 E CB 2.107 31.890 29.700 0.139 0.000 1.339 318 E HN 0.387 nan 8.360 nan 0.000 0.445 319 L N 2.214 123.553 121.223 0.193 0.000 2.317 319 L HA 0.286 4.625 4.340 -0.001 0.000 0.281 319 L C -0.228 176.705 176.870 0.106 0.000 1.024 319 L CA -0.433 54.505 54.840 0.163 0.000 0.810 319 L CB 0.904 43.059 42.059 0.159 0.000 1.240 319 L HN 0.560 nan 8.230 nan 0.000 0.427 320 D N 1.713 122.161 120.400 0.081 0.000 2.478 320 D HA 0.297 4.936 4.640 -0.001 0.000 0.269 320 D C 1.019 177.350 176.300 0.051 0.000 1.232 320 D CA -0.102 53.931 54.000 0.056 0.000 1.059 320 D CB 0.435 41.258 40.800 0.039 0.000 1.104 320 D HN 0.469 nan 8.370 nan 0.000 0.566 321 A N -0.340 122.504 122.820 0.040 0.000 2.131 321 A HA -0.220 4.100 4.320 -0.001 0.000 0.220 321 A C 1.703 179.308 177.584 0.036 0.000 1.158 321 A CA 1.232 53.291 52.037 0.036 0.000 0.665 321 A CB -0.793 18.224 19.000 0.029 0.000 0.795 321 A HN 0.533 nan 8.150 nan 0.000 0.460 322 N N -0.994 117.726 118.700 0.034 0.000 2.376 322 N HA 0.057 4.797 4.740 -0.001 0.000 0.177 322 N C 1.247 176.782 175.510 0.041 0.000 1.024 322 N CA 1.275 54.344 53.050 0.032 0.000 0.893 322 N CB 0.021 38.522 38.487 0.023 0.000 0.980 322 N HN 0.677 nan 8.380 nan 0.000 0.439 323 G N 0.447 109.278 108.800 0.052 0.000 2.131 323 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.201 323 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.201 323 G C -0.356 174.583 174.900 0.065 0.000 1.000 323 G CA -0.364 44.778 45.100 0.069 0.000 0.680 323 G HN 0.161 nan 8.290 nan 0.000 0.514 324 Q N 0.543 120.369 119.800 0.042 0.000 2.256 324 Q HA 0.438 4.777 4.340 -0.001 0.000 0.257 324 Q C -2.424 173.574 176.000 -0.004 0.000 0.936 324 Q CA -2.009 53.795 55.803 0.001 0.000 0.903 324 Q CB 2.246 30.975 28.738 -0.014 0.000 1.263 324 Q HN 0.298 nan 8.270 nan 0.000 0.440 325 P HA 0.151 nan 4.420 nan 0.000 0.267 325 P C -0.455 176.823 177.300 -0.038 0.000 1.205 325 P CA 0.215 63.240 63.100 -0.124 0.000 0.765 325 P CB 0.324 31.612 31.700 -0.687 0.000 0.828 326 I N 0.610 121.248 120.570 0.114 0.000 2.969 326 I HA 0.663 4.833 4.170 -0.001 0.000 0.307 326 I C -0.670 175.591 176.117 0.241 0.000 1.149 326 I CA -1.042 60.315 61.300 0.094 0.000 1.008 326 I CB 2.779 40.805 38.000 0.045 0.000 1.232 326 I HN 0.414 nan 8.210 nan 0.000 0.435 327 H N 2.029 121.205 119.070 0.176 0.000 2.974 327 H HA 0.338 4.894 4.556 -0.001 0.000 0.366 327 H C -2.174 173.303 175.328 0.248 0.000 1.155 327 H CA -0.786 55.404 56.048 0.236 0.000 1.186 327 H CB 1.431 31.378 29.762 0.307 0.000 1.799 327 H HN 0.822 nan 8.280 nan 0.000 0.541 328 Y N 2.400 122.858 120.300 0.264 0.000 2.411 328 Y HA 0.197 4.746 4.550 -0.001 0.000 0.333 328 Y C 0.112 176.299 175.900 0.478 0.000 1.186 328 Y CA 0.226 58.485 58.100 0.265 0.000 1.381 328 Y CB 1.046 39.650 38.460 0.240 0.000 1.273 328 Y HN 0.649 nan 8.280 nan 0.000 0.546 329 S N 7.917 123.451 115.700 -0.276 0.000 2.410 329 S HA 0.335 4.805 4.470 -0.001 0.000 0.304 329 S C -1.827 172.440 174.600 -0.555 0.000 1.095 329 S CA -1.696 56.429 58.200 -0.125 0.000 1.089 329 S CB 0.699 63.912 63.200 0.021 0.000 0.968 329 S HN 0.667 nan 8.310 nan 0.000 0.480 330 P HA 0.033 nan 4.420 nan 0.000 0.242 330 P C 0.030 176.915 177.300 -0.691 0.000 1.197 330 P CA 0.510 63.269 63.100 -0.569 0.000 0.765 330 P CB -0.108 31.086 31.700 -0.843 0.000 0.936 331 Y N 1.278 121.435 120.300 -0.239 0.000 2.464 331 Y HA 0.062 4.612 4.550 -0.001 0.000 0.288 331 Y C 2.029 177.869 175.900 -0.099 0.000 1.133 331 Y CA 1.115 59.104 58.100 -0.184 0.000 1.223 331 Y CB -0.478 37.874 38.460 -0.180 0.000 1.187 331 Y HN 0.098 nan 8.280 nan 0.000 0.539 332 N N -1.574 117.145 118.700 0.031 0.000 2.143 332 N HA 0.202 4.942 4.740 -0.001 0.000 0.222 332 N C 1.175 176.668 175.510 -0.030 0.000 1.264 332 N CA 0.625 53.684 53.050 0.015 0.000 0.897 332 N CB 0.778 39.285 38.487 0.032 0.000 1.092 332 N HN 0.222 nan 8.380 nan 0.000 0.516 333 G N -0.083 108.632 108.800 -0.143 0.000 2.143 333 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.249 333 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.249 333 G C -0.423 174.464 174.900 -0.022 0.000 0.981 333 G CA 0.448 45.481 45.100 -0.112 0.000 0.665 333 G HN 0.526 nan 8.290 nan 0.000 0.528 334 Q N -0.895 118.867 119.800 -0.065 0.000 2.204 334 Q HA 0.662 5.001 4.340 -0.001 0.000 0.254 334 Q C -0.123 175.881 176.000 0.006 0.000 0.981 334 Q CA -0.934 54.874 55.803 0.008 0.000 0.897 334 Q CB 2.475 31.213 28.738 -0.001 0.000 1.273 334 Q HN 0.173 nan 8.270 nan 0.000 0.464 335 V N 2.618 122.557 119.914 0.042 0.000 2.350 335 V HA 0.417 4.536 4.120 -0.001 0.000 0.276 335 V C -0.319 175.717 176.094 -0.097 0.000 1.028 335 V CA -0.335 61.977 62.300 0.020 0.000 0.860 335 V CB 0.410 32.280 31.823 0.078 0.000 0.990 335 V HN 0.521 nan 8.190 nan 0.000 0.453 336 L N 6.700 127.748 121.223 -0.291 0.000 2.350 336 L HA 0.628 4.968 4.340 -0.001 0.000 0.260 336 L C -2.440 174.212 176.870 -0.365 0.000 1.015 336 L CA -2.001 52.650 54.840 -0.315 0.000 0.821 336 L CB 3.407 45.300 42.059 -0.277 0.000 1.370 336 L HN 0.387 nan 8.230 nan 0.000 0.416 337 P HA 0.288 nan 4.420 nan 0.000 0.274 337 P C -0.090 177.200 177.300 -0.017 0.000 1.237 337 P CA 0.334 63.383 63.100 -0.085 0.000 0.793 337 P CB 1.037 32.706 31.700 -0.053 0.000 0.977 338 G N 0.120 108.887 108.800 -0.055 0.000 2.746 338 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.685 338 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.685 338 G C -1.061 173.845 174.900 0.009 0.000 1.350 338 G CA -0.901 44.127 45.100 -0.121 0.000 0.837 338 G HN 0.322 nan 8.290 nan 0.000 0.564 339 Y N -0.902 119.432 120.300 0.056 0.000 2.459 339 Y HA 0.546 5.096 4.550 -0.001 0.000 0.349 339 Y C 1.062 177.043 175.900 0.134 0.000 1.266 339 Y CA 0.810 58.924 58.100 0.024 0.000 1.483 339 Y CB 0.825 39.347 38.460 0.104 0.000 1.362 339 Y HN 0.894 nan 8.280 nan 0.000 0.628 340 M N 2.325 122.179 119.600 0.423 0.000 2.307 340 M HA 0.450 4.930 4.480 -0.001 0.000 0.279 340 M C -2.417 174.069 176.300 0.309 0.000 1.080 340 M CA -0.752 54.677 55.300 0.214 0.000 0.964 340 M CB 0.781 33.189 32.600 -0.321 0.000 1.825 340 M HN 0.361 nan 8.290 nan 0.000 0.489 341 F N 1.151 121.258 119.950 0.261 0.000 2.618 341 F HA 0.956 5.482 4.527 -0.001 0.000 0.332 341 F C 0.473 176.355 175.800 0.138 0.000 1.061 341 F CA -0.402 57.759 58.000 0.267 0.000 0.974 341 F CB 2.456 41.623 39.000 0.278 0.000 1.310 341 F HN 0.641 nan 8.300 nan 0.000 0.491 342 T N -1.036 113.700 114.554 0.303 0.000 2.661 342 T HA 0.343 4.692 4.350 -0.001 0.000 0.305 342 T C -2.114 172.731 174.700 0.243 0.000 1.441 342 T CA -0.525 61.644 62.100 0.116 0.000 0.999 342 T CB 0.924 69.609 68.868 -0.305 0.000 1.650 342 T HN 0.618 nan 8.240 nan 0.000 0.489 343 D N 0.750 121.264 120.400 0.190 0.000 2.786 343 D HA -0.086 4.553 4.640 -0.001 0.000 0.243 343 D C -0.598 175.823 176.300 0.202 0.000 1.084 343 D CA 1.426 55.611 54.000 0.309 0.000 0.731 343 D CB -1.376 39.700 40.800 0.461 0.000 1.079 343 D HN 0.619 nan 8.370 nan 0.000 0.435 344 T N -0.997 113.531 114.554 -0.043 0.000 2.982 344 T HA 0.586 4.935 4.350 -0.001 0.000 0.321 344 T C -0.304 173.703 174.700 -1.155 0.000 1.229 344 T CA 0.050 61.924 62.100 -0.376 0.000 1.044 344 T CB 1.632 70.550 68.868 0.083 0.000 1.184 344 T HN 0.179 nan 8.240 nan 0.000 0.477 345 G N 2.653 110.341 108.800 -1.854 0.000 2.335 345 G HA2 0.529 4.489 3.960 -0.001 0.000 0.314 345 G HA3 0.529 4.489 3.960 -0.001 0.000 0.314 345 G C 0.393 174.983 174.900 -0.516 0.000 1.129 345 G CA -0.504 43.370 45.100 -2.043 0.000 0.912 345 G HN 0.627 nan 8.290 nan 0.000 0.443 346 F N 1.049 120.858 119.950 -0.236 0.000 2.407 346 F HA 0.103 4.629 4.527 -0.001 0.000 0.299 346 F C 1.916 177.882 175.800 0.278 0.000 1.097 346 F CA -0.655 57.360 58.000 0.026 0.000 1.422 346 F CB -0.323 38.669 39.000 -0.012 0.000 1.067 346 F HN 0.766 nan 8.300 nan 0.000 0.539 347 W N 1.569 123.029 121.300 0.266 0.000 2.350 347 W HA -0.195 4.464 4.660 -0.001 0.000 0.289 347 W C 1.821 178.509 176.519 0.282 0.000 1.215 347 W CA 1.837 59.399 57.345 0.360 0.000 1.236 347 W CB -0.124 29.514 29.460 0.298 0.000 1.130 347 W HN -0.102 nan 8.180 nan 0.000 0.541 348 D N -1.190 119.405 120.400 0.324 0.000 2.154 348 D HA -0.117 4.523 4.640 -0.001 0.000 0.211 348 D C 2.139 178.417 176.300 -0.036 0.000 0.977 348 D CA 2.531 56.582 54.000 0.084 0.000 0.869 348 D CB -0.938 39.977 40.800 0.191 0.000 1.022 348 D HN 0.187 nan 8.370 nan 0.000 0.461 349 T N -0.599 114.047 114.554 0.154 0.000 3.148 349 T HA -0.009 4.340 4.350 -0.001 0.000 0.253 349 T C 1.845 176.719 174.700 0.289 0.000 1.134 349 T CA -0.131 62.117 62.100 0.246 0.000 1.051 349 T CB -0.738 68.383 68.868 0.423 0.000 0.959 349 T HN 0.219 nan 8.240 nan 0.000 0.525 350 F N 1.800 121.805 119.950 0.092 0.000 2.325 350 F HA 0.281 4.808 4.527 -0.001 0.000 0.299 350 F C 2.234 177.965 175.800 -0.115 0.000 1.090 350 F CA -0.159 57.808 58.000 -0.054 0.000 1.392 350 F CB -0.331 38.583 39.000 -0.143 0.000 1.053 350 F HN -0.057 nan 8.300 nan 0.000 0.521 351 R N 0.317 120.217 120.500 -1.001 0.000 2.073 351 R HA -0.111 4.229 4.340 -0.001 0.000 0.234 351 R C 1.901 177.928 176.300 -0.455 0.000 1.134 351 R CA 2.136 57.678 56.100 -0.930 0.000 0.952 351 R CB -0.674 29.145 30.300 -0.801 0.000 0.850 351 R HN 0.673 nan 8.270 nan 0.000 0.433 352 C N -3.457 115.714 119.300 -0.215 0.000 4.665 352 C HA 0.321 4.780 4.460 -0.001 0.000 0.452 352 C C 1.905 176.997 174.990 0.169 0.000 1.647 352 C CA -0.854 58.053 59.018 -0.184 0.000 2.146 352 C CB -0.681 26.877 27.740 -0.304 0.000 3.201 352 C HN 0.325 nan 8.230 nan 0.000 0.626 353 L N 1.277 122.611 121.223 0.184 0.000 1.976 353 L HA 0.049 4.389 4.340 -0.001 0.000 0.209 353 L C 2.311 179.284 176.870 0.172 0.000 1.071 353 L CA 2.379 57.342 54.840 0.206 0.000 0.746 353 L CB -1.128 41.033 42.059 0.169 0.000 0.890 353 L HN 0.377 nan 8.230 nan 0.000 0.432 354 F N 0.527 120.557 119.950 0.133 0.000 2.134 354 F HA -0.117 4.409 4.527 -0.001 0.000 0.299 354 F C -0.183 175.698 175.800 0.135 0.000 1.097 354 F CA 1.603 59.667 58.000 0.106 0.000 1.264 354 F CB -1.885 37.124 39.000 0.015 0.000 1.001 354 F HN 0.195 nan 8.300 nan 0.000 0.479 355 P HA -0.222 nan 4.420 nan 0.000 0.217 355 P C 1.867 179.474 177.300 0.511 0.000 1.151 355 P CA 1.221 64.485 63.100 0.274 0.000 0.849 355 P CB -0.075 31.656 31.700 0.051 0.000 0.787 356 L N -1.121 120.450 121.223 0.581 0.000 2.131 356 L HA -0.127 4.212 4.340 -0.001 0.000 0.210 356 L C 2.020 179.120 176.870 0.383 0.000 1.092 356 L CA 1.725 56.828 54.840 0.438 0.000 0.759 356 L CB -1.251 40.968 42.059 0.267 0.000 0.903 356 L HN -0.080 nan 8.230 nan 0.000 0.435 357 L N -0.862 120.566 121.223 0.343 0.000 2.156 357 L HA -0.109 4.231 4.340 -0.001 0.000 0.208 357 L C 2.080 179.133 176.870 0.305 0.000 1.095 357 L CA 0.638 55.679 54.840 0.335 0.000 0.770 357 L CB -0.715 41.416 42.059 0.120 0.000 0.914 357 L HN 0.303 nan 8.230 nan 0.000 0.439 358 N N 0.079 118.961 118.700 0.302 0.000 2.331 358 N HA -0.117 4.622 4.740 -0.001 0.000 0.180 358 N C 1.728 177.514 175.510 0.460 0.000 1.019 358 N CA 0.912 54.132 53.050 0.284 0.000 0.881 358 N CB -0.013 38.573 38.487 0.165 0.000 0.972 358 N HN 0.169 nan 8.380 nan 0.000 0.435 359 L N 0.047 121.582 121.223 0.519 0.000 2.084 359 L HA 0.141 4.480 4.340 -0.001 0.000 0.202 359 L C 1.664 178.821 176.870 0.479 0.000 1.074 359 L CA 1.453 56.654 54.840 0.603 0.000 0.757 359 L CB -0.124 42.243 42.059 0.514 0.000 0.918 359 L HN 0.006 nan 8.230 nan 0.000 0.444 360 M N -2.399 117.298 119.600 0.162 0.000 2.421 360 M HA 0.167 4.646 4.480 -0.001 0.000 0.258 360 M C 0.056 175.982 176.300 -0.622 0.000 1.122 360 M CA 0.558 55.672 55.300 -0.310 0.000 1.078 360 M CB -0.041 32.152 32.600 -0.678 0.000 1.380 360 M HN 0.141 nan 8.290 nan 0.000 0.499 361 Y N -0.285 120.128 120.300 0.188 0.000 2.629 361 Y HA 0.298 4.847 4.550 -0.001 0.000 0.282 361 Y C -1.577 174.357 175.900 0.056 0.000 0.994 361 Y CA -1.973 56.196 58.100 0.114 0.000 1.126 361 Y CB -0.580 37.955 38.460 0.124 0.000 1.187 361 Y HN 0.055 nan 8.280 nan 0.000 0.600 362 P HA -0.269 nan 4.420 nan 0.000 0.215 362 P C 1.736 179.070 177.300 0.057 0.000 1.163 362 P CA 2.517 65.705 63.100 0.147 0.000 0.894 362 P CB 0.035 31.858 31.700 0.205 0.000 0.791 363 S N -1.102 114.628 115.700 0.051 0.000 2.440 363 S HA -0.100 4.370 4.470 -0.001 0.000 0.238 363 S C 2.027 176.578 174.600 -0.082 0.000 1.010 363 S CA 1.393 59.593 58.200 0.001 0.000 0.972 363 S CB -1.689 61.528 63.200 0.029 0.000 0.774 363 S HN 0.000 nan 8.310 nan 0.000 0.501 364 V N 2.537 122.375 119.914 -0.126 0.000 2.346 364 V HA -0.068 4.051 4.120 -0.001 0.000 0.244 364 V C 2.756 178.614 176.094 -0.394 0.000 1.037 364 V CA 1.771 63.868 62.300 -0.338 0.000 1.029 364 V CB -1.109 30.325 31.823 -0.648 0.000 0.663 364 V HN 0.482 nan 8.190 nan 0.000 0.454 365 N N 0.811 119.357 118.700 -0.256 0.000 2.149 365 N HA -0.218 4.521 4.740 -0.001 0.000 0.188 365 N C 1.739 177.143 175.510 -0.177 0.000 1.019 365 N CA 1.619 54.552 53.050 -0.195 0.000 0.857 365 N CB -0.294 38.182 38.487 -0.017 0.000 0.997 365 N HN 0.385 nan 8.380 nan 0.000 0.426 366 K N 1.335 121.655 120.400 -0.133 0.000 2.077 366 K HA -0.172 4.147 4.320 -0.001 0.000 0.213 366 K C 1.648 178.137 176.600 -0.184 0.000 1.051 366 K CA 1.783 58.003 56.287 -0.111 0.000 0.929 366 K CB -0.367 32.089 32.500 -0.074 0.000 0.715 366 K HN 0.367 nan 8.250 nan 0.000 0.451 367 E N -0.359 119.633 120.200 -0.346 0.000 2.077 367 E HA -0.201 4.148 4.350 -0.001 0.000 0.193 367 E C 2.150 178.566 176.600 -0.306 0.000 0.989 367 E CA 1.717 57.781 56.400 -0.560 0.000 0.800 367 E CB -0.191 29.162 29.700 -0.579 0.000 0.746 367 E HN 0.429 nan 8.360 nan 0.000 0.452 368 M N 0.452 119.715 119.600 -0.560 0.000 2.099 368 M HA -0.158 4.321 4.480 -0.001 0.000 0.262 368 M C 2.300 178.551 176.300 -0.082 0.000 1.067 368 M CA 1.127 56.081 55.300 -0.577 0.000 1.124 368 M CB -0.084 32.168 32.600 -0.580 0.000 1.353 368 M HN -0.051 nan 8.290 nan 0.000 0.410 369 Q N 0.569 120.330 119.800 -0.065 0.000 2.135 369 Q HA -0.149 4.191 4.340 -0.001 0.000 0.204 369 Q C 1.859 177.911 176.000 0.088 0.000 0.981 369 Q CA 1.318 57.119 55.803 -0.003 0.000 0.856 369 Q CB -0.519 28.202 28.738 -0.029 0.000 0.902 369 Q HN 0.540 nan 8.270 nan 0.000 0.425 370 E N -0.325 119.941 120.200 0.110 0.000 2.204 370 E HA -0.085 4.265 4.350 -0.001 0.000 0.194 370 E C 1.960 178.718 176.600 0.264 0.000 0.989 370 E CA 1.007 57.529 56.400 0.203 0.000 0.824 370 E CB -0.175 29.694 29.700 0.282 0.000 0.756 370 E HN 0.465 nan 8.360 nan 0.000 0.477 371 G N 1.271 110.249 108.800 0.297 0.000 2.408 371 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.217 371 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.217 371 G C 1.734 176.796 174.900 0.269 0.000 1.150 371 G CA 0.206 45.511 45.100 0.342 0.000 0.776 371 G HN 0.127 nan 8.290 nan 0.000 0.542 372 L N 0.488 121.878 121.223 0.278 0.000 2.056 372 L HA -0.062 4.277 4.340 -0.001 0.000 0.207 372 L C 2.803 179.932 176.870 0.432 0.000 1.078 372 L CA 0.358 55.418 54.840 0.368 0.000 0.749 372 L CB -0.467 41.783 42.059 0.319 0.000 0.901 372 L HN 0.080 nan 8.230 nan 0.000 0.433 373 I N 0.680 121.473 120.570 0.372 0.000 2.145 373 I HA -0.362 3.807 4.170 -0.001 0.000 0.244 373 I C 2.067 178.260 176.117 0.128 0.000 1.075 373 I CA 1.966 63.411 61.300 0.241 0.000 1.332 373 I CB -1.437 36.679 38.000 0.193 0.000 1.033 373 I HN 0.390 nan 8.210 nan 0.000 0.410 374 N N -0.384 118.402 118.700 0.143 0.000 2.289 374 N HA -0.131 4.609 4.740 -0.001 0.000 0.184 374 N C 1.627 177.141 175.510 0.006 0.000 1.016 374 N CA 1.552 54.666 53.050 0.108 0.000 0.872 374 N CB -0.061 38.531 38.487 0.175 0.000 0.973 374 N HN 0.364 nan 8.380 nan 0.000 0.433 375 T N -0.427 114.098 114.554 -0.049 0.000 2.812 375 T HA -0.134 4.216 4.350 -0.001 0.000 0.264 375 T C 1.472 175.972 174.700 -0.334 0.000 1.042 375 T CA 0.729 62.623 62.100 -0.343 0.000 1.140 375 T CB -0.353 68.339 68.868 -0.294 0.000 0.870 375 T HN 0.301 nan 8.240 nan 0.000 0.445 376 Y N 2.130 122.179 120.300 -0.417 0.000 2.114 376 Y HA -0.081 4.469 4.550 -0.001 0.000 0.284 376 Y C 2.007 177.680 175.900 -0.377 0.000 1.143 376 Y CA 1.196 58.950 58.100 -0.577 0.000 1.135 376 Y CB -0.603 37.196 38.460 -1.102 0.000 0.980 376 Y HN 0.087 nan 8.280 nan 0.000 0.499 377 L N -0.066 120.999 121.223 -0.264 0.000 2.079 377 L HA -0.232 4.108 4.340 -0.001 0.000 0.210 377 L C 2.048 178.784 176.870 -0.222 0.000 1.081 377 L CA 1.981 56.673 54.840 -0.248 0.000 0.752 377 L CB -0.583 41.439 42.059 -0.061 0.000 0.896 377 L HN 0.330 nan 8.230 nan 0.000 0.433 378 E N -0.894 119.212 120.200 -0.156 0.000 2.442 378 E HA -0.061 4.289 4.350 -0.001 0.000 0.195 378 E C 1.727 178.285 176.600 -0.069 0.000 1.030 378 E CA 0.910 57.268 56.400 -0.070 0.000 0.869 378 E CB 0.296 30.019 29.700 0.038 0.000 0.857 378 E HN 0.472 nan 8.360 nan 0.000 0.505 379 S N -2.224 113.385 115.700 -0.153 0.000 2.744 379 S HA 0.307 4.777 4.470 -0.001 0.000 0.265 379 S C 1.483 176.087 174.600 0.006 0.000 1.065 379 S CA 0.299 58.503 58.200 0.008 0.000 1.191 379 S CB 0.995 64.244 63.200 0.081 0.000 1.150 379 S HN 0.268 nan 8.310 nan 0.000 0.646 380 G N 0.663 109.234 108.800 -0.383 0.000 2.253 380 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.251 380 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.251 380 G C -0.148 174.129 174.900 -1.039 0.000 0.998 380 G CA 0.405 45.049 45.100 -0.761 0.000 0.621 380 G HN 0.552 nan 8.290 nan 0.000 0.524 381 F N -0.433 119.354 119.950 -0.271 0.000 2.577 381 F HA 0.793 5.319 4.527 -0.001 0.000 0.318 381 F C 0.228 176.064 175.800 0.060 0.000 1.065 381 F CA -1.554 56.437 58.000 -0.015 0.000 0.929 381 F CB 1.066 40.088 39.000 0.036 0.000 1.237 381 F HN -0.063 nan 8.300 nan 0.000 0.468 382 F N 3.011 123.194 119.950 0.388 0.000 2.450 382 F HA 0.371 4.897 4.527 -0.001 0.000 0.339 382 F C -1.850 174.127 175.800 0.296 0.000 1.146 382 F CA -1.883 56.275 58.000 0.264 0.000 1.267 382 F CB 0.131 39.216 39.000 0.142 0.000 1.178 382 F HN 0.135 nan 8.300 nan 0.000 0.585 383 P HA 0.241 nan 4.420 nan 0.000 0.281 383 P C -0.497 176.955 177.300 0.253 0.000 1.264 383 P CA -0.270 63.060 63.100 0.383 0.000 0.824 383 P CB 1.753 33.597 31.700 0.240 0.000 1.092 384 E N -0.050 120.226 120.200 0.125 0.000 2.280 384 E HA 0.102 4.452 4.350 -0.001 0.000 0.197 384 E C -0.267 176.231 176.600 -0.170 0.000 0.913 384 E CA 0.840 57.287 56.400 0.077 0.000 0.995 384 E CB -0.046 29.774 29.700 0.201 0.000 0.991 384 E HN 0.487 nan 8.360 nan 0.000 0.484 385 W N 0.546 121.804 121.300 -0.070 0.000 2.532 385 W HA 0.586 5.245 4.660 -0.001 0.000 0.321 385 W C -0.977 175.500 176.519 -0.071 0.000 1.037 385 W CA -0.438 56.854 57.345 -0.088 0.000 1.220 385 W CB 1.719 31.161 29.460 -0.031 0.000 1.361 385 W HN -0.029 nan 8.180 nan 0.000 0.468 386 A N 3.130 126.133 122.820 0.305 0.000 2.357 386 A HA 0.647 4.967 4.320 -0.001 0.000 0.295 386 A C -0.851 176.812 177.584 0.130 0.000 1.121 386 A CA -0.490 51.626 52.037 0.131 0.000 0.742 386 A CB 1.714 20.737 19.000 0.038 0.000 1.181 386 A HN 0.311 nan 8.150 nan 0.000 0.454 387 S N 4.144 119.818 115.700 -0.044 0.000 2.592 387 S HA 0.433 4.903 4.470 -0.001 0.000 0.151 387 S C -2.326 171.995 174.600 -0.465 0.000 1.280 387 S CA -0.523 57.616 58.200 -0.103 0.000 1.187 387 S CB 0.943 64.207 63.200 0.108 0.000 1.471 387 S HN 0.508 nan 8.310 nan 0.000 0.409 388 P HA 0.212 nan 4.420 nan 0.000 0.222 388 P C 1.016 177.813 177.300 -0.838 0.000 1.157 388 P CA 0.513 63.067 63.100 -0.910 0.000 0.816 388 P CB 0.012 30.950 31.700 -1.271 0.000 0.813 389 G N -0.381 107.939 108.800 -0.800 0.000 2.532 389 G HA2 0.192 4.152 3.960 -0.001 0.000 0.291 389 G HA3 0.192 4.152 3.960 -0.001 0.000 0.291 389 G C -0.458 174.198 174.900 -0.407 0.000 1.349 389 G CA -0.382 44.167 45.100 -0.917 0.000 1.038 389 G HN 0.104 nan 8.290 nan 0.000 0.518 390 H N 0.467 119.487 119.070 -0.083 0.000 3.064 390 H HA 0.175 4.731 4.556 -0.001 0.000 0.329 390 H C 0.330 175.579 175.328 -0.131 0.000 1.020 390 H CA 0.581 56.596 56.048 -0.055 0.000 1.402 390 H CB 0.469 30.121 29.762 -0.183 0.000 1.379 390 H HN 0.149 nan 8.280 nan 0.000 0.594 391 R N 1.052 121.587 120.500 0.058 0.000 2.673 391 R HA 0.275 4.614 4.340 -0.001 0.000 0.281 391 R C 0.164 176.440 176.300 -0.040 0.000 0.991 391 R CA -0.904 55.173 56.100 -0.038 0.000 0.896 391 R CB 2.060 32.308 30.300 -0.086 0.000 1.201 391 R HN 0.820 nan 8.270 nan 0.000 0.457 392 G N 0.898 109.648 108.800 -0.084 0.000 2.605 392 G HA2 0.330 4.289 3.960 -0.001 0.000 0.301 392 G HA3 0.330 4.289 3.960 -0.001 0.000 0.301 392 G C -0.416 174.417 174.900 -0.111 0.000 0.881 392 G CA -0.004 45.051 45.100 -0.073 0.000 1.553 392 G HN 0.452 nan 8.290 nan 0.000 0.483 393 C N 5.014 124.264 119.300 -0.084 0.000 3.046 393 C HA 0.653 5.113 4.460 -0.001 0.000 0.388 393 C C -0.175 174.828 174.990 0.022 0.000 1.041 393 C CA -0.563 58.362 59.018 -0.155 0.000 1.241 393 C CB 0.489 27.910 27.740 -0.532 0.000 1.638 393 C HN 0.964 nan 8.230 nan 0.000 0.539 394 M N 2.985 122.526 119.600 -0.098 0.000 7.319 394 M HA -0.130 4.349 4.480 -0.001 0.000 0.129 394 M C -0.092 176.149 176.300 -0.098 0.000 0.480 394 M CA 1.744 56.903 55.300 -0.235 0.000 1.311 394 M CB -2.098 30.335 32.600 -0.278 0.000 0.421 394 M HN 1.724 nan 8.290 nan 0.000 0.500 395 V N -2.907 116.954 119.914 -0.088 0.000 3.165 395 V HA 1.058 5.177 4.120 -0.001 0.000 0.309 395 V C 0.231 176.523 176.094 0.329 0.000 1.267 395 V CA 0.640 63.005 62.300 0.108 0.000 1.067 395 V CB 1.321 33.177 31.823 0.055 0.000 1.082 395 V HN 2.696 nan 8.190 nan 0.000 0.451 396 G N 0.727 109.696 108.800 0.281 0.000 2.663 396 G HA2 -0.134 3.826 3.960 -0.001 0.000 0.686 396 G HA3 -0.134 3.826 3.960 -0.001 0.000 0.686 396 G C -0.427 174.700 174.900 0.378 0.000 1.288 396 G CA 0.095 45.401 45.100 0.344 0.000 0.836 396 G HN 1.686 nan 8.290 nan 0.000 0.584 397 N N -0.432 118.461 118.700 0.321 0.000 2.480 397 N HA 0.132 4.871 4.740 -0.001 0.000 0.281 397 N C 1.137 176.661 175.510 0.024 0.000 1.381 397 N CA 0.088 53.235 53.050 0.162 0.000 0.903 397 N CB -0.074 38.444 38.487 0.052 0.000 1.274 397 N HN 0.500 nan 8.380 nan 0.000 0.505 398 N N -0.490 118.226 118.700 0.026 0.000 2.573 398 N HA -0.118 4.621 4.740 -0.001 0.000 0.187 398 N C 1.761 177.116 175.510 -0.259 0.000 1.107 398 N CA 0.627 53.553 53.050 -0.207 0.000 0.918 398 N CB 0.255 38.560 38.487 -0.303 0.000 0.966 398 N HN 0.304 nan 8.380 nan 0.000 0.448 399 S N 0.625 116.252 115.700 -0.122 0.000 2.387 399 S HA -0.219 4.250 4.470 -0.001 0.000 0.230 399 S C 2.185 176.474 174.600 -0.518 0.000 1.035 399 S CA 0.972 58.951 58.200 -0.369 0.000 1.014 399 S CB -0.538 62.633 63.200 -0.048 0.000 0.836 399 S HN 0.379 nan 8.310 nan 0.000 0.466 400 A N 1.633 124.217 122.820 -0.393 0.000 1.948 400 A HA -0.107 4.213 4.320 -0.001 0.000 0.220 400 A C 2.458 179.777 177.584 -0.443 0.000 1.177 400 A CA 2.111 53.891 52.037 -0.429 0.000 0.636 400 A CB -1.380 17.399 19.000 -0.369 0.000 0.815 400 A HN 0.598 nan 8.150 nan 0.000 0.449 401 S N -0.582 114.859 115.700 -0.431 0.000 2.355 401 S HA -0.103 4.366 4.470 -0.001 0.000 0.222 401 S C 1.927 176.342 174.600 -0.308 0.000 1.031 401 S CA 1.362 59.357 58.200 -0.341 0.000 0.993 401 S CB -0.488 62.557 63.200 -0.258 0.000 0.859 401 S HN 0.492 nan 8.310 nan 0.000 0.453 402 I N 1.112 121.406 120.570 -0.459 0.000 2.142 402 I HA -0.183 3.986 4.170 -0.001 0.000 0.240 402 I C 2.282 178.111 176.117 -0.481 0.000 1.078 402 I CA 1.169 62.125 61.300 -0.573 0.000 1.343 402 I CB -0.399 36.917 38.000 -1.140 0.000 1.046 402 I HN 0.307 nan 8.210 nan 0.000 0.405 403 L N -0.124 120.775 121.223 -0.539 0.000 2.012 403 L HA -0.214 4.126 4.340 -0.001 0.000 0.210 403 L C 2.520 179.215 176.870 -0.291 0.000 1.073 403 L CA 1.184 55.755 54.840 -0.448 0.000 0.748 403 L CB -0.623 41.074 42.059 -0.604 0.000 0.891 403 L HN 0.077 nan 8.230 nan 0.000 0.431 404 V N -0.474 119.257 119.914 -0.306 0.000 2.453 404 V HA -0.266 3.853 4.120 -0.001 0.000 0.247 404 V C 2.129 178.125 176.094 -0.164 0.000 1.048 404 V CA 1.888 64.039 62.300 -0.248 0.000 1.049 404 V CB -0.424 31.203 31.823 -0.326 0.000 0.672 404 V HN 0.454 nan 8.190 nan 0.000 0.457 405 D N 0.462 120.764 120.400 -0.163 0.000 2.104 405 D HA -0.167 4.473 4.640 -0.001 0.000 0.194 405 D C 2.152 178.382 176.300 -0.116 0.000 0.994 405 D CA 1.679 55.606 54.000 -0.121 0.000 0.830 405 D CB -0.158 40.587 40.800 -0.092 0.000 0.959 405 D HN 0.350 nan 8.370 nan 0.000 0.452 406 A N -0.572 122.187 122.820 -0.101 0.000 1.851 406 A HA -0.218 4.102 4.320 -0.001 0.000 0.216 406 A C 2.302 179.846 177.584 -0.067 0.000 1.195 406 A CA 1.801 53.796 52.037 -0.071 0.000 0.622 406 A CB -1.526 17.434 19.000 -0.067 0.000 0.831 406 A HN 0.494 nan 8.150 nan 0.000 0.444 407 Y N -0.158 120.047 120.300 -0.158 0.000 2.053 407 Y HA -0.270 4.280 4.550 -0.001 0.000 0.277 407 Y C 2.366 178.173 175.900 -0.155 0.000 1.159 407 Y CA 2.435 60.448 58.100 -0.145 0.000 1.125 407 Y CB -0.224 38.140 38.460 -0.160 0.000 0.969 407 Y HN 0.233 nan 8.280 nan 0.000 0.492 408 M N 0.227 119.855 119.600 0.046 0.000 2.623 408 M HA -0.173 4.307 4.480 -0.001 0.000 0.258 408 M C 1.104 177.295 176.300 -0.181 0.000 1.067 408 M CA 1.539 56.805 55.300 -0.057 0.000 1.068 408 M CB -0.850 31.685 32.600 -0.109 0.000 1.409 408 M HN 0.284 nan 8.290 nan 0.000 0.504 409 K N -1.011 119.246 120.400 -0.238 0.000 2.387 409 K HA 0.344 4.664 4.320 -0.001 0.000 0.203 409 K C 0.845 177.311 176.600 -0.224 0.000 1.030 409 K CA 0.373 56.438 56.287 -0.369 0.000 1.099 409 K CB 0.640 32.790 32.500 -0.583 0.000 0.863 409 K HN 0.393 nan 8.250 nan 0.000 0.529 410 G N 1.051 109.719 108.800 -0.220 0.000 2.131 410 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.223 410 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.223 410 G C -0.070 174.734 174.900 -0.161 0.000 0.990 410 G CA -0.210 44.772 45.100 -0.198 0.000 0.671 410 G HN 0.093 nan 8.290 nan 0.000 0.521 411 V N 1.609 121.429 119.914 -0.157 0.000 2.247 411 V HA 0.388 4.508 4.120 -0.001 0.000 0.262 411 V C 0.380 176.399 176.094 -0.124 0.000 1.096 411 V CA -0.424 61.819 62.300 -0.094 0.000 0.895 411 V CB 0.687 32.488 31.823 -0.036 0.000 1.141 411 V HN 0.323 nan 8.190 nan 0.000 0.478 412 K N 3.623 123.932 120.400 -0.151 0.000 2.265 412 K HA 0.585 4.904 4.320 -0.001 0.000 0.267 412 K C -0.058 176.539 176.600 -0.005 0.000 0.994 412 K CA -0.648 55.553 56.287 -0.144 0.000 0.860 412 K CB 2.414 34.731 32.500 -0.305 0.000 1.099 412 K HN 0.505 nan 8.250 nan 0.000 0.448 413 V N -0.459 119.498 119.914 0.070 0.000 3.319 413 V HA 0.026 4.145 4.120 -0.001 0.000 0.303 413 V C 0.699 176.846 176.094 0.087 0.000 1.094 413 V CA -0.013 62.337 62.300 0.083 0.000 1.106 413 V CB 0.718 32.602 31.823 0.102 0.000 1.099 413 V HN 0.646 nan 8.190 nan 0.000 0.476 414 D N 0.121 120.570 120.400 0.083 0.000 2.103 414 D HA -0.042 4.597 4.640 -0.001 0.000 0.199 414 D C 0.759 177.101 176.300 0.070 0.000 0.978 414 D CA 1.686 55.728 54.000 0.070 0.000 0.829 414 D CB -0.084 40.756 40.800 0.066 0.000 0.981 414 D HN 0.834 nan 8.370 nan 0.000 0.464 415 D N 0.319 120.764 120.400 0.074 0.000 2.500 415 D HA 0.128 4.767 4.640 -0.001 0.000 0.219 415 D C 1.078 177.416 176.300 0.064 0.000 1.137 415 D CA -0.222 53.816 54.000 0.063 0.000 0.946 415 D CB 0.165 41.001 40.800 0.060 0.000 1.022 415 D HN 0.074 nan 8.370 nan 0.000 0.518 416 I N 2.375 122.981 120.570 0.060 0.000 2.928 416 I HA -0.140 4.029 4.170 -0.001 0.000 0.266 416 I C 2.312 178.429 176.117 0.001 0.000 1.234 416 I CA 0.356 61.675 61.300 0.031 0.000 1.483 416 I CB 0.024 38.046 38.000 0.037 0.000 1.097 416 I HN 0.167 nan 8.210 nan 0.000 0.455 417 K N 1.493 121.900 120.400 0.012 0.000 1.973 417 K HA -0.163 4.157 4.320 -0.001 0.000 0.212 417 K C 2.011 178.628 176.600 0.029 0.000 1.047 417 K CA 2.231 58.527 56.287 0.016 0.000 0.937 417 K CB -0.421 32.088 32.500 0.015 0.000 0.721 417 K HN 0.129 nan 8.250 nan 0.000 0.440 418 T N 1.860 116.425 114.554 0.018 0.000 2.788 418 T HA -0.139 4.211 4.350 -0.001 0.000 0.268 418 T C 1.604 176.241 174.700 -0.106 0.000 1.044 418 T CA 1.213 63.302 62.100 -0.018 0.000 1.139 418 T CB -0.316 68.569 68.868 0.028 0.000 0.867 418 T HN 0.190 nan 8.240 nan 0.000 0.454 419 L N 0.520 121.739 121.223 -0.006 0.000 1.990 419 L HA -0.110 4.229 4.340 -0.001 0.000 0.213 419 L C 2.121 178.975 176.870 -0.028 0.000 1.072 419 L CA 1.833 56.694 54.840 0.035 0.000 0.755 419 L CB -1.159 40.907 42.059 0.013 0.000 0.889 419 L HN 0.274 nan 8.230 nan 0.000 0.432 420 Y N 0.575 120.782 120.300 -0.155 0.000 2.145 420 Y HA -0.223 4.326 4.550 -0.001 0.000 0.286 420 Y C 2.519 178.332 175.900 -0.145 0.000 1.145 420 Y CA 2.148 60.143 58.100 -0.175 0.000 1.148 420 Y CB -0.194 38.163 38.460 -0.171 0.000 0.981 420 Y HN 0.407 nan 8.280 nan 0.000 0.507 421 E N -0.728 119.428 120.200 -0.073 0.000 2.070 421 E HA -0.238 4.111 4.350 -0.001 0.000 0.197 421 E C 2.387 178.831 176.600 -0.260 0.000 1.004 421 E CA 1.118 57.445 56.400 -0.122 0.000 0.805 421 E CB -0.608 29.067 29.700 -0.040 0.000 0.744 421 E HN 0.642 nan 8.360 nan 0.000 0.451 422 G N 1.093 109.563 108.800 -0.550 0.000 2.422 422 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.218 422 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.218 422 G C 1.580 176.397 174.900 -0.138 0.000 1.146 422 G CA 0.457 45.025 45.100 -0.888 0.000 0.769 422 G HN 0.084 nan 8.290 nan 0.000 0.547 423 L N 0.399 121.537 121.223 -0.142 0.000 2.046 423 L HA -0.062 4.278 4.340 -0.001 0.000 0.208 423 L C 2.773 179.477 176.870 -0.277 0.000 1.077 423 L CA 0.534 55.226 54.840 -0.246 0.000 0.747 423 L CB -0.361 41.423 42.059 -0.459 0.000 0.896 423 L HN 0.120 nan 8.230 nan 0.000 0.432 424 I N -0.864 119.498 120.570 -0.348 0.000 2.315 424 I HA -0.289 3.880 4.170 -0.001 0.000 0.248 424 I C 2.550 178.605 176.117 -0.103 0.000 1.117 424 I CA 1.434 62.603 61.300 -0.217 0.000 1.404 424 I CB -1.555 36.316 38.000 -0.215 0.000 1.071 424 I HN 0.413 nan 8.210 nan 0.000 0.419 425 H N 1.585 120.561 119.070 -0.156 0.000 2.319 425 H HA -0.167 4.388 4.556 -0.001 0.000 0.297 425 H C 2.144 177.391 175.328 -0.135 0.000 1.097 425 H CA 2.096 58.065 56.048 -0.131 0.000 1.285 425 H CB -0.076 29.652 29.762 -0.057 0.000 1.368 425 H HN 0.319 nan 8.280 nan 0.000 0.495 426 G N -0.560 108.271 108.800 0.052 0.000 2.443 426 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.219 426 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.219 426 G C 1.779 176.607 174.900 -0.120 0.000 1.131 426 G CA 1.260 46.392 45.100 0.054 0.000 0.775 426 G HN 0.606 nan 8.290 nan 0.000 0.547 427 T N -0.970 113.492 114.554 -0.152 0.000 3.118 427 T HA 0.087 4.437 4.350 -0.001 0.000 0.260 427 T C 1.304 175.865 174.700 -0.232 0.000 1.139 427 T CA 1.248 63.265 62.100 -0.140 0.000 1.085 427 T CB -0.039 68.852 68.868 0.038 0.000 0.934 427 T HN 0.619 nan 8.240 nan 0.000 0.518 428 E N -0.043 119.879 120.200 -0.463 0.000 2.945 428 E HA 0.259 4.609 4.350 -0.001 0.000 0.196 428 E C -0.764 175.023 176.600 -1.354 0.000 0.965 428 E CA -0.803 55.054 56.400 -0.906 0.000 1.270 428 E CB 0.319 29.792 29.700 -0.379 0.000 1.045 428 E HN 0.190 nan 8.360 nan 0.000 0.474 429 N N 0.816 118.940 118.700 -0.961 0.000 2.264 429 N HA 0.308 5.047 4.740 -0.001 0.000 0.288 429 N C -1.844 173.623 175.510 -0.071 0.000 1.094 429 N CA -0.550 52.190 53.050 -0.517 0.000 0.817 429 N CB 2.876 41.122 38.487 -0.401 0.000 1.604 429 N HN 0.034 nan 8.380 nan 0.000 0.473 430 V N 1.878 121.876 119.914 0.141 0.000 2.495 430 V HA 0.242 4.361 4.120 -0.001 0.000 0.298 430 V C -0.134 176.005 176.094 0.074 0.000 1.031 430 V CA -0.566 61.828 62.300 0.157 0.000 0.871 430 V CB 1.254 33.199 31.823 0.203 0.000 0.988 430 V HN 0.704 nan 8.190 nan 0.000 0.432 431 H N 7.996 126.843 119.070 -0.372 0.000 2.964 431 H HA 0.160 4.715 4.556 -0.001 0.000 0.328 431 H C -1.876 173.339 175.328 -0.188 0.000 1.030 431 H CA -0.671 55.022 56.048 -0.593 0.000 1.445 431 H CB 1.885 31.062 29.762 -0.976 0.000 1.449 431 H HN 0.507 nan 8.280 nan 0.000 0.581 432 P HA -0.119 nan 4.420 nan 0.000 0.216 432 P C 0.676 178.009 177.300 0.056 0.000 1.150 432 P CA 1.394 64.449 63.100 -0.074 0.000 0.837 432 P CB 0.482 32.102 31.700 -0.133 0.000 0.786 433 E N -1.778 118.558 120.200 0.228 0.000 2.340 433 E HA 0.068 4.417 4.350 -0.001 0.000 0.198 433 E C -0.019 176.657 176.600 0.126 0.000 0.961 433 E CA 0.303 56.819 56.400 0.193 0.000 0.905 433 E CB 0.315 30.144 29.700 0.214 0.000 0.884 433 E HN -0.039 nan 8.360 nan 0.000 0.491 434 V N 2.091 122.086 119.914 0.135 0.000 2.325 434 V HA 0.107 4.227 4.120 -0.001 0.000 0.280 434 V C 0.997 177.048 176.094 -0.072 0.000 1.016 434 V CA -0.048 62.193 62.300 -0.098 0.000 0.818 434 V CB 1.197 32.799 31.823 -0.368 0.000 1.019 434 V HN 0.212 nan 8.190 nan 0.000 0.434 435 S N 2.798 118.489 115.700 -0.016 0.000 2.423 435 S HA -0.137 4.332 4.470 -0.001 0.000 0.231 435 S C 1.816 176.426 174.600 0.017 0.000 1.014 435 S CA 1.326 59.533 58.200 0.012 0.000 0.965 435 S CB -0.228 62.988 63.200 0.028 0.000 0.785 435 S HN 0.897 nan 8.310 nan 0.000 0.495 436 S N 0.348 116.049 115.700 0.002 0.000 2.607 436 S HA 0.120 4.589 4.470 -0.001 0.000 0.224 436 S C 0.500 175.119 174.600 0.032 0.000 0.969 436 S CA -0.079 58.148 58.200 0.045 0.000 0.927 436 S CB -0.634 62.604 63.200 0.064 0.000 0.772 436 S HN 0.451 nan 8.310 nan 0.000 0.533 437 T N 2.513 117.012 114.554 -0.091 0.000 2.767 437 T HA 0.640 4.990 4.350 -0.001 0.000 0.288 437 T C 0.785 175.397 174.700 -0.147 0.000 0.963 437 T CA 0.224 62.206 62.100 -0.196 0.000 1.019 437 T CB 0.904 69.416 68.868 -0.593 0.000 0.923 437 T HN 0.742 nan 8.240 nan 0.000 0.468 438 G N 3.257 112.084 108.800 0.046 0.000 2.542 438 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.235 438 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.235 438 G C -0.778 174.179 174.900 0.095 0.000 1.286 438 G CA -0.792 44.404 45.100 0.162 0.000 0.904 438 G HN 0.774 nan 8.290 nan 0.000 0.577 439 R N -0.363 120.164 120.500 0.044 0.000 2.358 439 R HA 0.448 4.787 4.340 -0.001 0.000 0.309 439 R C -0.304 176.121 176.300 0.208 0.000 1.026 439 R CA -0.813 55.290 56.100 0.006 0.000 0.909 439 R CB 1.397 31.453 30.300 -0.408 0.000 1.153 439 R HN 0.557 nan 8.270 nan 0.000 0.515 440 L N 2.027 123.420 121.223 0.284 0.000 2.453 440 L HA 0.230 4.570 4.340 -0.001 0.000 0.272 440 L C 1.111 178.162 176.870 0.301 0.000 1.182 440 L CA 1.455 56.450 54.840 0.257 0.000 0.858 440 L CB 0.808 42.973 42.059 0.176 0.000 1.120 440 L HN 0.917 nan 8.230 nan 0.000 0.474 441 G N 3.560 112.502 108.800 0.238 0.000 2.176 441 G HA2 -0.391 3.568 3.960 -0.001 0.000 0.252 441 G HA3 -0.391 3.568 3.960 -0.001 0.000 0.252 441 G C 0.504 175.543 174.900 0.231 0.000 1.024 441 G CA 0.875 46.124 45.100 0.248 0.000 0.755 441 G HN 1.133 nan 8.290 nan 0.000 0.507 442 Y N -0.982 119.399 120.300 0.133 0.000 2.207 442 Y HA 0.046 4.595 4.550 -0.001 0.000 0.287 442 Y C 2.168 178.134 175.900 0.111 0.000 1.156 442 Y CA 1.708 59.860 58.100 0.087 0.000 1.182 442 Y CB -0.516 37.932 38.460 -0.020 0.000 0.979 442 Y HN 0.427 nan 8.280 nan 0.000 0.521 443 E N 0.023 119.839 120.200 -0.639 0.000 2.058 443 E HA -0.206 4.143 4.350 -0.001 0.000 0.194 443 E C 1.847 178.274 176.600 -0.289 0.000 0.997 443 E CA 1.864 57.954 56.400 -0.517 0.000 0.801 443 E CB -0.507 28.765 29.700 -0.714 0.000 0.746 443 E HN 0.578 nan 8.360 nan 0.000 0.450 444 Y N -0.474 119.743 120.300 -0.137 0.000 2.145 444 Y HA -0.268 4.282 4.550 -0.001 0.000 0.286 444 Y C 2.319 178.173 175.900 -0.077 0.000 1.145 444 Y CA 1.636 59.665 58.100 -0.119 0.000 1.148 444 Y CB -0.713 37.680 38.460 -0.113 0.000 0.981 444 Y HN 0.151 nan 8.280 nan 0.000 0.507 445 Y N 1.241 121.598 120.300 0.096 0.000 2.145 445 Y HA -0.271 4.278 4.550 -0.001 0.000 0.286 445 Y C 2.031 177.966 175.900 0.059 0.000 1.145 445 Y CA 1.872 60.036 58.100 0.105 0.000 1.148 445 Y CB -0.566 38.038 38.460 0.240 0.000 0.981 445 Y HN 0.051 nan 8.280 nan 0.000 0.507 446 N N 0.460 119.205 118.700 0.075 0.000 2.309 446 N HA -0.150 4.590 4.740 -0.001 0.000 0.182 446 N C 1.728 177.176 175.510 -0.102 0.000 1.018 446 N CA 1.456 54.486 53.050 -0.034 0.000 0.876 446 N CB -0.310 38.226 38.487 0.081 0.000 0.972 446 N HN 0.499 nan 8.380 nan 0.000 0.434 447 K N -0.115 120.224 120.400 -0.101 0.000 2.128 447 K HA 0.068 4.388 4.320 -0.001 0.000 0.202 447 K C 1.003 177.530 176.600 -0.121 0.000 1.050 447 K CA 0.443 56.664 56.287 -0.111 0.000 0.966 447 K CB 0.245 32.670 32.500 -0.125 0.000 0.759 447 K HN -0.075 nan 8.250 nan 0.000 0.454 448 L N -0.099 121.027 121.223 -0.162 0.000 2.408 448 L HA 0.261 4.601 4.340 -0.001 0.000 0.215 448 L C 1.379 178.185 176.870 -0.107 0.000 1.081 448 L CA 1.618 56.340 54.840 -0.198 0.000 0.840 448 L CB -0.199 41.565 42.059 -0.492 0.000 1.002 448 L HN 0.566 nan 8.230 nan 0.000 0.468 449 G N -0.424 108.266 108.800 -0.183 0.000 2.141 449 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.242 449 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.242 449 G C 0.052 174.990 174.900 0.064 0.000 0.982 449 G CA 0.460 45.467 45.100 -0.154 0.000 0.662 449 G HN 0.452 nan 8.290 nan 0.000 0.527 450 Y N -3.665 116.618 120.300 -0.028 0.000 2.732 450 Y HA 0.584 5.134 4.550 -0.000 0.000 0.342 450 Y C -0.731 175.318 175.900 0.247 0.000 1.203 450 Y CA -1.543 56.675 58.100 0.197 0.000 1.092 450 Y CB 0.604 39.118 38.460 0.090 0.000 1.345 450 Y HN 0.479 nan 8.280 nan 0.000 0.458 451 V N 3.341 123.448 119.914 0.323 0.000 2.383 451 V HA 0.456 4.576 4.120 -0.001 0.000 0.275 451 V C -2.197 173.949 176.094 0.088 0.000 1.036 451 V CA -1.797 60.567 62.300 0.106 0.000 0.889 451 V CB 0.916 32.806 31.823 0.111 0.000 0.985 451 V HN 0.617 nan 8.190 nan 0.000 0.459 452 P HA 0.085 nan 4.420 nan 0.000 0.273 452 P C -0.009 177.291 177.300 0.000 0.000 1.250 452 P CA -0.093 63.023 63.100 0.026 0.000 0.793 452 P CB 0.585 32.182 31.700 -0.171 0.000 1.011 453 Y N 1.076 121.339 120.300 -0.061 0.000 2.500 453 Y HA 0.028 4.577 4.550 -0.001 0.000 0.270 453 Y C 0.717 176.562 175.900 -0.092 0.000 1.134 453 Y CA 0.860 58.907 58.100 -0.088 0.000 1.293 453 Y CB 0.139 38.559 38.460 -0.067 0.000 1.063 453 Y HN 0.248 nan 8.280 nan 0.000 0.534 454 D N -0.347 120.031 120.400 -0.037 0.000 2.599 454 D HA 0.031 4.670 4.640 -0.001 0.000 0.249 454 D C 0.420 176.646 176.300 -0.124 0.000 1.313 454 D CA 0.491 54.452 54.000 -0.065 0.000 0.815 454 D CB -0.581 40.257 40.800 0.064 0.000 1.077 454 D HN 0.212 nan 8.370 nan 0.000 0.492 455 V N -2.660 117.123 119.914 -0.218 0.000 3.177 455 V HA 0.398 4.517 4.120 -0.001 0.000 0.342 455 V C 0.502 176.481 176.094 -0.191 0.000 1.379 455 V CA -0.662 61.482 62.300 -0.261 0.000 1.191 455 V CB -0.287 31.152 31.823 -0.640 0.000 1.167 455 V HN -0.029 nan 8.190 nan 0.000 0.471 456 K N 0.213 120.516 120.400 -0.162 0.000 3.281 456 K HA -0.159 4.160 4.320 -0.001 0.000 0.295 456 K C -0.179 176.360 176.600 -0.102 0.000 1.233 456 K CA 0.967 57.185 56.287 -0.114 0.000 0.866 456 K CB -2.035 30.427 32.500 -0.063 0.000 1.265 456 K HN 0.734 nan 8.250 nan 0.000 0.482 457 I N 1.993 122.478 120.570 -0.141 0.000 2.359 457 I HA 0.149 4.318 4.170 -0.001 0.000 0.284 457 I C 0.544 176.576 176.117 -0.140 0.000 1.018 457 I CA -0.784 60.453 61.300 -0.105 0.000 1.173 457 I CB 1.070 39.020 38.000 -0.083 0.000 1.326 457 I HN -0.063 nan 8.210 nan 0.000 0.462 458 N N 4.945 123.578 118.700 -0.111 0.000 2.371 458 N HA 0.061 4.800 4.740 -0.001 0.000 0.243 458 N C 0.319 175.740 175.510 -0.148 0.000 1.287 458 N CA 0.115 53.084 53.050 -0.135 0.000 0.911 458 N CB 0.331 38.793 38.487 -0.041 0.000 1.142 458 N HN 0.512 nan 8.380 nan 0.000 0.451 459 E N -1.102 118.971 120.200 -0.211 0.000 2.637 459 E HA -0.251 4.098 4.350 -0.001 0.000 0.265 459 E C 0.563 177.022 176.600 -0.235 0.000 1.073 459 E CA 0.483 56.751 56.400 -0.221 0.000 0.778 459 E CB -1.429 28.190 29.700 -0.134 0.000 1.362 459 E HN 0.665 nan 8.360 nan 0.000 0.413 460 N N 0.024 118.582 118.700 -0.236 0.000 2.188 460 N HA -0.166 4.573 4.740 -0.001 0.000 0.184 460 N C 1.847 177.254 175.510 -0.171 0.000 1.018 460 N CA 1.365 54.312 53.050 -0.172 0.000 0.858 460 N CB -0.137 38.274 38.487 -0.127 0.000 0.989 460 N HN 0.268 nan 8.380 nan 0.000 0.426 461 A N 1.457 124.102 122.820 -0.293 0.000 1.898 461 A HA 0.227 4.547 4.320 -0.001 0.000 0.216 461 A C 2.529 179.989 177.584 -0.207 0.000 1.181 461 A CA 1.627 53.497 52.037 -0.279 0.000 0.620 461 A CB -0.859 17.759 19.000 -0.637 0.000 0.819 461 A HN 0.452 nan 8.150 nan 0.000 0.442 462 A N -0.341 122.264 122.820 -0.358 0.000 1.969 462 A HA -0.119 4.201 4.320 -0.001 0.000 0.218 462 A C 2.221 179.693 177.584 -0.188 0.000 1.169 462 A CA 1.419 53.210 52.037 -0.409 0.000 0.635 462 A CB -0.403 18.160 19.000 -0.728 0.000 0.810 462 A HN 0.539 nan 8.150 nan 0.000 0.445 463 R N -1.063 119.276 120.500 -0.269 0.000 2.092 463 R HA -0.059 4.280 4.340 -0.001 0.000 0.231 463 R C 2.218 178.091 176.300 -0.712 0.000 1.119 463 R CA 1.725 57.501 56.100 -0.540 0.000 0.970 463 R CB -0.551 29.418 30.300 -0.552 0.000 0.864 463 R HN 0.503 nan 8.270 nan 0.000 0.440 464 T N 1.587 115.985 114.554 -0.260 0.000 2.737 464 T HA -0.075 4.275 4.350 -0.001 0.000 0.265 464 T C 1.883 176.704 174.700 0.201 0.000 1.038 464 T CA 1.003 63.142 62.100 0.065 0.000 1.144 464 T CB -0.170 68.845 68.868 0.246 0.000 0.866 464 T HN 0.097 nan 8.240 nan 0.000 0.434 465 L N 0.703 122.035 121.223 0.182 0.000 2.043 465 L HA -0.161 4.178 4.340 -0.001 0.000 0.212 465 L C 2.708 179.758 176.870 0.299 0.000 1.075 465 L CA 1.598 56.603 54.840 0.275 0.000 0.752 465 L CB -0.524 41.702 42.059 0.278 0.000 0.891 465 L HN 0.362 nan 8.230 nan 0.000 0.432 466 E N -1.389 118.952 120.200 0.235 0.000 2.170 466 E HA -0.157 4.192 4.350 -0.001 0.000 0.191 466 E C 2.174 178.944 176.600 0.283 0.000 0.981 466 E CA 0.587 57.165 56.400 0.296 0.000 0.830 466 E CB -0.031 29.841 29.700 0.287 0.000 0.775 466 E HN 0.384 nan 8.360 nan 0.000 0.470 467 Y N 1.205 121.550 120.300 0.074 0.000 2.128 467 Y HA -0.217 4.333 4.550 -0.001 0.000 0.284 467 Y C 2.489 178.445 175.900 0.094 0.000 1.154 467 Y CA 0.732 58.788 58.100 -0.073 0.000 1.149 467 Y CB -1.249 36.893 38.460 -0.530 0.000 0.976 467 Y HN 0.033 nan 8.280 nan 0.000 0.505 468 A N -0.188 122.894 122.820 0.436 0.000 1.859 468 A HA -0.315 4.004 4.320 -0.001 0.000 0.217 468 A C 2.204 179.914 177.584 0.211 0.000 1.198 468 A CA 2.024 54.340 52.037 0.465 0.000 0.629 468 A CB -1.686 17.656 19.000 0.571 0.000 0.830 468 A HN 0.539 nan 8.150 nan 0.000 0.446 469 Y N 1.467 121.760 120.300 -0.011 0.000 2.114 469 Y HA -0.275 4.275 4.550 -0.000 0.000 0.282 469 Y C 1.862 177.700 175.900 -0.104 0.000 1.165 469 Y CA 2.196 60.109 58.100 -0.312 0.000 1.148 469 Y CB -0.392 38.075 38.460 0.012 0.000 0.972 469 Y HN 0.399 nan 8.280 nan 0.000 0.504 470 D N 0.145 120.392 120.400 -0.255 0.000 2.149 470 D HA -0.183 4.456 4.640 -0.001 0.000 0.198 470 D C 1.712 177.855 176.300 -0.261 0.000 0.990 470 D CA 1.590 55.382 54.000 -0.346 0.000 0.839 470 D CB -0.370 40.341 40.800 -0.149 0.000 0.948 470 D HN 0.488 nan 8.370 nan 0.000 0.460 471 D N -0.258 120.104 120.400 -0.063 0.000 2.144 471 D HA -0.133 4.507 4.640 -0.001 0.000 0.200 471 D C 1.844 178.146 176.300 0.004 0.000 0.978 471 D CA 0.426 54.448 54.000 0.038 0.000 0.833 471 D CB -0.425 40.573 40.800 0.330 0.000 0.961 471 D HN 0.351 nan 8.370 nan 0.000 0.470 472 W N 1.382 122.546 121.300 -0.225 0.000 2.321 472 W HA -0.303 4.357 4.660 0.000 0.000 0.306 472 W C 2.332 178.711 176.519 -0.233 0.000 1.217 472 W CA 1.399 58.599 57.345 -0.242 0.000 1.257 472 W CB -0.511 28.757 29.460 -0.320 0.000 1.145 472 W HN -0.037 nan 8.180 nan 0.000 0.509 473 C N 0.508 119.644 119.300 -0.273 0.000 2.413 473 C HA -0.230 4.229 4.460 -0.001 0.000 0.276 473 C C 2.701 177.358 174.990 -0.555 0.000 1.236 473 C CA 1.469 60.179 59.018 -0.514 0.000 1.735 473 C CB -1.504 25.969 27.740 -0.444 0.000 2.031 473 C HN 0.404 nan 8.230 nan 0.000 0.474 474 I N -0.366 119.903 120.570 -0.501 0.000 2.179 474 I HA -0.244 3.926 4.170 -0.001 0.000 0.242 474 I C 2.466 178.321 176.117 -0.437 0.000 1.088 474 I CA 1.978 62.927 61.300 -0.586 0.000 1.357 474 I CB -0.840 36.563 38.000 -0.996 0.000 1.051 474 I HN 0.416 nan 8.210 nan 0.000 0.409 475 Y N 2.230 122.270 120.300 -0.434 0.000 2.069 475 Y HA -0.325 4.224 4.550 -0.001 0.000 0.278 475 Y C 2.809 178.489 175.900 -0.367 0.000 1.175 475 Y CA 1.633 59.581 58.100 -0.253 0.000 1.134 475 Y CB -0.206 38.121 38.460 -0.220 0.000 0.965 475 Y HN -0.045 nan 8.280 nan 0.000 0.498 476 R N 0.047 119.993 120.500 -0.924 0.000 2.105 476 R HA -0.172 4.167 4.340 -0.001 0.000 0.239 476 R C 2.189 178.105 176.300 -0.641 0.000 1.135 476 R CA 1.567 57.076 56.100 -0.984 0.000 0.967 476 R CB -0.874 28.729 30.300 -1.163 0.000 0.861 476 R HN 0.460 nan 8.270 nan 0.000 0.442 477 L N 0.257 121.170 121.223 -0.517 0.000 2.209 477 L HA 0.103 4.442 4.340 -0.001 0.000 0.207 477 L C 2.165 178.830 176.870 -0.342 0.000 1.094 477 L CA 1.414 56.009 54.840 -0.408 0.000 0.790 477 L CB -0.425 41.409 42.059 -0.375 0.000 0.932 477 L HN 0.053 nan 8.230 nan 0.000 0.447 478 A N -0.418 122.251 122.820 -0.251 0.000 1.902 478 A HA -0.236 4.084 4.320 -0.001 0.000 0.217 478 A C 2.395 179.830 177.584 -0.247 0.000 1.181 478 A CA 1.909 53.836 52.037 -0.183 0.000 0.623 478 A CB -0.516 18.523 19.000 0.065 0.000 0.818 478 A HN 0.452 nan 8.150 nan 0.000 0.443 479 K N -0.383 119.817 120.400 -0.333 0.000 1.969 479 K HA -0.250 4.070 4.320 -0.001 0.000 0.216 479 K C 2.111 178.563 176.600 -0.247 0.000 1.048 479 K CA 1.887 57.990 56.287 -0.306 0.000 0.948 479 K CB -0.250 31.955 32.500 -0.491 0.000 0.726 479 K HN 0.390 nan 8.250 nan 0.000 0.442 480 E N 0.552 120.585 120.200 -0.278 0.000 2.136 480 E HA -0.223 4.126 4.350 -0.001 0.000 0.202 480 E C 1.492 177.980 176.600 -0.186 0.000 1.019 480 E CA 1.471 57.750 56.400 -0.201 0.000 0.819 480 E CB -0.193 29.390 29.700 -0.195 0.000 0.739 480 E HN 0.278 nan 8.360 nan 0.000 0.458 481 L N 0.488 121.551 121.223 -0.266 0.000 2.611 481 L HA 0.235 4.574 4.340 -0.001 0.000 0.229 481 L C -0.019 176.704 176.870 -0.245 0.000 1.137 481 L CA 0.633 55.301 54.840 -0.286 0.000 0.901 481 L CB -0.421 41.373 42.059 -0.443 0.000 1.098 481 L HN 0.109 nan 8.230 nan 0.000 0.456 482 K N 0.308 120.592 120.400 -0.194 0.000 3.150 482 K HA -0.183 4.136 4.320 -0.001 0.000 0.267 482 K C -0.265 176.246 176.600 -0.148 0.000 1.028 482 K CA 0.229 56.432 56.287 -0.139 0.000 0.753 482 K CB -0.859 31.579 32.500 -0.103 0.000 1.288 482 K HN 0.145 nan 8.250 nan 0.000 0.473 483 R N -0.112 120.284 120.500 -0.175 0.000 2.615 483 R HA 0.229 4.569 4.340 -0.001 0.000 0.270 483 R C -2.216 174.053 176.300 -0.053 0.000 1.081 483 R CA -2.264 53.748 56.100 -0.146 0.000 1.154 483 R CB -0.406 29.797 30.300 -0.161 0.000 1.063 483 R HN -0.020 nan 8.270 nan 0.000 0.519 484 P HA -0.014 nan 4.420 nan 0.000 0.264 484 P C 0.685 177.998 177.300 0.022 0.000 1.183 484 P CA 0.572 63.672 63.100 -0.001 0.000 0.763 484 P CB 0.358 32.062 31.700 0.007 0.000 0.807 485 K N 5.229 125.641 120.400 0.021 0.000 2.144 485 K HA -0.262 4.057 4.320 -0.001 0.000 0.209 485 K C 1.598 178.227 176.600 0.049 0.000 1.047 485 K CA 2.129 58.440 56.287 0.039 0.000 0.927 485 K CB -1.264 31.254 32.500 0.029 0.000 0.716 485 K HN 0.638 nan 8.250 nan 0.000 0.454 486 K N 0.513 120.931 120.400 0.030 0.000 2.057 486 K HA -0.144 4.176 4.320 -0.001 0.000 0.207 486 K C 1.935 178.546 176.600 0.019 0.000 1.049 486 K CA 1.647 57.944 56.287 0.016 0.000 0.931 486 K CB -0.310 32.190 32.500 -0.000 0.000 0.714 486 K HN 0.677 nan 8.250 nan 0.000 0.440 487 E N 1.049 121.279 120.200 0.050 0.000 2.023 487 E HA -0.130 4.220 4.350 -0.001 0.000 0.196 487 E C 2.282 178.993 176.600 0.186 0.000 1.003 487 E CA 1.409 57.869 56.400 0.101 0.000 0.809 487 E CB -0.275 29.537 29.700 0.186 0.000 0.755 487 E HN 0.255 nan 8.360 nan 0.000 0.449 488 I N 1.093 121.790 120.570 0.213 0.000 2.145 488 I HA -0.351 3.818 4.170 -0.001 0.000 0.244 488 I C 2.470 178.776 176.117 0.315 0.000 1.075 488 I CA 1.155 62.638 61.300 0.306 0.000 1.332 488 I CB -0.281 37.848 38.000 0.214 0.000 1.033 488 I HN 0.030 nan 8.210 nan 0.000 0.410 489 S N 0.554 116.352 115.700 0.163 0.000 2.383 489 S HA -0.152 4.318 4.470 -0.001 0.000 0.227 489 S C 1.881 176.499 174.600 0.030 0.000 1.026 489 S CA 1.100 59.357 58.200 0.096 0.000 0.981 489 S CB -0.402 62.827 63.200 0.049 0.000 0.818 489 S HN 0.320 nan 8.310 nan 0.000 0.472 490 L N 0.908 122.097 121.223 -0.057 0.000 2.017 490 L HA -0.012 4.327 4.340 -0.001 0.000 0.208 490 L C 1.736 178.473 176.870 -0.222 0.000 1.073 490 L CA 1.849 56.561 54.840 -0.214 0.000 0.745 490 L CB -0.676 41.139 42.059 -0.408 0.000 0.894 490 L HN 0.193 nan 8.230 nan 0.000 0.432 491 F N -0.390 119.608 119.950 0.081 0.000 2.367 491 F HA 0.072 4.598 4.527 -0.001 0.000 0.298 491 F C 2.467 178.282 175.800 0.024 0.000 1.094 491 F CA 0.765 58.812 58.000 0.079 0.000 1.409 491 F CB -1.260 37.801 39.000 0.102 0.000 1.064 491 F HN 0.161 nan 8.300 nan 0.000 0.528 492 A N -0.049 122.829 122.820 0.096 0.000 1.972 492 A HA -0.220 4.099 4.320 -0.001 0.000 0.219 492 A C 2.306 179.990 177.584 0.167 0.000 1.169 492 A CA 1.804 53.810 52.037 -0.053 0.000 0.635 492 A CB -0.625 18.314 19.000 -0.102 0.000 0.810 492 A HN 0.355 nan 8.150 nan 0.000 0.446 493 K N -0.564 119.891 120.400 0.092 0.000 2.076 493 K HA -0.040 4.280 4.320 -0.001 0.000 0.204 493 K C 2.205 178.864 176.600 0.097 0.000 1.051 493 K CA 0.853 57.181 56.287 0.068 0.000 0.949 493 K CB -0.139 32.360 32.500 -0.003 0.000 0.726 493 K HN 0.401 nan 8.250 nan 0.000 0.443 494 R N 0.054 120.620 120.500 0.110 0.000 2.148 494 R HA -0.022 4.317 4.340 -0.001 0.000 0.227 494 R C 2.151 178.633 176.300 0.303 0.000 1.103 494 R CA 0.955 57.151 56.100 0.159 0.000 0.983 494 R CB -0.207 30.220 30.300 0.212 0.000 0.874 494 R HN 0.196 nan 8.270 nan 0.000 0.451 495 A N 0.435 123.457 122.820 0.337 0.000 2.178 495 A HA -0.085 4.234 4.320 -0.001 0.000 0.218 495 A C 1.742 179.710 177.584 0.640 0.000 1.157 495 A CA 1.059 53.379 52.037 0.471 0.000 0.689 495 A CB -0.071 19.143 19.000 0.357 0.000 0.787 495 A HN 0.117 nan 8.150 nan 0.000 0.465 496 M N -0.382 119.439 119.600 0.370 0.000 2.382 496 M HA 0.097 4.576 4.480 -0.001 0.000 0.247 496 M C 0.860 177.090 176.300 -0.117 0.000 1.104 496 M CA 0.157 55.516 55.300 0.097 0.000 1.030 496 M CB -0.911 31.698 32.600 0.015 0.000 1.424 496 M HN 0.318 nan 8.290 nan 0.000 0.486 497 N N 1.065 119.833 118.700 0.112 0.000 2.258 497 N HA -0.216 4.523 4.740 -0.001 0.000 0.187 497 N C 1.580 177.165 175.510 0.124 0.000 1.012 497 N CA 1.377 54.491 53.050 0.106 0.000 0.870 497 N CB -0.614 37.987 38.487 0.191 0.000 0.977 497 N HN 0.639 nan 8.380 nan 0.000 0.434 498 Y N 0.756 121.206 120.300 0.250 0.000 2.241 498 Y HA -0.128 4.421 4.550 -0.001 0.000 0.286 498 Y C 1.901 177.885 175.900 0.141 0.000 1.166 498 Y CA 1.208 59.432 58.100 0.207 0.000 1.203 498 Y CB -0.598 37.989 38.460 0.212 0.000 0.977 498 Y HN -0.107 nan 8.280 nan 0.000 0.529 499 K N 0.704 120.799 120.400 -0.508 0.000 2.209 499 K HA -0.142 4.178 4.320 -0.001 0.000 0.204 499 K C 1.330 177.910 176.600 -0.034 0.000 1.048 499 K CA 1.523 57.637 56.287 -0.289 0.000 0.940 499 K CB -0.326 31.916 32.500 -0.430 0.000 0.729 499 K HN 0.558 nan 8.250 nan 0.000 0.451 500 N N 0.220 118.900 118.700 -0.033 0.000 2.512 500 N HA -0.050 4.689 4.740 -0.001 0.000 0.183 500 N C 0.925 176.363 175.510 -0.120 0.000 1.073 500 N CA 0.478 53.485 53.050 -0.073 0.000 0.911 500 N CB 0.203 38.669 38.487 -0.036 0.000 0.964 500 N HN 0.082 nan 8.380 nan 0.000 0.447 501 L N -0.687 120.573 121.223 0.062 0.000 2.766 501 L HA 0.252 4.592 4.340 -0.001 0.000 0.242 501 L C -0.225 176.780 176.870 0.224 0.000 1.136 501 L CA -0.423 54.499 54.840 0.137 0.000 0.933 501 L CB 0.246 42.367 42.059 0.104 0.000 1.241 501 L HN 0.117 nan 8.230 nan 0.000 0.522 502 F N 1.835 121.823 119.950 0.064 0.000 2.504 502 F HA 0.112 4.638 4.527 -0.002 0.000 0.369 502 F C 0.467 176.119 175.800 -0.248 0.000 1.082 502 F CA -0.530 57.424 58.000 -0.077 0.000 1.216 502 F CB 0.503 39.481 39.000 -0.036 0.000 1.108 502 F HN -0.100 nan 8.300 nan 0.000 0.554 503 D N 5.650 125.307 120.400 -1.238 0.000 2.443 503 D HA 0.180 4.819 4.640 -0.001 0.000 0.221 503 D C 0.753 176.359 176.300 -1.158 0.000 1.097 503 D CA -0.211 53.009 54.000 -1.301 0.000 0.865 503 D CB 0.937 40.897 40.800 -1.400 0.000 1.034 503 D HN 0.585 nan 8.370 nan 0.000 0.511 504 K N 2.068 122.090 120.400 -0.629 0.000 2.152 504 K HA -0.207 4.113 4.320 -0.001 0.000 0.206 504 K C 1.466 177.921 176.600 -0.243 0.000 1.048 504 K CA 1.053 57.199 56.287 -0.234 0.000 0.933 504 K CB 0.209 32.734 32.500 0.041 0.000 0.721 504 K HN 0.421 nan 8.250 nan 0.000 0.447 505 E N 0.621 120.644 120.200 -0.295 0.000 2.033 505 E HA -0.210 4.140 4.350 -0.001 0.000 0.199 505 E C 1.730 178.207 176.600 -0.205 0.000 1.011 505 E CA 2.256 58.529 56.400 -0.212 0.000 0.815 505 E CB 0.002 29.566 29.700 -0.226 0.000 0.755 505 E HN 0.297 nan 8.360 nan 0.000 0.451 506 S N -1.360 114.153 115.700 -0.312 0.000 2.517 506 S HA 0.149 4.618 4.470 -0.001 0.000 0.214 506 S C 0.512 174.924 174.600 -0.314 0.000 0.991 506 S CA 0.313 58.372 58.200 -0.234 0.000 0.906 506 S CB 0.075 63.192 63.200 -0.138 0.000 0.789 506 S HN 0.343 nan 8.310 nan 0.000 0.513 507 K N 0.030 120.144 120.400 -0.478 0.000 3.339 507 K HA -0.109 4.210 4.320 -0.001 0.000 0.299 507 K C -0.804 175.486 176.600 -0.517 0.000 1.270 507 K CA 0.766 56.809 56.287 -0.406 0.000 0.875 507 K CB -2.130 30.339 32.500 -0.051 0.000 1.298 507 K HN 0.468 nan 8.250 nan 0.000 0.485 508 L N 0.623 121.406 121.223 -0.734 0.000 2.354 508 L HA 0.506 4.846 4.340 -0.001 0.000 0.264 508 L C 0.498 177.046 176.870 -0.536 0.000 1.008 508 L CA -1.411 53.061 54.840 -0.614 0.000 0.819 508 L CB 1.384 43.087 42.059 -0.595 0.000 1.339 508 L HN -0.078 nan 8.230 nan 0.000 0.420 509 M N 2.231 121.658 119.600 -0.288 0.000 2.252 509 M HA 0.245 4.724 4.480 -0.001 0.000 0.333 509 M C -0.186 176.113 176.300 -0.000 0.000 1.111 509 M CA 0.696 55.948 55.300 -0.080 0.000 1.140 509 M CB 0.219 32.894 32.600 0.124 0.000 1.538 509 M HN 0.572 nan 8.290 nan 0.000 0.448 510 R N 0.140 120.586 120.500 -0.091 0.000 2.629 510 R HA 0.502 4.841 4.340 -0.001 0.000 0.266 510 R C -0.643 175.596 176.300 -0.100 0.000 1.051 510 R CA -0.479 55.462 56.100 -0.265 0.000 0.895 510 R CB 1.381 31.014 30.300 -1.111 0.000 1.246 510 R HN 0.884 nan 8.270 nan 0.000 0.459 511 G N 2.761 111.478 108.800 -0.138 0.000 2.378 511 G HA2 0.194 4.154 3.960 -0.001 0.000 0.255 511 G HA3 0.194 4.154 3.960 -0.001 0.000 0.255 511 G C -0.705 174.147 174.900 -0.081 0.000 1.270 511 G CA -0.303 44.746 45.100 -0.084 0.000 0.876 511 G HN 0.505 nan 8.290 nan 0.000 0.521 512 R N 2.511 122.967 120.500 -0.074 0.000 2.387 512 R HA 0.166 4.505 4.340 -0.001 0.000 0.314 512 R C -0.022 176.283 176.300 0.008 0.000 0.958 512 R CA -0.817 55.121 56.100 -0.271 0.000 0.846 512 R CB 0.586 30.406 30.300 -0.800 0.000 1.147 512 R HN 0.573 nan 8.270 nan 0.000 0.447 513 N N 1.934 120.615 118.700 -0.032 0.000 2.340 513 N HA -0.114 4.626 4.740 -0.001 0.000 0.236 513 N C 0.817 176.385 175.510 0.096 0.000 1.296 513 N CA 0.172 53.258 53.050 0.059 0.000 0.896 513 N CB 0.662 39.159 38.487 0.016 0.000 1.127 513 N HN 0.699 nan 8.380 nan 0.000 0.442 514 E N 0.393 120.622 120.200 0.048 0.000 2.085 514 E HA -0.234 4.116 4.350 -0.001 0.000 0.194 514 E C 0.373 176.997 176.600 0.040 0.000 0.994 514 E CA 1.384 57.796 56.400 0.020 0.000 0.801 514 E CB 0.011 29.706 29.700 -0.009 0.000 0.743 514 E HN 0.594 nan 8.360 nan 0.000 0.453 515 D N -1.310 119.103 120.400 0.021 0.000 2.378 515 D HA -0.020 4.619 4.640 -0.001 0.000 0.227 515 D C 1.273 177.567 176.300 -0.011 0.000 1.012 515 D CA 0.986 54.989 54.000 0.005 0.000 0.905 515 D CB 0.107 40.904 40.800 -0.005 0.000 0.895 515 D HN 0.387 nan 8.370 nan 0.000 0.532 516 G N -0.237 108.560 108.800 -0.004 0.000 2.234 516 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.235 516 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.235 516 G C 0.568 175.310 174.900 -0.263 0.000 0.997 516 G CA 0.442 45.490 45.100 -0.086 0.000 0.623 516 G HN 0.816 nan 8.290 nan 0.000 0.514 517 T N -0.735 113.704 114.554 -0.191 0.000 2.860 517 T HA 0.605 4.954 4.350 -0.001 0.000 0.299 517 T C 0.281 174.786 174.700 -0.325 0.000 1.045 517 T CA -0.363 61.613 62.100 -0.207 0.000 1.071 517 T CB 1.218 70.036 68.868 -0.084 0.000 0.985 517 T HN 0.293 nan 8.240 nan 0.000 0.537 518 F N 1.583 121.428 119.950 -0.176 0.000 2.399 518 F HA 0.278 4.806 4.527 0.000 0.000 0.342 518 F C 1.183 176.828 175.800 -0.257 0.000 1.106 518 F CA -0.615 57.230 58.000 -0.259 0.000 1.196 518 F CB 0.935 39.737 39.000 -0.330 0.000 1.163 518 F HN 0.613 nan 8.300 nan 0.000 0.547 519 Q N 2.730 122.443 119.800 -0.144 0.000 2.283 519 Q HA -0.011 4.329 4.340 -0.001 0.000 0.301 519 Q C -0.288 175.602 176.000 -0.184 0.000 1.063 519 Q CA 0.337 55.944 55.803 -0.326 0.000 0.952 519 Q CB 0.855 29.020 28.738 -0.955 0.000 1.166 519 Q HN 0.731 nan 8.270 nan 0.000 0.381 520 S N 3.653 119.289 115.700 -0.106 0.000 2.693 520 S HA 0.481 4.951 4.470 -0.001 0.000 0.276 520 S C -2.329 172.277 174.600 0.010 0.000 1.192 520 S CA -0.915 57.270 58.200 -0.023 0.000 0.994 520 S CB 0.543 63.740 63.200 -0.004 0.000 1.012 520 S HN 0.737 nan 8.310 nan 0.000 0.550 521 P HA -0.195 nan 4.420 nan 0.000 0.024 521 P C -1.198 176.162 177.300 0.099 0.000 0.593 521 P CA 0.710 63.845 63.100 0.059 0.000 1.037 521 P CB -0.900 30.829 31.700 0.049 0.000 1.893 522 F N 2.792 122.703 119.950 -0.065 0.000 2.445 522 F HA 0.342 4.868 4.527 -0.001 0.000 0.359 522 F C 0.193 175.978 175.800 -0.025 0.000 1.101 522 F CA -0.579 57.375 58.000 -0.076 0.000 1.177 522 F CB 0.804 39.730 39.000 -0.124 0.000 1.110 522 F HN -0.002 nan 8.300 nan 0.000 0.522 523 S N 8.824 124.251 115.700 -0.455 0.000 2.577 523 S HA 0.268 4.738 4.470 -0.001 0.000 0.294 523 S C -1.892 172.367 174.600 -0.568 0.000 1.161 523 S CA -0.891 57.055 58.200 -0.423 0.000 1.143 523 S CB 1.179 64.315 63.200 -0.106 0.000 0.991 523 S HN 0.485 nan 8.310 nan 0.000 0.475 524 P HA 0.031 nan 4.420 nan 0.000 0.225 524 P C 0.587 177.852 177.300 -0.059 0.000 1.148 524 P CA 0.750 63.546 63.100 -0.506 0.000 0.779 524 P CB 0.135 31.649 31.700 -0.311 0.000 0.780 525 L N -1.675 119.547 121.223 -0.001 0.000 2.640 525 L HA 0.162 4.501 4.340 -0.001 0.000 0.230 525 L C 1.148 178.171 176.870 0.256 0.000 1.123 525 L CA -0.200 54.714 54.840 0.124 0.000 0.900 525 L CB -0.127 41.991 42.059 0.098 0.000 1.146 525 L HN -0.149 nan 8.230 nan 0.000 0.484 526 K N 0.882 121.398 120.400 0.193 0.000 2.378 526 K HA 0.020 4.339 4.320 -0.001 0.000 0.288 526 K C -0.867 175.985 176.600 0.420 0.000 1.057 526 K CA -0.545 55.933 56.287 0.319 0.000 0.971 526 K CB 0.379 33.006 32.500 0.212 0.000 0.975 526 K HN -0.094 nan 8.250 nan 0.000 0.475 527 W N 3.685 125.158 121.300 0.288 0.000 2.170 527 W HA 0.273 4.932 4.660 -0.002 0.000 0.336 527 W C 1.196 177.892 176.519 0.295 0.000 1.283 527 W CA 1.303 58.866 57.345 0.363 0.000 1.224 527 W CB 0.203 29.936 29.460 0.455 0.000 1.132 527 W HN 1.002 nan 8.180 nan 0.000 0.571 528 G N 1.800 110.861 108.800 0.436 0.000 2.564 528 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.273 528 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.273 528 G C 0.476 175.122 174.900 -0.424 0.000 1.242 528 G CA 1.135 46.195 45.100 -0.067 0.000 0.951 528 G HN 0.801 nan 8.290 nan 0.000 0.564 529 D N -2.801 116.796 120.400 -1.338 0.000 4.566 529 D HA -0.176 4.463 4.640 -0.001 0.000 0.168 529 D C 2.070 178.087 176.300 -0.472 0.000 0.658 529 D CA 4.080 57.566 54.000 -0.857 0.000 1.285 529 D CB -1.594 39.021 40.800 -0.307 0.000 0.770 529 D HN 1.831 nan 8.370 nan 0.000 0.517 530 A N -0.442 122.185 122.820 -0.322 0.000 2.067 530 A HA 0.292 4.612 4.320 -0.001 0.000 0.217 530 A C 1.080 178.211 177.584 -0.754 0.000 1.156 530 A CA 1.134 52.869 52.037 -0.504 0.000 0.683 530 A CB -0.266 18.403 19.000 -0.551 0.000 0.808 530 A HN 0.237 nan 8.150 nan 0.000 0.455 531 F N -1.063 118.782 119.950 -0.174 0.000 2.572 531 F HA 0.528 5.055 4.527 -0.000 0.000 0.342 531 F C 0.743 176.456 175.800 -0.145 0.000 1.064 531 F CA -0.417 57.434 58.000 -0.249 0.000 1.008 531 F CB 1.195 40.120 39.000 -0.125 0.000 1.303 531 F HN -0.128 nan 8.300 nan 0.000 0.492 532 T N -1.716 112.939 114.554 0.169 0.000 2.791 532 T HA 0.356 4.705 4.350 -0.001 0.000 0.288 532 T C -0.526 174.456 174.700 0.470 0.000 0.999 532 T CA -0.521 61.739 62.100 0.268 0.000 0.952 532 T CB 0.571 69.536 68.868 0.162 0.000 0.938 532 T HN 0.710 nan 8.240 nan 0.000 0.444 533 E N 1.650 122.127 120.200 0.461 0.000 2.228 533 E HA -0.131 4.218 4.350 -0.001 0.000 0.213 533 E C 0.333 177.118 176.600 0.309 0.000 1.282 533 E CA 0.791 57.477 56.400 0.478 0.000 0.707 533 E CB -1.559 28.315 29.700 0.290 0.000 1.150 533 E HN 1.252 nan 8.360 nan 0.000 0.362 534 G N 0.272 109.167 108.800 0.158 0.000 2.355 534 G HA2 0.350 4.309 3.960 -0.001 0.000 0.296 534 G HA3 0.350 4.309 3.960 -0.001 0.000 0.296 534 G C -1.163 173.592 174.900 -0.242 0.000 1.507 534 G CA -0.432 44.422 45.100 -0.411 0.000 0.823 534 G HN 0.141 nan 8.290 nan 0.000 0.569 535 N N -1.234 117.165 118.700 -0.502 0.000 2.671 535 N HA 0.587 5.326 4.740 -0.001 0.000 0.303 535 N C 1.405 176.373 175.510 -0.903 0.000 1.277 535 N CA 0.133 52.883 53.050 -0.501 0.000 0.933 535 N CB 1.171 39.430 38.487 -0.380 0.000 1.190 535 N HN 0.506 nan 8.380 nan 0.000 0.600 536 S N -1.123 113.993 115.700 -0.972 0.000 2.383 536 S HA -0.129 4.341 4.470 -0.001 0.000 0.229 536 S C 1.055 175.222 174.600 -0.721 0.000 1.030 536 S CA 1.140 58.728 58.200 -1.019 0.000 1.002 536 S CB -0.646 62.290 63.200 -0.440 0.000 0.829 536 S HN 0.567 nan 8.310 nan 0.000 0.467 537 W N 0.932 121.889 121.300 -0.572 0.000 2.387 537 W HA -0.046 4.613 4.660 -0.001 0.000 0.272 537 W C 2.134 178.472 176.519 -0.302 0.000 1.224 537 W CA 1.260 58.345 57.345 -0.434 0.000 1.210 537 W CB -0.363 28.844 29.460 -0.421 0.000 1.125 537 W HN 0.606 nan 8.180 nan 0.000 0.572 538 H N -4.220 114.808 119.070 -0.071 0.000 2.451 538 H HA 0.023 4.578 4.556 -0.001 0.000 0.294 538 H C 1.343 176.609 175.328 -0.104 0.000 1.028 538 H CA 1.147 57.152 56.048 -0.072 0.000 1.349 538 H CB -0.401 29.186 29.762 -0.291 0.000 1.444 538 H HN 0.070 nan 8.280 nan 0.000 0.538 539 Y N 0.712 120.892 120.300 -0.200 0.000 2.475 539 Y HA -0.103 4.447 4.550 -0.001 0.000 0.289 539 Y C 2.315 178.093 175.900 -0.203 0.000 1.121 539 Y CA 0.679 58.699 58.100 -0.134 0.000 1.257 539 Y CB 0.309 38.703 38.460 -0.109 0.000 1.026 539 Y HN 0.121 nan 8.280 nan 0.000 0.555 540 T N -0.562 113.761 114.554 -0.384 0.000 2.737 540 T HA -0.269 4.080 4.350 -0.001 0.000 0.269 540 T C 0.878 175.251 174.700 -0.544 0.000 1.040 540 T CA 1.982 63.728 62.100 -0.590 0.000 1.142 540 T CB -0.541 67.699 68.868 -1.047 0.000 0.861 540 T HN 0.514 nan 8.240 nan 0.000 0.456 541 W N 1.478 122.726 121.300 -0.086 0.000 3.204 541 W HA 0.262 4.921 4.660 -0.002 0.000 0.249 541 W C 1.306 177.749 176.519 -0.127 0.000 1.322 541 W CA -0.493 56.800 57.345 -0.087 0.000 1.593 541 W CB -0.507 28.863 29.460 -0.150 0.000 1.122 541 W HN -0.029 nan 8.180 nan 0.000 0.710 542 S N 1.101 116.734 115.700 -0.112 0.000 3.544 542 S HA 0.161 4.630 4.470 -0.001 0.000 0.227 542 S C 0.374 174.573 174.600 -0.668 0.000 1.387 542 S CA 0.044 57.920 58.200 -0.540 0.000 1.182 542 S CB -0.511 62.658 63.200 -0.052 0.000 1.243 542 S HN -0.005 nan 8.310 nan 0.000 0.467 543 V N 2.242 121.744 119.914 -0.687 0.000 2.572 543 V HA 0.224 4.343 4.120 -0.001 0.000 0.274 543 V C 0.463 176.304 176.094 -0.421 0.000 1.075 543 V CA -0.425 61.557 62.300 -0.529 0.000 1.237 543 V CB -0.808 30.601 31.823 -0.689 0.000 1.517 543 V HN 0.601 nan 8.190 nan 0.000 0.616 544 F N 0.509 120.386 119.950 -0.120 0.000 2.202 544 F HA -0.183 4.344 4.527 -0.001 0.000 0.301 544 F C 2.496 178.211 175.800 -0.142 0.000 1.082 544 F CA 1.875 59.737 58.000 -0.230 0.000 1.313 544 F CB -0.405 38.260 39.000 -0.559 0.000 1.024 544 F HN 0.605 nan 8.300 nan 0.000 0.495 545 H N -2.197 116.793 119.070 -0.133 0.000 2.563 545 H HA 0.151 4.707 4.556 -0.001 0.000 0.264 545 H C -0.142 175.088 175.328 -0.163 0.000 0.957 545 H CA 0.855 56.665 56.048 -0.396 0.000 1.173 545 H CB -0.154 29.053 29.762 -0.925 0.000 1.420 545 H HN 0.195 nan 8.280 nan 0.000 0.551 546 D N 0.348 120.423 120.400 -0.543 0.000 3.060 546 D HA 0.217 4.856 4.640 -0.001 0.000 0.326 546 D C -2.131 173.919 176.300 -0.416 0.000 1.253 546 D CA -1.734 52.007 54.000 -0.432 0.000 0.737 546 D CB 0.889 41.446 40.800 -0.405 0.000 1.260 546 D HN 0.020 nan 8.370 nan 0.000 0.542 547 P HA -0.130 nan 4.420 nan 0.000 0.218 547 P C 1.377 178.461 177.300 -0.360 0.000 1.149 547 P CA 0.910 63.749 63.100 -0.435 0.000 0.817 547 P CB 0.492 31.709 31.700 -0.805 0.000 0.785 548 Q N 0.252 119.914 119.800 -0.229 0.000 2.079 548 Q HA -0.077 4.262 4.340 -0.001 0.000 0.200 548 Q C 2.200 178.097 176.000 -0.171 0.000 0.974 548 Q CA 2.246 57.940 55.803 -0.182 0.000 0.840 548 Q CB -1.604 27.074 28.738 -0.099 0.000 0.898 548 Q HN 0.155 nan 8.270 nan 0.000 0.430 549 G N 0.731 109.449 108.800 -0.137 0.000 2.469 549 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.219 549 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.219 549 G C 1.329 176.198 174.900 -0.051 0.000 1.150 549 G CA 1.081 46.157 45.100 -0.039 0.000 0.763 549 G HN 0.423 nan 8.290 nan 0.000 0.561 550 L N 0.499 121.639 121.223 -0.139 0.000 2.109 550 L HA 0.210 4.550 4.340 -0.001 0.000 0.207 550 L C 2.663 179.472 176.870 -0.102 0.000 1.086 550 L CA 1.038 55.804 54.840 -0.124 0.000 0.760 550 L CB -0.350 41.651 42.059 -0.096 0.000 0.910 550 L HN 0.256 nan 8.230 nan 0.000 0.437 551 I N -0.061 120.373 120.570 -0.226 0.000 2.118 551 I HA -0.368 3.802 4.170 -0.001 0.000 0.241 551 I C 2.080 178.144 176.117 -0.089 0.000 1.070 551 I CA 1.672 62.834 61.300 -0.232 0.000 1.327 551 I CB -0.588 37.155 38.000 -0.427 0.000 1.034 551 I HN 0.303 nan 8.210 nan 0.000 0.405 552 D N 0.812 121.140 120.400 -0.119 0.000 2.106 552 D HA -0.192 4.447 4.640 -0.001 0.000 0.191 552 D C 2.316 178.532 176.300 -0.140 0.000 0.997 552 D CA 1.311 55.252 54.000 -0.099 0.000 0.834 552 D CB -0.551 40.191 40.800 -0.097 0.000 0.956 552 D HN 0.287 nan 8.370 nan 0.000 0.448 553 L N 0.105 121.173 121.223 -0.258 0.000 2.051 553 L HA -0.196 4.143 4.340 -0.001 0.000 0.214 553 L C 2.513 179.115 176.870 -0.446 0.000 1.076 553 L CA 1.128 55.630 54.840 -0.562 0.000 0.758 553 L CB -0.323 41.095 42.059 -1.069 0.000 0.890 553 L HN 0.087 nan 8.230 nan 0.000 0.433 554 M N -1.023 118.474 119.600 -0.171 0.000 2.562 554 M HA 0.067 4.547 4.480 -0.001 0.000 0.257 554 M C 1.029 177.397 176.300 0.114 0.000 1.099 554 M CA 0.905 56.283 55.300 0.130 0.000 1.099 554 M CB -0.113 32.634 32.600 0.246 0.000 1.427 554 M HN 0.436 nan 8.290 nan 0.000 0.489 555 G N 1.540 110.366 108.800 0.043 0.000 2.370 555 G HA2 0.092 4.051 3.960 -0.001 0.000 0.268 555 G HA3 0.092 4.051 3.960 -0.001 0.000 0.268 555 G C 0.186 175.124 174.900 0.063 0.000 1.122 555 G CA -0.056 45.071 45.100 0.045 0.000 0.963 555 G HN 0.923 nan 8.290 nan 0.000 0.500 556 G N -0.425 108.407 108.800 0.053 0.000 2.576 556 G HA2 0.351 4.310 3.960 -0.001 0.000 0.686 556 G HA3 0.351 4.310 3.960 -0.001 0.000 0.686 556 G C 0.756 175.720 174.900 0.106 0.000 1.242 556 G CA 0.303 45.440 45.100 0.062 0.000 0.819 556 G HN 1.501 nan 8.290 nan 0.000 0.655 557 K N 0.171 120.621 120.400 0.083 0.000 2.103 557 K HA -0.109 4.210 4.320 -0.001 0.000 0.207 557 K C 1.721 178.448 176.600 0.212 0.000 1.048 557 K CA 1.786 58.148 56.287 0.125 0.000 0.930 557 K CB 0.077 32.629 32.500 0.085 0.000 0.716 557 K HN 0.543 nan 8.250 nan 0.000 0.444 558 E N 0.575 120.874 120.200 0.166 0.000 2.150 558 E HA -0.095 4.255 4.350 -0.001 0.000 0.193 558 E C 2.015 178.724 176.600 0.182 0.000 0.985 558 E CA 0.968 57.468 56.400 0.167 0.000 0.814 558 E CB 0.060 29.838 29.700 0.129 0.000 0.752 558 E HN 0.448 nan 8.360 nan 0.000 0.466 559 M N -0.624 119.089 119.600 0.188 0.000 2.287 559 M HA -0.027 4.452 4.480 -0.001 0.000 0.266 559 M C 2.058 178.499 176.300 0.235 0.000 1.079 559 M CA 0.564 55.974 55.300 0.184 0.000 1.146 559 M CB -0.219 32.473 32.600 0.154 0.000 1.374 559 M HN 0.112 nan 8.290 nan 0.000 0.435 560 F N 1.052 121.076 119.950 0.123 0.000 2.171 560 F HA -0.168 4.358 4.527 -0.002 0.000 0.300 560 F C 1.999 177.899 175.800 0.166 0.000 1.090 560 F CA 1.287 59.379 58.000 0.153 0.000 1.293 560 F CB -0.057 39.014 39.000 0.118 0.000 1.013 560 F HN -0.219 nan 8.300 nan 0.000 0.486 561 V N -0.451 119.640 119.914 0.295 0.000 2.453 561 V HA -0.244 3.875 4.120 -0.001 0.000 0.247 561 V C 2.223 178.423 176.094 0.176 0.000 1.048 561 V CA 2.254 64.694 62.300 0.232 0.000 1.049 561 V CB -0.763 31.227 31.823 0.278 0.000 0.672 561 V HN 0.403 nan 8.190 nan 0.000 0.457 562 T N -0.280 114.376 114.554 0.169 0.000 2.821 562 T HA -0.148 4.201 4.350 -0.001 0.000 0.267 562 T C 1.981 176.780 174.700 0.165 0.000 1.046 562 T CA 1.246 63.442 62.100 0.160 0.000 1.139 562 T CB -0.240 68.716 68.868 0.148 0.000 0.871 562 T HN 0.167 nan 8.240 nan 0.000 0.454 563 M N 0.689 120.385 119.600 0.160 0.000 2.117 563 M HA 0.068 4.548 4.480 -0.001 0.000 0.262 563 M C 2.330 178.794 176.300 0.273 0.000 1.065 563 M CA 1.500 56.953 55.300 0.255 0.000 1.114 563 M CB -1.000 31.716 32.600 0.194 0.000 1.361 563 M HN 0.319 nan 8.290 nan 0.000 0.408 564 M N -0.300 119.291 119.600 -0.015 0.000 2.132 564 M HA -0.208 4.271 4.480 -0.001 0.000 0.263 564 M C 1.526 177.819 176.300 -0.012 0.000 1.065 564 M CA 1.395 56.516 55.300 -0.298 0.000 1.122 564 M CB -0.694 31.482 32.600 -0.706 0.000 1.365 564 M HN 0.158 nan 8.290 nan 0.000 0.411 565 D N 0.438 120.941 120.400 0.171 0.000 2.144 565 D HA -0.120 4.519 4.640 -0.001 0.000 0.199 565 D C 2.136 178.531 176.300 0.159 0.000 0.984 565 D CA 1.867 56.029 54.000 0.270 0.000 0.834 565 D CB -0.340 40.613 40.800 0.254 0.000 0.955 565 D HN 0.388 nan 8.370 nan 0.000 0.465 566 S N 0.060 115.813 115.700 0.089 0.000 2.419 566 S HA -0.112 4.358 4.470 -0.001 0.000 0.233 566 S C 2.226 176.687 174.600 -0.232 0.000 1.016 566 S CA 0.659 58.836 58.200 -0.038 0.000 0.974 566 S CB -0.614 62.577 63.200 -0.014 0.000 0.786 566 S HN 0.076 nan 8.310 nan 0.000 0.492 567 V N 0.998 120.777 119.914 -0.225 0.000 2.282 567 V HA -0.173 3.946 4.120 -0.001 0.000 0.249 567 V C 2.229 178.041 176.094 -0.471 0.000 1.057 567 V CA 2.178 64.232 62.300 -0.411 0.000 1.032 567 V CB -0.965 30.563 31.823 -0.493 0.000 0.645 567 V HN 0.536 nan 8.190 nan 0.000 0.447 568 F N 0.064 119.852 119.950 -0.270 0.000 2.367 568 F HA 0.134 4.661 4.527 -0.001 0.000 0.298 568 F C 2.229 177.953 175.800 -0.128 0.000 1.094 568 F CA 0.969 58.770 58.000 -0.331 0.000 1.409 568 F CB -0.663 37.902 39.000 -0.725 0.000 1.064 568 F HN 0.093 nan 8.300 nan 0.000 0.528 569 A N 0.076 122.943 122.820 0.077 0.000 2.030 569 A HA 0.168 4.487 4.320 -0.001 0.000 0.215 569 A C 1.043 178.627 177.584 0.001 0.000 1.164 569 A CA 0.569 52.653 52.037 0.079 0.000 0.697 569 A CB -1.003 18.047 19.000 0.084 0.000 0.827 569 A HN 0.061 nan 8.150 nan 0.000 0.457 570 V N -2.296 117.563 119.914 -0.092 0.000 3.003 570 V HA 0.386 4.505 4.120 -0.001 0.000 0.305 570 V C -2.482 173.571 176.094 -0.070 0.000 1.078 570 V CA -2.339 59.886 62.300 -0.126 0.000 1.083 570 V CB 0.109 31.767 31.823 -0.275 0.000 1.039 570 V HN 0.212 nan 8.190 nan 0.000 0.481 571 P HA 0.239 nan 4.420 nan 0.000 0.270 571 P C -2.522 174.776 177.300 -0.004 0.000 1.223 571 P CA -1.539 61.554 63.100 -0.011 0.000 0.785 571 P CB -0.313 31.381 31.700 -0.010 0.000 0.923 572 P HA 0.140 nan 4.420 nan 0.000 0.220 572 P C 0.180 177.597 177.300 0.195 0.000 1.778 572 P CA -0.229 62.938 63.100 0.113 0.000 0.912 572 P CB -0.793 30.980 31.700 0.123 0.000 1.861 573 I N -0.489 120.147 120.570 0.109 0.000 2.823 573 I HA 0.593 4.762 4.170 -0.001 0.000 0.290 573 I C -0.367 175.873 176.117 0.206 0.000 1.091 573 I CA -0.543 60.800 61.300 0.071 0.000 1.365 573 I CB 0.179 38.135 38.000 -0.073 0.000 1.427 573 I HN -0.024 nan 8.210 nan 0.000 0.583 574 F N 1.663 121.664 119.950 0.084 0.000 2.662 574 F HA 0.657 5.183 4.527 -0.002 0.000 0.312 574 F C -1.502 174.369 175.800 0.119 0.000 1.113 574 F CA -1.159 56.941 58.000 0.166 0.000 0.951 574 F CB 0.998 40.034 39.000 0.060 0.000 1.344 574 F HN 0.554 nan 8.300 nan 0.000 0.462 575 D N 1.084 121.693 120.400 0.348 0.000 2.408 575 D HA 0.254 4.893 4.640 -0.001 0.000 0.243 575 D C -0.592 175.973 176.300 0.442 0.000 1.075 575 D CA -0.473 53.679 54.000 0.254 0.000 0.832 575 D CB 1.525 42.435 40.800 0.184 0.000 1.162 575 D HN 0.705 nan 8.370 nan 0.000 0.515 576 D N 1.089 121.737 120.400 0.413 0.000 2.440 576 D HA -0.043 4.597 4.640 -0.001 0.000 0.216 576 D C 1.131 177.628 176.300 0.328 0.000 1.150 576 D CA -0.010 54.226 54.000 0.393 0.000 0.832 576 D CB -0.164 40.827 40.800 0.318 0.000 0.992 576 D HN 0.202 nan 8.370 nan 0.000 0.502 577 S N -0.552 115.302 115.700 0.258 0.000 2.442 577 S HA -0.245 4.224 4.470 -0.001 0.000 0.236 577 S C 1.890 176.587 174.600 0.161 0.000 1.007 577 S CA 0.427 58.733 58.200 0.177 0.000 0.965 577 S CB -0.939 62.345 63.200 0.140 0.000 0.773 577 S HN 0.404 nan 8.310 nan 0.000 0.504 578 Y N 1.406 121.739 120.300 0.056 0.000 2.314 578 Y HA -0.006 4.543 4.550 -0.001 0.000 0.293 578 Y C 1.598 177.361 175.900 -0.228 0.000 1.129 578 Y CA 1.082 59.113 58.100 -0.115 0.000 1.201 578 Y CB -0.311 38.030 38.460 -0.198 0.000 0.999 578 Y HN 0.269 nan 8.280 nan 0.000 0.541 579 Y N -0.706 119.626 120.300 0.052 0.000 2.490 579 Y HA 0.237 4.786 4.550 -0.001 0.000 0.285 579 Y C 2.200 178.073 175.900 -0.045 0.000 1.117 579 Y CA 0.592 58.659 58.100 -0.055 0.000 1.262 579 Y CB -0.217 38.250 38.460 0.013 0.000 1.043 579 Y HN 0.162 nan 8.280 nan 0.000 0.553 580 G N 0.525 109.403 108.800 0.130 0.000 2.189 580 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.267 580 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.267 580 G C 0.029 174.989 174.900 0.101 0.000 0.975 580 G CA 0.588 45.741 45.100 0.089 0.000 0.644 580 G HN 0.508 nan 8.290 nan 0.000 0.537 581 Q N -2.024 117.850 119.800 0.123 0.000 2.578 581 Q HA 0.570 4.909 4.340 -0.001 0.000 0.284 581 Q C -0.710 175.287 176.000 -0.006 0.000 0.960 581 Q CA -0.974 54.873 55.803 0.075 0.000 0.809 581 Q CB 1.398 30.183 28.738 0.079 0.000 1.462 581 Q HN 0.451 nan 8.270 nan 0.000 0.392 582 V N 3.252 123.130 119.914 -0.060 0.000 2.242 582 V HA 0.123 4.242 4.120 -0.001 0.000 0.242 582 V C 0.876 176.797 176.094 -0.288 0.000 1.240 582 V CA -0.214 61.935 62.300 -0.251 0.000 1.211 582 V CB -1.763 29.928 31.823 -0.219 0.000 1.338 582 V HN 0.673 nan 8.190 nan 0.000 0.499 583 I N 0.513 120.847 120.570 -0.394 0.000 2.948 583 I HA 0.072 4.241 4.170 -0.001 0.000 0.290 583 I C 1.824 177.661 176.117 -0.467 0.000 1.226 583 I CA 0.060 61.096 61.300 -0.440 0.000 1.413 583 I CB 0.248 37.848 38.000 -0.667 0.000 1.352 583 I HN 0.712 nan 8.210 nan 0.000 0.597 584 H N 1.838 120.678 119.070 -0.383 0.000 2.422 584 H HA -0.140 4.415 4.556 -0.001 0.000 0.298 584 H C 1.491 176.657 175.328 -0.271 0.000 1.098 584 H CA 1.805 57.689 56.048 -0.272 0.000 1.315 584 H CB -0.396 29.265 29.762 -0.170 0.000 1.382 584 H HN 0.770 nan 8.280 nan 0.000 0.523 585 E N 0.688 120.364 120.200 -0.873 0.000 2.110 585 E HA -0.074 4.276 4.350 -0.001 0.000 0.193 585 E C 2.080 178.403 176.600 -0.462 0.000 0.988 585 E CA 1.496 57.574 56.400 -0.538 0.000 0.804 585 E CB -0.083 29.371 29.700 -0.410 0.000 0.745 585 E HN 0.634 nan 8.360 nan 0.000 0.458 586 I N 0.011 120.074 120.570 -0.845 0.000 2.233 586 I HA -0.198 3.971 4.170 -0.001 0.000 0.243 586 I C 2.403 178.163 176.117 -0.595 0.000 1.093 586 I CA 0.718 61.380 61.300 -1.062 0.000 1.380 586 I CB -0.100 36.992 38.000 -1.513 0.000 1.067 586 I HN -0.012 nan 8.210 nan 0.000 0.413 587 R N 1.498 121.713 120.500 -0.475 0.000 2.105 587 R HA -0.203 4.136 4.340 -0.001 0.000 0.239 587 R C 1.991 178.200 176.300 -0.152 0.000 1.135 587 R CA 1.699 57.636 56.100 -0.273 0.000 0.967 587 R CB -0.352 29.841 30.300 -0.178 0.000 0.861 587 R HN 0.365 nan 8.270 nan 0.000 0.442 588 E N -0.509 119.615 120.200 -0.128 0.000 2.110 588 E HA -0.222 4.128 4.350 -0.001 0.000 0.193 588 E C 1.910 178.480 176.600 -0.050 0.000 0.988 588 E CA 1.613 57.979 56.400 -0.057 0.000 0.804 588 E CB -0.195 29.489 29.700 -0.027 0.000 0.745 588 E HN 0.370 nan 8.360 nan 0.000 0.458 589 M N 0.811 120.373 119.600 -0.063 0.000 2.059 589 M HA -0.197 4.282 4.480 -0.001 0.000 0.259 589 M C 2.446 178.752 176.300 0.010 0.000 1.072 589 M CA 2.303 57.598 55.300 -0.008 0.000 1.117 589 M CB -0.457 32.190 32.600 0.077 0.000 1.320 589 M HN 0.225 nan 8.290 nan 0.000 0.408 590 T N -1.017 113.527 114.554 -0.017 0.000 2.737 590 T HA -0.141 4.208 4.350 -0.001 0.000 0.269 590 T C 1.502 176.222 174.700 0.032 0.000 1.040 590 T CA 1.877 63.993 62.100 0.027 0.000 1.142 590 T CB -1.714 67.161 68.868 0.012 0.000 0.861 590 T HN 0.500 nan 8.240 nan 0.000 0.456 591 V N -1.728 118.192 119.914 0.011 0.000 3.380 591 V HA 0.221 4.340 4.120 -0.001 0.000 0.268 591 V C 2.122 178.235 176.094 0.032 0.000 1.168 591 V CA 0.652 62.964 62.300 0.020 0.000 1.156 591 V CB -0.962 30.866 31.823 0.009 0.000 0.785 591 V HN 0.285 nan 8.190 nan 0.000 0.487 592 M N 0.567 120.191 119.600 0.039 0.000 2.509 592 M HA 0.271 4.750 4.480 -0.001 0.000 0.250 592 M C 1.082 177.430 176.300 0.080 0.000 1.132 592 M CA 0.416 55.748 55.300 0.054 0.000 1.080 592 M CB -1.303 31.329 32.600 0.052 0.000 1.408 592 M HN 0.673 nan 8.290 nan 0.000 0.484 593 N N 1.500 120.251 118.700 0.084 0.000 2.727 593 N HA -0.188 4.551 4.740 -0.001 0.000 0.251 593 N C -0.551 175.046 175.510 0.145 0.000 1.040 593 N CA 0.604 53.715 53.050 0.100 0.000 0.712 593 N CB -0.857 37.683 38.487 0.088 0.000 0.912 593 N HN 0.449 nan 8.380 nan 0.000 0.545 594 M N -0.378 119.314 119.600 0.154 0.000 3.181 594 M HA 0.269 4.748 4.480 -0.001 0.000 0.422 594 M C 1.277 177.667 176.300 0.151 0.000 1.481 594 M CA 0.116 55.547 55.300 0.217 0.000 0.783 594 M CB 0.543 33.313 32.600 0.284 0.000 1.437 594 M HN 0.401 nan 8.290 nan 0.000 0.505 595 G N 2.103 110.961 108.800 0.097 0.000 2.583 595 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.292 595 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.292 595 G C 0.285 175.188 174.900 0.004 0.000 1.203 595 G CA 0.295 45.407 45.100 0.019 0.000 0.987 595 G HN 0.572 nan 8.290 nan 0.000 0.554 596 N N 0.215 118.866 118.700 -0.082 0.000 2.295 596 N HA 0.114 4.853 4.740 -0.001 0.000 0.221 596 N C -0.323 175.211 175.510 0.039 0.000 1.129 596 N CA -0.055 52.992 53.050 -0.005 0.000 0.836 596 N CB 0.100 38.501 38.487 -0.144 0.000 1.040 596 N HN 0.432 nan 8.380 nan 0.000 0.494 597 Y N 1.742 121.912 120.300 -0.217 0.000 2.585 597 Y HA 0.324 4.875 4.550 0.000 0.000 0.354 597 Y C -0.033 175.810 175.900 -0.094 0.000 1.024 597 Y CA -1.069 56.867 58.100 -0.272 0.000 1.321 597 Y CB 0.143 38.313 38.460 -0.483 0.000 1.151 597 Y HN 0.006 nan 8.280 nan 0.000 0.525 598 A N 5.489 127.991 122.820 -0.530 0.000 3.094 598 A HA 0.150 4.470 4.320 -0.001 0.000 0.288 598 A C 0.947 178.153 177.584 -0.629 0.000 1.519 598 A CA -0.350 51.403 52.037 -0.475 0.000 1.227 598 A CB -0.956 17.742 19.000 -0.503 0.000 1.175 598 A HN 1.043 nan 8.150 nan 0.000 0.568 599 H N 1.792 120.370 119.070 -0.820 0.000 2.456 599 H HA -0.071 4.484 4.556 -0.001 0.000 0.296 599 H C 1.995 177.083 175.328 -0.401 0.000 1.079 599 H CA 2.151 57.774 56.048 -0.710 0.000 1.322 599 H CB 0.231 29.686 29.762 -0.513 0.000 1.388 599 H HN 0.561 nan 8.280 nan 0.000 0.538 600 G N -0.683 107.968 108.800 -0.248 0.000 2.708 600 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.210 600 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.210 600 G C 0.283 175.089 174.900 -0.158 0.000 1.141 600 G CA 0.256 45.253 45.100 -0.171 0.000 0.788 600 G HN 0.315 nan 8.290 nan 0.000 0.531 601 N N -1.886 116.678 118.700 -0.227 0.000 2.380 601 N HA 0.375 5.114 4.740 -0.001 0.000 0.290 601 N C 0.881 176.256 175.510 -0.225 0.000 1.236 601 N CA -0.688 52.280 53.050 -0.137 0.000 0.780 601 N CB 1.686 40.144 38.487 -0.049 0.000 1.438 601 N HN -0.189 nan 8.380 nan 0.000 0.491 602 Q N 0.339 120.050 119.800 -0.149 0.000 2.083 602 Q HA 0.151 4.490 4.340 -0.001 0.000 0.198 602 Q C -1.185 174.614 176.000 -0.335 0.000 0.969 602 Q CA 1.612 57.235 55.803 -0.300 0.000 0.838 602 Q CB -0.906 27.549 28.738 -0.472 0.000 0.900 602 Q HN 0.575 nan 8.270 nan 0.000 0.436 603 P HA -0.194 nan 4.420 nan 0.000 0.218 603 P C 0.846 178.073 177.300 -0.121 0.000 1.154 603 P CA 1.269 64.139 63.100 -0.383 0.000 0.872 603 P CB 0.068 31.413 31.700 -0.593 0.000 0.790 604 I N -1.544 118.937 120.570 -0.148 0.000 3.883 604 I HA -0.003 4.167 4.170 -0.001 0.000 0.326 604 I C 1.729 177.842 176.117 -0.007 0.000 1.283 604 I CA 0.308 61.563 61.300 -0.074 0.000 1.161 604 I CB -0.122 37.762 38.000 -0.194 0.000 1.012 604 I HN -0.122 nan 8.210 nan 0.000 0.421 605 Q N -0.013 119.796 119.800 0.016 0.000 2.364 605 Q HA -0.200 4.140 4.340 -0.001 0.000 0.207 605 Q C 1.596 177.831 176.000 0.391 0.000 0.970 605 Q CA 1.133 56.970 55.803 0.056 0.000 0.888 605 Q CB -0.037 28.634 28.738 -0.111 0.000 0.951 605 Q HN 0.707 nan 8.270 nan 0.000 0.469 606 H N -1.262 117.966 119.070 0.263 0.000 2.562 606 H HA 0.120 4.675 4.556 -0.000 0.000 0.267 606 H C 1.774 177.285 175.328 0.306 0.000 0.959 606 H CA 0.086 56.317 56.048 0.305 0.000 1.204 606 H CB -0.297 29.709 29.762 0.406 0.000 1.430 606 H HN 0.157 nan 8.280 nan 0.000 0.545 607 M N 1.313 120.645 119.600 -0.447 0.000 2.108 607 M HA -0.167 4.313 4.480 -0.001 0.000 0.257 607 M C 1.902 178.042 176.300 -0.267 0.000 1.071 607 M CA 1.641 56.605 55.300 -0.559 0.000 1.093 607 M CB -0.226 32.007 32.600 -0.611 0.000 1.345 607 M HN 0.249 nan 8.290 nan 0.000 0.403 608 I N -0.830 119.711 120.570 -0.047 0.000 2.226 608 I HA -0.331 3.839 4.170 -0.001 0.000 0.245 608 I C 1.962 178.137 176.117 0.098 0.000 1.100 608 I CA 1.435 62.741 61.300 0.010 0.000 1.374 608 I CB -0.752 37.268 38.000 0.032 0.000 1.057 608 I HN 0.249 nan 8.210 nan 0.000 0.413 609 Y N 0.119 120.514 120.300 0.160 0.000 2.384 609 Y HA -0.218 4.333 4.550 0.001 0.000 0.289 609 Y C 2.238 178.334 175.900 0.327 0.000 1.152 609 Y CA 0.681 58.930 58.100 0.249 0.000 1.258 609 Y CB -0.381 38.243 38.460 0.275 0.000 0.979 609 Y HN 0.106 nan 8.280 nan 0.000 0.549 610 L N -1.393 120.034 121.223 0.339 0.000 2.261 610 L HA -0.244 4.095 4.340 -0.001 0.000 0.216 610 L C 1.697 178.789 176.870 0.370 0.000 1.114 610 L CA 1.362 56.394 54.840 0.321 0.000 0.777 610 L CB -1.389 40.743 42.059 0.121 0.000 0.910 610 L HN 0.266 nan 8.230 nan 0.000 0.440 611 Y N -0.077 120.365 120.300 0.237 0.000 2.384 611 Y HA -0.251 4.299 4.550 -0.000 0.000 0.289 611 Y C 2.256 178.229 175.900 0.122 0.000 1.152 611 Y CA 1.188 59.372 58.100 0.141 0.000 1.258 611 Y CB -0.534 37.936 38.460 0.016 0.000 0.979 611 Y HN 0.294 nan 8.280 nan 0.000 0.549 612 D N -1.577 119.038 120.400 0.358 0.000 2.117 612 D HA -0.177 4.463 4.640 -0.001 0.000 0.198 612 D C 1.696 178.092 176.300 0.160 0.000 0.982 612 D CA 1.386 55.524 54.000 0.229 0.000 0.828 612 D CB -0.541 40.391 40.800 0.220 0.000 0.967 612 D HN 0.342 nan 8.370 nan 0.000 0.464 613 Y N 0.342 120.710 120.300 0.114 0.000 2.497 613 Y HA 0.129 4.678 4.550 -0.002 0.000 0.292 613 Y C 1.922 177.794 175.900 -0.046 0.000 1.137 613 Y CA 0.631 58.743 58.100 0.020 0.000 1.285 613 Y CB -0.162 38.269 38.460 -0.049 0.000 0.991 613 Y HN -0.070 nan 8.280 nan 0.000 0.556 614 A N -0.505 122.406 122.820 0.152 0.000 2.460 614 A HA 0.508 4.827 4.320 -0.001 0.000 0.258 614 A C 1.657 179.298 177.584 0.094 0.000 1.300 614 A CA 0.319 52.413 52.037 0.095 0.000 0.913 614 A CB -0.902 18.217 19.000 0.199 0.000 1.031 614 A HN 0.437 nan 8.150 nan 0.000 0.512 615 G N -0.061 108.788 108.800 0.082 0.000 2.314 615 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.292 615 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.292 615 G C 0.010 174.889 174.900 -0.034 0.000 1.059 615 G CA 0.492 45.638 45.100 0.076 0.000 0.982 615 G HN 0.619 nan 8.290 nan 0.000 0.505 616 Q N -1.195 118.465 119.800 -0.234 0.000 2.409 616 Q HA 0.121 4.460 4.340 -0.001 0.000 0.345 616 Q C -1.681 173.843 176.000 -0.793 0.000 0.847 616 Q CA -1.012 54.184 55.803 -1.012 0.000 1.092 616 Q CB 1.654 29.867 28.738 -0.874 0.000 1.377 616 Q HN 0.424 nan 8.270 nan 0.000 0.399 617 P HA -0.181 nan 4.420 nan 0.000 0.221 617 P C 0.972 178.300 177.300 0.047 0.000 1.145 617 P CA 1.051 64.160 63.100 0.015 0.000 0.795 617 P CB -0.250 31.549 31.700 0.166 0.000 0.775 618 W N 1.270 122.641 121.300 0.120 0.000 2.421 618 W HA 0.027 4.685 4.660 -0.003 0.000 0.270 618 W C 1.657 178.260 176.519 0.140 0.000 1.233 618 W CA 0.734 58.187 57.345 0.180 0.000 1.226 618 W CB -1.351 28.175 29.460 0.110 0.000 1.121 618 W HN -0.149 nan 8.180 nan 0.000 0.579 619 K N 0.631 120.740 120.400 -0.485 0.000 2.116 619 K HA 0.047 4.366 4.320 -0.001 0.000 0.203 619 K C 2.460 178.828 176.600 -0.388 0.000 1.052 619 K CA 1.156 57.102 56.287 -0.568 0.000 0.952 619 K CB -0.422 31.348 32.500 -1.216 0.000 0.729 619 K HN 0.242 nan 8.250 nan 0.000 0.446 620 A N 1.770 124.453 122.820 -0.228 0.000 1.902 620 A HA -0.222 4.098 4.320 -0.001 0.000 0.217 620 A C 2.075 179.627 177.584 -0.054 0.000 1.181 620 A CA 1.310 53.347 52.037 0.001 0.000 0.623 620 A CB -0.462 18.578 19.000 0.066 0.000 0.818 620 A HN 0.295 nan 8.150 nan 0.000 0.443 621 Q N -1.861 117.939 119.800 -0.000 0.000 2.061 621 Q HA -0.237 4.103 4.340 -0.001 0.000 0.204 621 Q C 2.030 177.966 176.000 -0.108 0.000 0.984 621 Q CA 1.959 57.761 55.803 -0.002 0.000 0.846 621 Q CB -0.462 28.353 28.738 0.128 0.000 0.902 621 Q HN 0.835 nan 8.270 nan 0.000 0.421 622 Y N -0.494 119.665 120.300 -0.235 0.000 2.128 622 Y HA -0.269 4.285 4.550 0.005 0.000 0.284 622 Y C 1.490 177.004 175.900 -0.643 0.000 1.154 622 Y CA 1.685 59.490 58.100 -0.491 0.000 1.149 622 Y CB -0.333 37.854 38.460 -0.455 0.000 0.976 622 Y HN 0.133 nan 8.280 nan 0.000 0.505 623 W N -1.145 119.899 121.300 -0.426 0.000 2.523 623 W HA -0.065 4.593 4.660 -0.003 0.000 0.278 623 W C 2.038 178.300 176.519 -0.429 0.000 1.236 623 W CA -0.089 56.916 57.345 -0.566 0.000 1.306 623 W CB -0.284 28.818 29.460 -0.597 0.000 1.101 623 W HN 0.053 nan 8.180 nan 0.000 0.577 624 L N 0.684 121.846 121.223 -0.101 0.000 1.989 624 L HA -0.218 4.121 4.340 -0.001 0.000 0.211 624 L C 2.520 179.315 176.870 -0.125 0.000 1.071 624 L CA 1.809 56.607 54.840 -0.071 0.000 0.749 624 L CB -1.522 40.420 42.059 -0.195 0.000 0.890 624 L HN -0.058 nan 8.230 nan 0.000 0.431 625 R N -0.533 119.773 120.500 -0.323 0.000 2.120 625 R HA -0.128 4.212 4.340 -0.001 0.000 0.234 625 R C 2.153 178.193 176.300 -0.434 0.000 1.123 625 R CA 1.186 57.034 56.100 -0.420 0.000 0.975 625 R CB -0.329 29.573 30.300 -0.663 0.000 0.866 625 R HN 0.410 nan 8.270 nan 0.000 0.446 626 Q N -0.326 119.155 119.800 -0.532 0.000 2.124 626 Q HA -0.086 4.253 4.340 -0.001 0.000 0.202 626 Q C 2.068 177.994 176.000 -0.123 0.000 0.977 626 Q CA 1.636 57.203 55.803 -0.393 0.000 0.850 626 Q CB -0.158 28.311 28.738 -0.448 0.000 0.901 626 Q HN 0.271 nan 8.270 nan 0.000 0.429 627 V N 0.954 120.848 119.914 -0.034 0.000 2.255 627 V HA -0.250 3.869 4.120 -0.001 0.000 0.243 627 V C 2.404 178.593 176.094 0.158 0.000 1.038 627 V CA 1.594 63.920 62.300 0.042 0.000 1.008 627 V CB -0.570 31.247 31.823 -0.010 0.000 0.645 627 V HN 0.307 nan 8.190 nan 0.000 0.449 628 M N -0.149 119.558 119.600 0.179 0.000 2.144 628 M HA -0.246 4.233 4.480 -0.001 0.000 0.260 628 M C 1.899 178.316 176.300 0.196 0.000 1.067 628 M CA 1.995 57.429 55.300 0.224 0.000 1.095 628 M CB -0.606 31.987 32.600 -0.011 0.000 1.365 628 M HN 0.349 nan 8.290 nan 0.000 0.406 629 D N -0.377 120.042 120.400 0.031 0.000 2.123 629 D HA -0.057 4.582 4.640 -0.001 0.000 0.200 629 D C 2.065 178.383 176.300 0.031 0.000 0.976 629 D CA 1.216 55.210 54.000 -0.010 0.000 0.831 629 D CB 0.015 40.743 40.800 -0.119 0.000 0.974 629 D HN 0.352 nan 8.370 nan 0.000 0.469 630 R N -0.944 119.579 120.500 0.037 0.000 2.221 630 R HA 0.231 4.571 4.340 -0.001 0.000 0.195 630 R C 1.598 177.927 176.300 0.048 0.000 0.956 630 R CA 0.109 56.226 56.100 0.029 0.000 1.064 630 R CB 0.228 30.533 30.300 0.010 0.000 1.049 630 R HN 0.037 nan 8.270 nan 0.000 0.534 631 M N -0.053 119.603 119.600 0.092 0.000 2.561 631 M HA 0.163 4.642 4.480 -0.001 0.000 0.238 631 M C -0.622 175.610 176.300 -0.114 0.000 1.131 631 M CA 0.588 55.890 55.300 0.003 0.000 1.046 631 M CB 0.054 32.611 32.600 -0.070 0.000 1.532 631 M HN -0.059 nan 8.290 nan 0.000 0.497 632 Y N -1.310 118.973 120.300 -0.030 0.000 2.457 632 Y HA 0.511 5.060 4.550 -0.002 0.000 0.343 632 Y C 0.031 175.836 175.900 -0.159 0.000 0.994 632 Y CA -0.865 57.157 58.100 -0.130 0.000 1.031 632 Y CB 1.985 40.325 38.460 -0.200 0.000 1.246 632 Y HN -0.254 nan 8.280 nan 0.000 0.449 633 T N 4.413 118.908 114.554 -0.097 0.000 2.933 633 T HA 0.270 4.619 4.350 -0.001 0.000 0.305 633 T C -2.304 172.310 174.700 -0.144 0.000 1.092 633 T CA -1.461 60.584 62.100 -0.093 0.000 1.008 633 T CB 2.119 70.940 68.868 -0.078 0.000 1.102 633 T HN 0.341 nan 8.240 nan 0.000 0.469 634 P HA 0.140 nan 4.420 nan 0.000 0.241 634 P C 0.780 178.032 177.300 -0.080 0.000 1.191 634 P CA 0.174 63.232 63.100 -0.070 0.000 0.771 634 P CB 0.069 31.771 31.700 0.004 0.000 0.929 635 G N 1.287 110.027 108.800 -0.100 0.000 2.543 635 G HA2 0.259 4.218 3.960 -0.001 0.000 0.290 635 G HA3 0.259 4.218 3.960 -0.001 0.000 0.290 635 G C -1.685 173.119 174.900 -0.160 0.000 1.310 635 G CA -1.231 43.794 45.100 -0.125 0.000 1.025 635 G HN -0.100 nan 8.290 nan 0.000 0.502 636 P HA -0.021 nan 4.420 nan 0.000 0.218 636 P C 0.572 177.791 177.300 -0.135 0.000 1.149 636 P CA 1.172 64.100 63.100 -0.288 0.000 0.817 636 P CB 0.120 31.316 31.700 -0.841 0.000 0.785 637 D N -1.047 119.272 120.400 -0.135 0.000 3.072 637 D HA 0.117 4.757 4.640 -0.001 0.000 0.250 637 D C 1.489 177.750 176.300 -0.065 0.000 1.304 637 D CA -0.485 53.483 54.000 -0.053 0.000 0.861 637 D CB -1.004 39.768 40.800 -0.047 0.000 1.062 637 D HN 0.037 nan 8.370 nan 0.000 0.481 638 G N -0.398 108.340 108.800 -0.103 0.000 2.408 638 G HA2 -0.123 3.837 3.960 -0.001 0.000 0.217 638 G HA3 -0.123 3.837 3.960 -0.001 0.000 0.217 638 G C 0.223 174.918 174.900 -0.342 0.000 1.150 638 G CA 0.471 45.419 45.100 -0.252 0.000 0.776 638 G HN 0.301 nan 8.290 nan 0.000 0.542 639 Y N -1.302 118.944 120.300 -0.089 0.000 2.496 639 Y HA 0.373 4.922 4.550 -0.001 0.000 0.325 639 Y C 1.545 177.340 175.900 -0.174 0.000 1.271 639 Y CA -0.877 57.105 58.100 -0.197 0.000 1.368 639 Y CB 0.904 39.281 38.460 -0.138 0.000 1.415 639 Y HN 0.068 nan 8.280 nan 0.000 0.527 640 C N -1.686 117.591 119.300 -0.039 0.000 3.000 640 C HA 0.861 5.321 4.460 -0.001 0.000 0.286 640 C C 0.536 175.525 174.990 -0.001 0.000 1.343 640 C CA -0.024 58.970 59.018 -0.040 0.000 1.742 640 C CB -1.217 26.471 27.740 -0.086 0.000 2.200 640 C HN 0.986 nan 8.230 nan 0.000 0.621 641 G N -0.185 108.636 108.800 0.034 0.000 2.320 641 G HA2 0.397 4.356 3.960 -0.001 0.000 0.296 641 G HA3 0.397 4.356 3.960 -0.001 0.000 0.296 641 G C -2.191 172.737 174.900 0.046 0.000 1.306 641 G CA -0.576 44.558 45.100 0.057 0.000 0.836 641 G HN 0.081 nan 8.290 nan 0.000 0.517 642 D N 0.159 120.616 120.400 0.096 0.000 2.423 642 D HA 0.192 4.831 4.640 -0.001 0.000 0.238 642 D C 1.192 177.443 176.300 -0.081 0.000 1.142 642 D CA -0.203 53.838 54.000 0.068 0.000 0.884 642 D CB 1.716 42.641 40.800 0.209 0.000 1.199 642 D HN 0.433 nan 8.370 nan 0.000 0.438 643 E N 0.740 120.828 120.200 -0.186 0.000 2.086 643 E HA -0.134 4.215 4.350 -0.001 0.000 0.190 643 E C -0.453 176.092 176.600 -0.092 0.000 0.975 643 E CA 0.498 56.685 56.400 -0.355 0.000 0.813 643 E CB 0.185 29.585 29.700 -0.500 0.000 0.768 643 E HN 0.377 nan 8.360 nan 0.000 0.457 644 D N 0.586 120.988 120.400 0.004 0.000 2.760 644 D HA -0.204 4.435 4.640 -0.001 0.000 0.244 644 D C -0.700 175.643 176.300 0.072 0.000 1.123 644 D CA 1.009 55.064 54.000 0.092 0.000 0.719 644 D CB -1.961 38.930 40.800 0.153 0.000 1.045 644 D HN 0.454 nan 8.370 nan 0.000 0.426 645 N N -1.486 117.230 118.700 0.027 0.000 2.741 645 N HA -0.226 4.513 4.740 -0.001 0.000 0.250 645 N C 1.083 176.744 175.510 0.251 0.000 1.115 645 N CA 1.609 54.698 53.050 0.064 0.000 0.724 645 N CB -1.133 37.220 38.487 -0.222 0.000 1.090 645 N HN 0.748 nan 8.380 nan 0.000 0.558 646 G N -1.320 107.594 108.800 0.190 0.000 2.380 646 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.197 646 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.197 646 G C 0.630 175.644 174.900 0.190 0.000 1.001 646 G CA 0.615 45.827 45.100 0.186 0.000 0.668 646 G HN 0.387 nan 8.290 nan 0.000 0.483 647 Q N 1.367 121.267 119.800 0.167 0.000 2.020 647 Q HA 0.020 4.360 4.340 -0.001 0.000 0.202 647 Q C 2.393 178.547 176.000 0.258 0.000 0.982 647 Q CA 3.138 59.050 55.803 0.181 0.000 0.838 647 Q CB -0.869 27.932 28.738 0.105 0.000 0.899 647 Q HN 0.470 nan 8.270 nan 0.000 0.423 648 T N -0.166 114.503 114.554 0.192 0.000 2.995 648 T HA 0.016 4.366 4.350 -0.001 0.000 0.269 648 T C 1.841 176.875 174.700 0.556 0.000 1.091 648 T CA 0.973 63.239 62.100 0.277 0.000 1.128 648 T CB -0.129 68.773 68.868 0.056 0.000 0.891 648 T HN 0.215 nan 8.240 nan 0.000 0.492 649 S N 1.701 117.657 115.700 0.427 0.000 2.362 649 S HA 0.120 4.589 4.470 -0.001 0.000 0.221 649 S C 2.579 177.439 174.600 0.432 0.000 1.032 649 S CA 0.735 59.229 58.200 0.489 0.000 0.973 649 S CB -0.428 62.964 63.200 0.320 0.000 0.849 649 S HN 0.570 nan 8.310 nan 0.000 0.465 650 A N 0.109 123.155 122.820 0.376 0.000 2.067 650 A HA -0.059 4.261 4.320 -0.001 0.000 0.219 650 A C 1.722 179.620 177.584 0.523 0.000 1.158 650 A CA 0.780 53.025 52.037 0.348 0.000 0.661 650 A CB -0.893 18.305 19.000 0.330 0.000 0.801 650 A HN 0.728 nan 8.150 nan 0.000 0.452 651 W N -1.002 120.558 121.300 0.433 0.000 2.363 651 W HA -0.221 4.438 4.660 -0.002 0.000 0.296 651 W C 1.866 178.620 176.519 0.392 0.000 1.212 651 W CA 1.834 59.492 57.345 0.522 0.000 1.260 651 W CB -0.205 29.543 29.460 0.480 0.000 1.131 651 W HN 0.466 nan 8.180 nan 0.000 0.530 652 Y N -0.153 120.446 120.300 0.498 0.000 2.314 652 Y HA -0.112 4.437 4.550 -0.001 0.000 0.294 652 Y C 2.190 178.089 175.900 -0.002 0.000 1.119 652 Y CA 2.027 60.207 58.100 0.133 0.000 1.179 652 Y CB -0.703 37.627 38.460 -0.218 0.000 1.025 652 Y HN -0.189 nan 8.280 nan 0.000 0.541 653 V N 0.009 119.965 119.914 0.070 0.000 2.233 653 V HA -0.331 3.789 4.120 -0.001 0.000 0.247 653 V C 2.110 178.136 176.094 -0.113 0.000 1.050 653 V CA 2.276 64.454 62.300 -0.203 0.000 1.010 653 V CB -1.011 30.619 31.823 -0.321 0.000 0.637 653 V HN 0.335 nan 8.190 nan 0.000 0.444 654 F N 1.074 120.962 119.950 -0.102 0.000 2.065 654 F HA -0.218 4.308 4.527 -0.001 0.000 0.298 654 F C 2.764 178.361 175.800 -0.339 0.000 1.112 654 F CA 2.232 60.104 58.000 -0.213 0.000 1.212 654 F CB -0.807 38.150 39.000 -0.072 0.000 0.975 654 F HN 0.048 nan 8.300 nan 0.000 0.476 655 S N -0.352 115.234 115.700 -0.189 0.000 2.402 655 S HA -0.129 4.341 4.470 -0.001 0.000 0.229 655 S C 2.244 176.664 174.600 -0.300 0.000 1.021 655 S CA 0.818 58.815 58.200 -0.339 0.000 0.974 655 S CB -0.659 62.022 63.200 -0.864 0.000 0.800 655 S HN 0.386 nan 8.310 nan 0.000 0.484 656 A N 1.422 124.047 122.820 -0.325 0.000 1.969 656 A HA 0.061 4.380 4.320 -0.001 0.000 0.218 656 A C 2.011 179.536 177.584 -0.099 0.000 1.169 656 A CA 0.972 52.855 52.037 -0.256 0.000 0.635 656 A CB -0.568 18.382 19.000 -0.084 0.000 0.810 656 A HN 0.472 nan 8.150 nan 0.000 0.445 657 L N -2.039 119.109 121.223 -0.126 0.000 2.240 657 L HA 0.144 4.483 4.340 -0.001 0.000 0.211 657 L C 1.926 178.681 176.870 -0.193 0.000 1.106 657 L CA 0.880 55.606 54.840 -0.191 0.000 0.793 657 L CB -0.195 41.629 42.059 -0.391 0.000 0.927 657 L HN 0.583 nan 8.230 nan 0.000 0.446 658 G N -0.503 108.164 108.800 -0.222 0.000 2.296 658 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.188 658 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.188 658 G C 0.065 175.117 174.900 0.254 0.000 1.000 658 G CA -0.110 45.017 45.100 0.045 0.000 0.672 658 G HN 0.250 nan 8.290 nan 0.000 0.483 659 F N -1.349 118.754 119.950 0.255 0.000 2.629 659 F HA 0.888 5.414 4.527 -0.002 0.000 0.316 659 F C -0.852 175.112 175.800 0.273 0.000 1.081 659 F CA -2.441 55.739 58.000 0.299 0.000 0.954 659 F CB 1.428 40.589 39.000 0.269 0.000 1.337 659 F HN 0.151 nan 8.300 nan 0.000 0.474 660 Y N 1.585 121.882 120.300 -0.006 0.000 2.442 660 Y HA 0.460 5.010 4.550 -0.000 0.000 0.330 660 Y C -2.846 172.803 175.900 -0.419 0.000 1.100 660 Y CA -2.448 55.340 58.100 -0.519 0.000 1.034 660 Y CB 2.939 40.686 38.460 -1.188 0.000 1.285 660 Y HN 0.453 nan 8.280 nan 0.000 0.440 661 P HA 0.023 nan 4.420 nan 0.000 0.249 661 P C 0.624 177.589 177.300 -0.558 0.000 1.737 661 P CA 0.387 63.063 63.100 -0.707 0.000 1.128 661 P CB 0.518 31.727 31.700 -0.819 0.000 1.942 662 V N 1.128 120.960 119.914 -0.138 0.000 2.453 662 V HA -0.200 3.920 4.120 -0.001 0.000 0.252 662 V C 1.490 177.564 176.094 -0.032 0.000 1.068 662 V CA 1.681 64.052 62.300 0.118 0.000 1.070 662 V CB -0.445 31.583 31.823 0.342 0.000 0.664 662 V HN 0.558 nan 8.190 nan 0.000 0.461 663 C N 1.563 120.819 119.300 -0.073 0.000 3.002 663 C HA 0.500 4.960 4.460 -0.001 0.000 0.248 663 C C -2.603 172.364 174.990 -0.039 0.000 1.153 663 C CA -2.116 56.872 59.018 -0.050 0.000 1.502 663 C CB -0.249 27.498 27.740 0.012 0.000 1.805 663 C HN 0.290 nan 8.230 nan 0.000 0.450 664 P HA 0.297 nan 4.420 nan 0.000 0.266 664 P C 0.932 178.342 177.300 0.184 0.000 1.193 664 P CA 2.143 65.255 63.100 0.021 0.000 0.770 664 P CB 0.528 32.274 31.700 0.077 0.000 0.836 665 G N 0.846 109.701 108.800 0.091 0.000 2.397 665 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.211 665 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.211 665 G C 0.531 175.501 174.900 0.118 0.000 1.077 665 G CA 0.271 45.462 45.100 0.151 0.000 0.649 665 G HN 0.844 nan 8.290 nan 0.000 0.511 666 T N -0.096 114.567 114.554 0.181 0.000 2.698 666 T HA 0.454 4.803 4.350 -0.001 0.000 0.295 666 T C 0.903 175.532 174.700 -0.119 0.000 1.007 666 T CA 0.970 63.065 62.100 -0.009 0.000 0.980 666 T CB 1.238 70.065 68.868 -0.068 0.000 1.036 666 T HN 0.628 nan 8.240 nan 0.000 0.526 667 D N -1.254 119.081 120.400 -0.109 0.000 2.463 667 D HA 0.130 4.769 4.640 -0.001 0.000 0.224 667 D C -0.085 176.180 176.300 -0.058 0.000 1.174 667 D CA -0.365 53.572 54.000 -0.104 0.000 0.829 667 D CB -0.099 40.691 40.800 -0.017 0.000 0.993 667 D HN 0.722 nan 8.370 nan 0.000 0.497 668 E N 0.090 120.205 120.200 -0.143 0.000 2.191 668 E HA 0.358 4.707 4.350 -0.001 0.000 0.274 668 E C -1.094 175.375 176.600 -0.219 0.000 0.948 668 E CA -0.815 55.576 56.400 -0.015 0.000 0.802 668 E CB 1.529 31.241 29.700 0.019 0.000 1.137 668 E HN 0.125 nan 8.360 nan 0.000 0.397 669 Y N 0.488 120.897 120.300 0.181 0.000 2.326 669 Y HA 0.250 4.799 4.550 -0.001 0.000 0.331 669 Y C -0.076 175.972 175.900 0.248 0.000 0.962 669 Y CA -0.916 57.294 58.100 0.183 0.000 1.167 669 Y CB 1.315 39.925 38.460 0.251 0.000 1.148 669 Y HN 0.217 nan 8.280 nan 0.000 0.463 670 V N 4.758 124.869 119.914 0.329 0.000 2.649 670 V HA 0.162 4.281 4.120 -0.001 0.000 0.292 670 V C 0.286 176.659 176.094 0.465 0.000 1.055 670 V CA -0.641 61.875 62.300 0.360 0.000 1.023 670 V CB 1.152 33.180 31.823 0.341 0.000 0.992 670 V HN 0.725 nan 8.190 nan 0.000 0.480 671 M N 3.939 123.818 119.600 0.465 0.000 2.235 671 M HA 0.557 5.036 4.480 -0.001 0.000 0.351 671 M C 0.518 177.122 176.300 0.507 0.000 1.178 671 M CA 0.676 56.253 55.300 0.461 0.000 1.143 671 M CB 0.955 33.750 32.600 0.326 0.000 1.530 671 M HN 0.790 nan 8.290 nan 0.000 0.461 672 G N 1.121 110.188 108.800 0.446 0.000 3.364 672 G HA2 0.507 4.467 3.960 -0.001 0.000 0.191 672 G HA3 0.507 4.467 3.960 -0.001 0.000 0.191 672 G C -1.037 173.939 174.900 0.127 0.000 1.352 672 G CA -0.156 45.063 45.100 0.199 0.000 0.758 672 G HN 0.651 nan 8.290 nan 0.000 0.730 673 T N 1.682 116.263 114.554 0.045 0.000 2.900 673 T HA 0.690 5.039 4.350 -0.001 0.000 0.295 673 T C -2.906 171.789 174.700 -0.008 0.000 1.044 673 T CA -1.474 60.646 62.100 0.033 0.000 0.995 673 T CB 2.263 71.134 68.868 0.006 0.000 1.072 673 T HN 0.239 nan 8.240 nan 0.000 0.473 674 P HA 0.336 nan 4.420 nan 0.000 0.282 674 P C 0.168 177.398 177.300 -0.116 0.000 1.259 674 P CA -0.600 62.478 63.100 -0.037 0.000 0.826 674 P CB 1.417 33.126 31.700 0.014 0.000 1.064 675 L N 0.404 121.499 121.223 -0.214 0.000 2.470 675 L HA 0.356 4.695 4.340 -0.001 0.000 0.219 675 L C 0.353 176.894 176.870 -0.548 0.000 1.071 675 L CA 0.980 55.557 54.840 -0.439 0.000 0.850 675 L CB -0.193 41.467 42.059 -0.665 0.000 1.040 675 L HN 0.155 nan 8.230 nan 0.000 0.475 676 F N -0.675 119.209 119.950 -0.110 0.000 2.509 676 F HA 0.370 4.897 4.527 0.000 0.000 0.334 676 F C 1.541 177.308 175.800 -0.055 0.000 1.060 676 F CA -0.632 57.316 58.000 -0.088 0.000 0.997 676 F CB 0.803 39.731 39.000 -0.120 0.000 1.271 676 F HN -0.344 nan 8.300 nan 0.000 0.488 677 K N 0.001 120.513 120.400 0.187 0.000 2.186 677 K HA 0.039 4.359 4.320 -0.001 0.000 0.202 677 K C 0.201 176.845 176.600 0.072 0.000 1.052 677 K CA 0.902 57.246 56.287 0.094 0.000 0.965 677 K CB 0.331 32.878 32.500 0.079 0.000 0.746 677 K HN 0.317 nan 8.250 nan 0.000 0.457 678 K N 0.417 120.865 120.400 0.079 0.000 2.581 678 K HA 0.390 4.709 4.320 -0.001 0.000 0.249 678 K C -1.991 174.592 176.600 -0.028 0.000 0.966 678 K CA -0.304 55.995 56.287 0.021 0.000 0.811 678 K CB 2.075 34.582 32.500 0.010 0.000 1.223 678 K HN 0.002 nan 8.250 nan 0.000 0.438 679 A N 2.288 125.075 122.820 -0.055 0.000 2.355 679 A HA 0.752 5.071 4.320 -0.001 0.000 0.324 679 A C -0.927 176.580 177.584 -0.129 0.000 1.117 679 A CA -0.503 51.457 52.037 -0.128 0.000 0.785 679 A CB 1.683 20.611 19.000 -0.120 0.000 1.254 679 A HN 0.547 nan 8.150 nan 0.000 0.453 680 T N 2.464 116.914 114.554 -0.174 0.000 2.881 680 T HA 0.517 4.867 4.350 -0.001 0.000 0.291 680 T C -0.745 173.691 174.700 -0.439 0.000 0.990 680 T CA -0.189 61.750 62.100 -0.268 0.000 0.976 680 T CB 0.595 69.334 68.868 -0.214 0.000 0.970 680 T HN 0.474 nan 8.240 nan 0.000 0.438 681 L N 4.245 125.127 121.223 -0.569 0.000 2.296 681 L HA 0.512 4.851 4.340 -0.001 0.000 0.286 681 L C -0.031 176.185 176.870 -1.089 0.000 1.023 681 L CA -0.967 53.414 54.840 -0.765 0.000 0.812 681 L CB 0.864 42.453 42.059 -0.783 0.000 1.223 681 L HN 0.595 nan 8.230 nan 0.000 0.421 682 H N 4.275 122.971 119.070 -0.623 0.000 2.691 682 H HA 0.321 4.877 4.556 -0.001 0.000 0.281 682 H C -0.570 174.447 175.328 -0.518 0.000 1.121 682 H CA -0.508 55.250 56.048 -0.484 0.000 1.254 682 H CB 0.556 30.164 29.762 -0.256 0.000 1.390 682 H HN 0.321 nan 8.280 nan 0.000 0.491 683 F N 0.682 120.519 119.950 -0.189 0.000 2.406 683 F HA 0.077 4.604 4.527 -0.001 0.000 0.327 683 F C 1.940 177.579 175.800 -0.269 0.000 1.153 683 F CA -0.501 57.293 58.000 -0.343 0.000 1.218 683 F CB 0.910 39.494 39.000 -0.693 0.000 1.215 683 F HN 0.422 nan 8.300 nan 0.000 0.570 684 E N 0.420 120.579 120.200 -0.068 0.000 2.333 684 E HA -0.212 4.138 4.350 -0.001 0.000 0.198 684 E C 1.370 177.940 176.600 -0.050 0.000 1.007 684 E CA 1.096 57.471 56.400 -0.043 0.000 0.845 684 E CB -0.313 29.385 29.700 -0.004 0.000 0.766 684 E HN 0.583 nan 8.360 nan 0.000 0.507 685 N N -0.292 118.337 118.700 -0.119 0.000 2.467 685 N HA -0.027 4.712 4.740 -0.001 0.000 0.184 685 N C 1.209 176.694 175.510 -0.042 0.000 1.106 685 N CA 1.063 54.057 53.050 -0.093 0.000 0.892 685 N CB 0.532 38.919 38.487 -0.167 0.000 0.969 685 N HN 0.161 nan 8.380 nan 0.000 0.454 686 G N -1.117 107.672 108.800 -0.017 0.000 2.218 686 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.216 686 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.216 686 G C -0.413 174.512 174.900 0.041 0.000 0.994 686 G CA -0.178 44.929 45.100 0.011 0.000 0.637 686 G HN 0.445 nan 8.290 nan 0.000 0.505 687 N N 1.023 119.759 118.700 0.061 0.000 2.524 687 N HA 0.683 5.422 4.740 -0.001 0.000 0.283 687 N C -0.016 175.599 175.510 0.175 0.000 1.142 687 N CA 0.246 53.365 53.050 0.116 0.000 0.984 687 N CB 1.536 40.083 38.487 0.100 0.000 1.155 687 N HN 0.273 nan 8.380 nan 0.000 0.467 688 S N 0.569 116.325 115.700 0.094 0.000 2.689 688 S HA 0.620 5.090 4.470 -0.001 0.000 0.306 688 S C -0.977 173.611 174.600 -0.019 0.000 1.104 688 S CA -0.764 57.383 58.200 -0.088 0.000 0.973 688 S CB 1.460 64.604 63.200 -0.094 0.000 1.121 688 S HN 0.399 nan 8.310 nan 0.000 0.523 689 L N 2.348 123.468 121.223 -0.171 0.000 2.596 689 L HA 0.489 4.829 4.340 -0.001 0.000 0.265 689 L C -1.745 175.041 176.870 -0.139 0.000 0.962 689 L CA -0.448 54.363 54.840 -0.048 0.000 0.891 689 L CB 1.375 43.516 42.059 0.136 0.000 1.248 689 L HN 0.496 nan 8.230 nan 0.000 0.410 690 V N 6.137 125.992 119.914 -0.099 0.000 2.406 690 V HA 0.392 4.512 4.120 -0.001 0.000 0.272 690 V C 0.618 176.657 176.094 -0.093 0.000 1.043 690 V CA -0.362 61.880 62.300 -0.097 0.000 0.915 690 V CB 1.514 33.301 31.823 -0.061 0.000 0.988 690 V HN 0.476 nan 8.190 nan 0.000 0.466 691 I N 4.117 124.640 120.570 -0.078 0.000 2.306 691 I HA 0.334 4.504 4.170 -0.001 0.000 0.288 691 I C -0.400 175.698 176.117 -0.033 0.000 1.036 691 I CA -0.063 61.202 61.300 -0.059 0.000 1.221 691 I CB 1.081 39.080 38.000 -0.002 0.000 1.385 691 I HN 0.594 nan 8.210 nan 0.000 0.472 692 D N 5.882 126.260 120.400 -0.037 0.000 2.441 692 D HA 0.522 5.161 4.640 -0.001 0.000 0.231 692 D C -0.171 176.127 176.300 -0.004 0.000 1.073 692 D CA -0.136 53.855 54.000 -0.015 0.000 0.850 692 D CB 1.354 42.143 40.800 -0.019 0.000 1.062 692 D HN 0.658 nan 8.370 nan 0.000 0.524 693 A N 4.598 127.425 122.820 0.012 0.000 3.105 693 A HA 0.390 4.710 4.320 -0.001 0.000 0.336 693 A C -1.912 175.684 177.584 0.019 0.000 1.042 693 A CA -1.099 50.947 52.037 0.015 0.000 0.851 693 A CB 0.612 19.624 19.000 0.019 0.000 1.068 693 A HN 0.398 nan 8.150 nan 0.000 0.477 694 P HA -0.139 nan 4.420 nan 0.000 0.221 694 P C 0.910 178.219 177.300 0.015 0.000 1.145 694 P CA 1.322 64.433 63.100 0.018 0.000 0.795 694 P CB 0.204 31.912 31.700 0.014 0.000 0.775 695 N N -1.320 117.386 118.700 0.010 0.000 2.235 695 N HA 0.000 4.739 4.740 -0.001 0.000 0.209 695 N C 0.137 175.647 175.510 0.001 0.000 1.122 695 N CA -0.221 52.831 53.050 0.004 0.000 0.845 695 N CB -0.662 37.825 38.487 0.000 0.000 1.004 695 N HN -0.132 nan 8.380 nan 0.000 0.499 696 N N 0.444 119.147 118.700 0.004 0.000 2.454 696 N HA 0.050 4.789 4.740 -0.001 0.000 0.254 696 N C -0.572 174.933 175.510 -0.009 0.000 1.228 696 N CA 0.467 53.514 53.050 -0.004 0.000 0.900 696 N CB 0.720 39.204 38.487 -0.006 0.000 1.089 696 N HN 0.406 nan 8.380 nan 0.000 0.449 697 S N 0.206 115.899 115.700 -0.012 0.000 2.703 697 S HA 0.282 4.751 4.470 -0.001 0.000 0.273 697 S C 0.893 175.495 174.600 0.003 0.000 1.178 697 S CA -0.453 57.740 58.200 -0.010 0.000 0.838 697 S CB 0.433 63.630 63.200 -0.005 0.000 1.178 697 S HN 0.375 nan 8.310 nan 0.000 0.494 698 T N 1.475 116.033 114.554 0.005 0.000 2.684 698 T HA -0.060 4.289 4.350 -0.001 0.000 0.267 698 T C 1.380 176.160 174.700 0.134 0.000 1.036 698 T CA 2.356 64.474 62.100 0.029 0.000 1.148 698 T CB -0.614 68.259 68.868 0.008 0.000 0.863 698 T HN 0.693 nan 8.240 nan 0.000 0.436 699 E N 1.081 121.335 120.200 0.091 0.000 2.112 699 E HA 0.053 4.402 4.350 -0.001 0.000 0.190 699 E C 0.643 177.178 176.600 -0.108 0.000 0.979 699 E CA 0.393 56.835 56.400 0.071 0.000 0.814 699 E CB -0.012 29.693 29.700 0.008 0.000 0.762 699 E HN 0.272 nan 8.360 nan 0.000 0.460 700 N N 1.308 119.970 118.700 -0.063 0.000 3.050 700 N HA 0.028 4.767 4.740 -0.001 0.000 0.289 700 N C -0.300 175.160 175.510 -0.084 0.000 1.209 700 N CA 0.035 53.014 53.050 -0.118 0.000 1.154 700 N CB -0.150 38.308 38.487 -0.049 0.000 1.444 700 N HN 0.221 nan 8.380 nan 0.000 0.529 701 F N -1.736 118.139 119.950 -0.124 0.000 2.720 701 F HA 0.369 4.895 4.527 -0.003 0.000 0.301 701 F C 0.092 175.750 175.800 -0.237 0.000 1.103 701 F CA -0.861 57.004 58.000 -0.225 0.000 1.291 701 F CB -0.397 38.405 39.000 -0.330 0.000 1.086 701 F HN -0.114 nan 8.300 nan 0.000 0.592 702 Y N 2.446 122.643 120.300 -0.172 0.000 2.346 702 Y HA 0.349 4.899 4.550 0.000 0.000 0.330 702 Y C 0.577 176.472 175.900 -0.008 0.000 1.178 702 Y CA -1.178 56.894 58.100 -0.046 0.000 1.331 702 Y CB 0.393 38.769 38.460 -0.141 0.000 1.253 702 Y HN -0.085 nan 8.280 nan 0.000 0.529 703 I N 3.165 123.866 120.570 0.219 0.000 2.379 703 I HA 0.007 4.176 4.170 -0.001 0.000 0.290 703 I C 0.613 176.804 176.117 0.124 0.000 1.063 703 I CA 0.330 61.717 61.300 0.146 0.000 1.351 703 I CB 0.945 39.038 38.000 0.154 0.000 1.410 703 I HN 0.753 nan 8.210 nan 0.000 0.505 704 D N 3.576 124.019 120.400 0.072 0.000 2.197 704 D HA 0.011 4.650 4.640 -0.001 0.000 0.212 704 D C 0.000 176.326 176.300 0.042 0.000 0.963 704 D CA 0.866 54.887 54.000 0.035 0.000 0.864 704 D CB 0.567 41.369 40.800 0.004 0.000 1.009 704 D HN 0.516 nan 8.370 nan 0.000 0.479 705 S N -0.615 115.114 115.700 0.049 0.000 2.564 705 S HA 0.522 4.991 4.470 -0.001 0.000 0.274 705 S C -0.956 173.684 174.600 0.066 0.000 1.124 705 S CA -0.855 57.378 58.200 0.055 0.000 0.869 705 S CB 2.255 65.478 63.200 0.038 0.000 1.105 705 S HN 0.185 nan 8.310 nan 0.000 0.472 706 M N 2.040 121.692 119.600 0.086 0.000 2.572 706 M HA 0.662 5.142 4.480 -0.001 0.000 0.299 706 M C -1.124 175.241 176.300 0.109 0.000 1.205 706 M CA -0.265 55.087 55.300 0.087 0.000 0.876 706 M CB 2.175 34.845 32.600 0.115 0.000 1.728 706 M HN 0.779 nan 8.290 nan 0.000 0.458 707 S N 2.270 118.015 115.700 0.077 0.000 2.549 707 S HA 0.759 5.229 4.470 -0.001 0.000 0.280 707 S C -1.936 172.730 174.600 0.111 0.000 1.109 707 S CA -0.502 57.764 58.200 0.112 0.000 0.905 707 S CB 1.661 64.906 63.200 0.074 0.000 1.081 707 S HN 0.582 nan 8.310 nan 0.000 0.477 708 F N 4.180 124.141 119.950 0.018 0.000 2.771 708 F HA 0.494 5.020 4.527 -0.001 0.000 0.365 708 F C -0.108 175.695 175.800 0.005 0.000 1.169 708 F CA -1.038 56.949 58.000 -0.021 0.000 1.093 708 F CB 0.160 39.136 39.000 -0.041 0.000 1.363 708 F HN 0.813 nan 8.300 nan 0.000 0.496 709 N N 3.658 122.564 118.700 0.342 0.000 2.726 709 N HA -0.176 4.563 4.740 -0.001 0.000 0.253 709 N C 1.140 176.722 175.510 0.121 0.000 1.059 709 N CA 1.277 54.450 53.050 0.205 0.000 0.701 709 N CB -1.117 37.489 38.487 0.199 0.000 0.899 709 N HN 1.196 nan 8.380 nan 0.000 0.548 710 G N -1.508 107.352 108.800 0.101 0.000 2.377 710 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.250 710 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.250 710 G C 0.256 175.199 174.900 0.073 0.000 1.039 710 G CA 0.874 46.016 45.100 0.070 0.000 0.625 710 G HN 1.387 nan 8.290 nan 0.000 0.526 711 A N 0.480 123.356 122.820 0.094 0.000 2.289 711 A HA 0.596 4.916 4.320 -0.001 0.000 0.298 711 A C 0.149 177.811 177.584 0.130 0.000 1.208 711 A CA 0.568 52.656 52.037 0.086 0.000 0.845 711 A CB 0.519 19.554 19.000 0.058 0.000 1.125 711 A HN 0.526 nan 8.150 nan 0.000 0.517 712 D N 0.287 120.746 120.400 0.098 0.000 2.443 712 D HA 0.097 4.736 4.640 -0.001 0.000 0.234 712 D C -0.233 176.162 176.300 0.158 0.000 1.172 712 D CA 1.461 55.527 54.000 0.110 0.000 0.878 712 D CB 0.148 40.986 40.800 0.063 0.000 1.204 712 D HN 0.637 nan 8.370 nan 0.000 0.453 713 H N 0.091 119.198 119.070 0.060 0.000 2.974 713 H HA 0.249 4.804 4.556 -0.001 0.000 0.285 713 H C 0.335 175.687 175.328 0.040 0.000 1.227 713 H CA -0.138 55.945 56.048 0.058 0.000 1.569 713 H CB 0.585 30.416 29.762 0.114 0.000 1.648 713 H HN 0.325 nan 8.280 nan 0.000 0.521 714 T N 0.123 114.637 114.554 -0.068 0.000 3.081 714 T HA 0.131 4.480 4.350 -0.001 0.000 0.255 714 T C 0.868 175.548 174.700 -0.032 0.000 1.113 714 T CA -0.243 61.854 62.100 -0.004 0.000 1.082 714 T CB 0.076 68.946 68.868 0.004 0.000 0.939 714 T HN 0.213 nan 8.240 nan 0.000 0.506 715 K N 2.323 122.575 120.400 -0.247 0.000 2.336 715 K HA 0.205 4.524 4.320 -0.001 0.000 0.262 715 K C 0.644 177.273 176.600 0.048 0.000 0.992 715 K CA -0.018 56.149 56.287 -0.200 0.000 0.927 715 K CB 0.225 32.356 32.500 -0.615 0.000 0.956 715 K HN 0.015 nan 8.250 nan 0.000 0.495 716 N N 1.178 119.965 118.700 0.146 0.000 2.276 716 N HA 0.084 4.823 4.740 -0.001 0.000 0.212 716 N C -1.188 174.522 175.510 0.333 0.000 1.127 716 N CA -0.002 53.186 53.050 0.230 0.000 0.834 716 N CB -0.077 38.521 38.487 0.184 0.000 1.014 716 N HN 0.491 nan 8.380 nan 0.000 0.491 717 Y N -2.096 118.332 120.300 0.212 0.000 2.609 717 Y HA 0.660 5.209 4.550 -0.002 0.000 0.336 717 Y C -1.569 174.502 175.900 0.285 0.000 1.129 717 Y CA -1.377 56.853 58.100 0.217 0.000 1.040 717 Y CB 0.882 39.428 38.460 0.142 0.000 1.310 717 Y HN -0.272 nan 8.280 nan 0.000 0.460 718 L N 2.855 124.260 121.223 0.303 0.000 2.341 718 L HA 0.713 5.052 4.340 -0.001 0.000 0.267 718 L C -0.513 176.580 176.870 0.372 0.000 1.009 718 L CA -1.210 53.748 54.840 0.197 0.000 0.819 718 L CB 2.421 44.437 42.059 -0.071 0.000 1.323 718 L HN 0.699 nan 8.230 nan 0.000 0.425 719 R N -0.451 120.231 120.500 0.303 0.000 2.460 719 R HA 0.231 4.571 4.340 -0.001 0.000 0.303 719 R C 0.404 176.854 176.300 0.249 0.000 0.968 719 R CA -0.785 55.502 56.100 0.312 0.000 0.889 719 R CB 1.768 32.217 30.300 0.247 0.000 1.123 719 R HN 0.558 nan 8.270 nan 0.000 0.455 720 H N 1.934 121.120 119.070 0.192 0.000 2.390 720 H HA -0.175 4.381 4.556 -0.001 0.000 0.298 720 H C 0.851 176.082 175.328 -0.161 0.000 1.106 720 H CA 2.195 58.291 56.048 0.081 0.000 1.297 720 H CB 0.532 30.301 29.762 0.011 0.000 1.375 720 H HN 0.622 nan 8.280 nan 0.000 0.509 721 E N -0.235 119.934 120.200 -0.050 0.000 2.112 721 E HA -0.080 4.269 4.350 -0.001 0.000 0.190 721 E C 1.790 178.356 176.600 -0.057 0.000 0.979 721 E CA 1.055 57.399 56.400 -0.092 0.000 0.814 721 E CB 0.086 29.772 29.700 -0.022 0.000 0.762 721 E HN 0.562 nan 8.360 nan 0.000 0.460 722 D N 0.254 120.639 120.400 -0.025 0.000 2.144 722 D HA -0.124 4.515 4.640 -0.001 0.000 0.199 722 D C 1.879 178.225 176.300 0.077 0.000 0.984 722 D CA 0.794 54.768 54.000 -0.043 0.000 0.834 722 D CB -0.113 40.630 40.800 -0.095 0.000 0.955 722 D HN 0.179 nan 8.370 nan 0.000 0.465 723 L N -0.484 120.768 121.223 0.049 0.000 2.023 723 L HA -0.103 4.236 4.340 -0.001 0.000 0.205 723 L C 2.272 179.004 176.870 -0.230 0.000 1.073 723 L CA 0.633 55.477 54.840 0.008 0.000 0.745 723 L CB -0.393 41.604 42.059 -0.104 0.000 0.900 723 L HN -0.078 nan 8.230 nan 0.000 0.435 724 F N 0.916 120.425 119.950 -0.734 0.000 2.307 724 F HA -0.231 4.295 4.527 -0.001 0.000 0.301 724 F C 2.437 177.997 175.800 -0.400 0.000 1.076 724 F CA 1.196 58.666 58.000 -0.883 0.000 1.383 724 F CB -0.533 38.081 39.000 -0.644 0.000 1.055 724 F HN -0.044 nan 8.300 nan 0.000 0.526 725 K N 0.193 120.566 120.400 -0.046 0.000 2.209 725 K HA 0.132 4.451 4.320 -0.001 0.000 0.204 725 K C 1.056 177.683 176.600 0.045 0.000 1.048 725 K CA 0.849 57.136 56.287 -0.001 0.000 0.940 725 K CB -0.579 31.917 32.500 -0.007 0.000 0.729 725 K HN 0.331 nan 8.250 nan 0.000 0.451 726 G N -2.112 106.748 108.800 0.099 0.000 2.828 726 G HA2 0.180 4.139 3.960 -0.001 0.000 0.463 726 G HA3 0.180 4.139 3.960 -0.001 0.000 0.463 726 G C 0.360 175.363 174.900 0.172 0.000 1.394 726 G CA -0.401 44.803 45.100 0.173 0.000 0.862 726 G HN 0.896 nan 8.290 nan 0.000 0.540 727 G N -2.437 106.442 108.800 0.131 0.000 2.348 727 G HA2 0.548 4.508 3.960 -0.001 0.000 0.199 727 G HA3 0.548 4.508 3.960 -0.001 0.000 0.199 727 G C -0.207 174.733 174.900 0.066 0.000 1.235 727 G CA 0.603 45.773 45.100 0.117 0.000 1.264 727 G HN 2.362 nan 8.290 nan 0.000 0.543 728 T N 0.579 115.172 114.554 0.065 0.000 2.952 728 T HA 0.655 5.004 4.350 -0.001 0.000 0.305 728 T C -0.558 174.066 174.700 -0.126 0.000 1.064 728 T CA -0.272 61.813 62.100 -0.025 0.000 1.008 728 T CB 1.636 70.508 68.868 0.008 0.000 1.078 728 T HN 0.665 nan 8.240 nan 0.000 0.459 729 I N 2.542 122.965 120.570 -0.245 0.000 2.436 729 I HA 0.474 4.644 4.170 -0.001 0.000 0.289 729 I C -0.145 175.876 176.117 -0.160 0.000 1.010 729 I CA -0.870 60.224 61.300 -0.344 0.000 1.098 729 I CB 2.043 39.700 38.000 -0.572 0.000 1.266 729 I HN 0.333 nan 8.210 nan 0.000 0.434 730 K N 5.940 126.283 120.400 -0.095 0.000 2.182 730 K HA 0.710 5.030 4.320 -0.001 0.000 0.262 730 K C -1.461 175.123 176.600 -0.026 0.000 0.957 730 K CA -0.511 55.752 56.287 -0.041 0.000 0.842 730 K CB 1.711 34.206 32.500 -0.009 0.000 1.099 730 K HN 0.413 nan 8.250 nan 0.000 0.438 731 V N 3.239 123.147 119.914 -0.010 0.000 2.487 731 V HA 0.233 4.353 4.120 -0.001 0.000 0.298 731 V C -1.125 174.980 176.094 0.018 0.000 1.028 731 V CA -1.100 61.207 62.300 0.012 0.000 0.860 731 V CB 1.647 33.482 31.823 0.020 0.000 0.991 731 V HN 0.773 nan 8.190 nan 0.000 0.427 732 D N 5.470 125.885 120.400 0.025 0.000 2.347 732 D HA 0.456 5.095 4.640 -0.001 0.000 0.235 732 D C -0.021 176.293 176.300 0.023 0.000 1.149 732 D CA -0.254 53.758 54.000 0.019 0.000 0.850 732 D CB 1.188 41.997 40.800 0.016 0.000 1.061 732 D HN 0.235 nan 8.370 nan 0.000 0.487 733 M N 1.054 120.664 119.600 0.016 0.000 2.314 733 M HA 0.379 4.858 4.480 -0.001 0.000 0.342 733 M C 0.405 176.705 176.300 -0.001 0.000 1.171 733 M CA -0.409 54.900 55.300 0.015 0.000 1.098 733 M CB 1.261 33.865 32.600 0.007 0.000 1.559 733 M HN 0.213 nan 8.290 nan 0.000 0.459 734 S N 1.079 116.779 115.700 -0.001 0.000 2.588 734 S HA 0.462 4.931 4.470 -0.001 0.000 0.275 734 S C 0.386 174.959 174.600 -0.046 0.000 1.130 734 S CA -0.733 57.451 58.200 -0.025 0.000 0.855 734 S CB 1.090 64.273 63.200 -0.029 0.000 1.116 734 S HN 0.755 nan 8.310 nan 0.000 0.472 735 N N 2.091 120.742 118.700 -0.083 0.000 2.398 735 N HA 0.060 4.800 4.740 -0.001 0.000 0.188 735 N C 0.009 175.473 175.510 -0.076 0.000 1.122 735 N CA -0.048 52.927 53.050 -0.125 0.000 0.866 735 N CB -0.215 38.203 38.487 -0.115 0.000 0.970 735 N HN 0.628 nan 8.380 nan 0.000 0.462 736 R N 0.130 120.525 120.500 -0.175 0.000 2.807 736 R HA 0.554 4.893 4.340 -0.001 0.000 0.276 736 R C -3.023 172.803 176.300 -0.790 0.000 0.979 736 R CA -1.866 53.945 56.100 -0.482 0.000 0.928 736 R CB 0.860 30.963 30.300 -0.328 0.000 1.191 736 R HN -0.065 nan 8.270 nan 0.000 0.471 737 P HA -0.002 nan 4.420 nan 0.000 0.275 737 P C -0.801 176.160 177.300 -0.566 0.000 1.227 737 P CA -0.345 62.150 63.100 -1.008 0.000 0.781 737 P CB 0.569 31.648 31.700 -1.035 0.000 0.906 738 N N 2.952 121.453 118.700 -0.332 0.000 2.521 738 N HA 0.071 4.810 4.740 -0.001 0.000 0.236 738 N C 0.775 176.046 175.510 -0.398 0.000 1.067 738 N CA -0.212 52.681 53.050 -0.261 0.000 0.939 738 N CB -0.079 38.361 38.487 -0.079 0.000 1.201 738 N HN 0.168 nan 8.380 nan 0.000 0.511 739 L N 2.869 123.717 121.223 -0.624 0.000 2.549 739 L HA 0.000 4.340 4.340 -0.001 0.000 0.229 739 L C 1.502 178.161 176.870 -0.351 0.000 1.158 739 L CA 0.726 55.035 54.840 -0.885 0.000 0.842 739 L CB -0.251 41.367 42.059 -0.734 0.000 0.952 739 L HN 0.467 nan 8.230 nan 0.000 0.452 740 N N -0.975 117.630 118.700 -0.158 0.000 2.414 740 N HA 0.039 4.778 4.740 -0.001 0.000 0.177 740 N C 0.836 176.385 175.510 0.065 0.000 1.062 740 N CA 0.099 53.136 53.050 -0.021 0.000 0.890 740 N CB 0.216 38.681 38.487 -0.036 0.000 1.070 740 N HN 0.211 nan 8.380 nan 0.000 0.454 741 R N 0.936 121.485 120.500 0.083 0.000 2.370 741 R HA 0.268 4.607 4.340 -0.001 0.000 0.309 741 R C 0.426 176.839 176.300 0.188 0.000 1.059 741 R CA 0.723 56.896 56.100 0.122 0.000 0.981 741 R CB -0.064 30.304 30.300 0.113 0.000 0.972 741 R HN 0.275 nan 8.270 nan 0.000 0.437 742 G N 3.100 111.986 108.800 0.144 0.000 2.198 742 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.257 742 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.257 742 G C 0.520 175.515 174.900 0.158 0.000 1.042 742 G CA 0.636 45.822 45.100 0.143 0.000 0.791 742 G HN 0.756 nan 8.290 nan 0.000 0.502 743 T N -2.872 111.777 114.554 0.158 0.000 3.044 743 T HA 0.344 4.694 4.350 -0.001 0.000 0.250 743 T C 1.086 175.850 174.700 0.107 0.000 1.081 743 T CA 0.688 62.883 62.100 0.159 0.000 1.040 743 T CB 0.616 69.596 68.868 0.187 0.000 0.962 743 T HN 0.436 nan 8.240 nan 0.000 0.506 744 K N 2.143 122.594 120.400 0.086 0.000 2.295 744 K HA 0.202 4.522 4.320 -0.001 0.000 0.270 744 K C 1.325 177.961 176.600 0.061 0.000 1.011 744 K CA -0.307 56.018 56.287 0.064 0.000 0.953 744 K CB 0.674 33.204 32.500 0.050 0.000 0.956 744 K HN -0.060 nan 8.250 nan 0.000 0.477 745 E N 2.509 122.739 120.200 0.050 0.000 2.160 745 E HA -0.226 4.123 4.350 -0.001 0.000 0.195 745 E C 0.957 177.587 176.600 0.051 0.000 0.991 745 E CA 1.251 57.677 56.400 0.043 0.000 0.810 745 E CB 0.349 30.067 29.700 0.031 0.000 0.742 745 E HN 0.691 nan 8.360 nan 0.000 0.466 746 E N -0.054 120.179 120.200 0.056 0.000 2.489 746 E HA -0.094 4.255 4.350 -0.001 0.000 0.193 746 E C 0.641 177.306 176.600 0.109 0.000 1.057 746 E CA 0.326 56.771 56.400 0.075 0.000 0.866 746 E CB 0.029 29.763 29.700 0.056 0.000 0.916 746 E HN 0.118 nan 8.360 nan 0.000 0.500 747 D N 0.560 121.015 120.400 0.092 0.000 2.323 747 D HA 0.034 4.673 4.640 -0.001 0.000 0.209 747 D C 0.617 177.031 176.300 0.191 0.000 0.973 747 D CA 0.343 54.407 54.000 0.107 0.000 0.874 747 D CB 0.110 40.953 40.800 0.072 0.000 0.930 747 D HN 0.173 nan 8.370 nan 0.000 0.521 748 M N 1.619 121.294 119.600 0.126 0.000 2.245 748 M HA 0.184 4.664 4.480 -0.001 0.000 0.344 748 M C -2.071 174.197 176.300 -0.053 0.000 1.170 748 M CA -1.703 53.608 55.300 0.019 0.000 1.135 748 M CB -0.171 32.419 32.600 -0.015 0.000 1.574 748 M HN -0.222 nan 8.290 nan 0.000 0.452 749 P HA 0.168 nan 4.420 nan 0.000 0.279 749 P C -0.862 176.306 177.300 -0.220 0.000 1.276 749 P CA -0.579 62.220 63.100 -0.500 0.000 0.801 749 P CB 0.302 31.679 31.700 -0.539 0.000 1.127 750 Y N 0.491 120.665 120.300 -0.211 0.000 2.811 750 Y HA 0.140 4.690 4.550 -0.001 0.000 0.334 750 Y C -0.268 175.728 175.900 0.160 0.000 1.247 750 Y CA 1.405 59.507 58.100 0.004 0.000 1.526 750 Y CB 0.085 38.572 38.460 0.045 0.000 1.284 750 Y HN 0.192 nan 8.280 nan 0.000 0.586 751 S N 7.123 122.448 115.700 -0.624 0.000 2.575 751 S HA 0.160 4.630 4.470 -0.001 0.000 0.278 751 S C -0.000 174.168 174.600 -0.719 0.000 1.139 751 S CA -0.813 57.087 58.200 -0.501 0.000 0.954 751 S CB 0.971 64.060 63.200 -0.185 0.000 1.054 751 S HN 0.738 nan 8.310 nan 0.000 0.483 752 F N 3.709 123.356 119.950 -0.505 0.000 2.161 752 F HA -0.120 4.406 4.527 -0.001 0.000 0.300 752 F C 2.470 178.237 175.800 -0.055 0.000 1.089 752 F CA 2.032 59.993 58.000 -0.064 0.000 1.282 752 F CB -0.578 38.595 39.000 0.288 0.000 1.010 752 F HN 0.655 nan 8.300 nan 0.000 0.485 753 S N -0.903 114.691 115.700 -0.177 0.000 2.547 753 S HA -0.126 4.344 4.470 -0.001 0.000 0.235 753 S C 1.561 176.042 174.600 -0.199 0.000 0.980 753 S CA 0.901 58.961 58.200 -0.233 0.000 0.941 753 S CB -0.559 62.560 63.200 -0.135 0.000 0.763 753 S HN 0.558 nan 8.310 nan 0.000 0.532 754 K N 0.394 120.682 120.400 -0.187 0.000 2.402 754 K HA 0.268 4.587 4.320 -0.001 0.000 0.204 754 K C 0.627 177.183 176.600 -0.072 0.000 1.056 754 K CA -0.251 55.961 56.287 -0.125 0.000 1.069 754 K CB 0.434 32.867 32.500 -0.112 0.000 0.888 754 K HN 0.515 nan 8.250 nan 0.000 0.546 755 E N 0.000 120.172 120.200 -0.047 0.000 2.725 755 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 755 E CA 0.000 56.481 56.400 0.135 0.000 0.976 755 E CB 0.000 29.911 29.700 0.352 0.000 0.812 755 E HN 0.000 nan 8.360 nan 0.000 0.440