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 1lf9_1_A DATA FIRST_RESID 11 DATA SEQUENCE SIKIDRFNNI SAVNGPGEED TWASAQKQGV GTANNYVSKV WFTLANGAIS DATA SEQUENCE EVYYPTIDTA DVKEIKFIVT DGKSFVPDET KDAISKVEKF TDKSLGYKLV DATA SEQUENCE NTDKKGRYRI TKDIFTDVKR NSLIMKAKFE ALEGSIHDYK LYLAYDPHIK DATA SEQUENCE NQGSYNEGYV IKANNNEMLM AKRDNVYTAL SSNIGWKGYS IGYYKVNDIM DATA SEQUENCE TDLDENKQMT KHYDSARGNI IEGAEIDLTK NSEFEIVLSF GQSDSEAAKT DATA SEQUENCE ALETLGEDYN NLKNNYIDEW TKYCNTLNNF NGKANSLYYN SMMILKASED DATA SEQUENCE KTNKGAYIAS LSIPWGDGQR DDNTGGYHLV WSRDLYHVAN AFIAAGDVDS DATA SEQUENCE ANRSLDYLAK VVKDNGMIPQ NTWISGKPYW TGIQLDEQAD PIILSYRLKR DATA SEQUENCE YDLYDSLVKP LADFIIKIGP KTGQERWEEI GGYSPATMAA EVAGLTCAAY DATA SEQUENCE IAEQNKDYES AQKYQEKADN WQKLIDNLTY TENGPLGNGQ YYIRIAGLSD DATA SEQUENCE PDADFMINIA NGGGVYDQKE IVDPSFLELV RLGVKSADDP KILNTLKVVD DATA SEQUENCE STIKVDTPKG PSWYRYNHDG YGEPSKTELY HGAGKGRLWP LLTGERGMYE DATA SEQUENCE IAAGKDATPY VKAMEKFANE GGIISEQVWE DTGLPTDSAS PLNWAHAEYV DATA SEQUENCE ILFASNIEHK VLDMPDIVYK RYVA 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 11 S HA 0.000 nan 4.470 nan 0.000 0.327 11 S C 0.000 174.603 174.600 0.004 0.000 1.055 11 S CA 0.000 58.202 58.200 0.004 0.000 1.107 11 S CB 0.000 63.202 63.200 0.003 0.000 0.593 12 I N 0.939 121.511 120.570 0.004 0.000 2.910 12 I HA 0.693 4.864 4.170 0.002 0.000 0.310 12 I C -0.758 175.364 176.117 0.008 0.000 1.043 12 I CA -0.957 60.347 61.300 0.006 0.000 1.053 12 I CB 1.905 39.907 38.000 0.004 0.000 1.242 12 I HN 0.179 nan 8.210 nan 0.000 0.452 13 K N 4.012 124.420 120.400 0.013 0.000 2.240 13 K HA 0.620 4.942 4.320 0.002 0.000 0.271 13 K C -1.419 175.197 176.600 0.027 0.000 1.018 13 K CA -0.521 55.777 56.287 0.019 0.000 0.874 13 K CB 1.078 33.590 32.500 0.020 0.000 1.098 13 K HN 0.664 nan 8.250 nan 0.000 0.458 14 I N 3.212 123.799 120.570 0.029 0.000 2.441 14 I HA 0.255 4.426 4.170 0.002 0.000 0.295 14 I C -1.030 175.122 176.117 0.058 0.000 0.994 14 I CA -0.934 60.391 61.300 0.041 0.000 1.144 14 I CB 2.037 40.054 38.000 0.027 0.000 1.314 14 I HN 0.599 nan 8.210 nan 0.000 0.445 15 D N 4.740 125.195 120.400 0.093 0.000 2.542 15 D HA 0.331 4.972 4.640 0.002 0.000 0.252 15 D C -0.548 175.858 176.300 0.176 0.000 1.222 15 D CA -0.580 53.500 54.000 0.133 0.000 0.895 15 D CB 1.484 42.379 40.800 0.158 0.000 1.207 15 D HN 0.325 nan 8.370 nan 0.000 0.558 16 R N 2.564 123.125 120.500 0.102 0.000 2.368 16 R HA 0.655 4.997 4.340 0.002 0.000 0.302 16 R C -1.202 175.141 176.300 0.072 0.000 1.002 16 R CA -0.637 55.456 56.100 -0.011 0.000 0.929 16 R CB 0.555 30.817 30.300 -0.064 0.000 1.073 16 R HN 0.415 nan 8.270 nan 0.000 0.464 17 F N 1.368 121.348 119.950 0.051 0.000 2.576 17 F HA 0.487 5.015 4.527 0.002 0.000 0.313 17 F C -0.958 174.879 175.800 0.062 0.000 1.078 17 F CA -1.360 56.670 58.000 0.051 0.000 0.921 17 F CB 1.598 40.638 39.000 0.066 0.000 1.232 17 F HN 0.386 nan 8.300 nan 0.000 0.459 18 N N 1.777 120.606 118.700 0.216 0.000 2.762 18 N HA 0.352 5.093 4.740 0.002 0.000 0.252 18 N C -0.978 174.645 175.510 0.189 0.000 1.269 18 N CA -0.386 52.754 53.050 0.150 0.000 0.799 18 N CB 0.367 38.887 38.487 0.055 0.000 1.173 18 N HN 0.814 nan 8.380 nan 0.000 0.516 19 N N 1.498 120.357 118.700 0.264 0.000 2.368 19 N HA 0.273 5.014 4.740 0.002 0.000 0.178 19 N C -0.379 175.233 175.510 0.169 0.000 1.021 19 N CA 0.647 53.815 53.050 0.196 0.000 0.875 19 N CB 0.603 39.208 38.487 0.196 0.000 1.020 19 N HN 0.369 nan 8.380 nan 0.000 0.433 20 I N 0.432 121.128 120.570 0.210 0.000 2.500 20 I HA 0.223 4.394 4.170 0.002 0.000 0.286 20 I C -1.021 175.242 176.117 0.244 0.000 1.063 20 I CA -0.547 60.884 61.300 0.220 0.000 1.062 20 I CB 2.173 40.319 38.000 0.242 0.000 1.223 20 I HN -0.143 nan 8.210 nan 0.000 0.435 21 S N 4.273 120.073 115.700 0.166 0.000 2.499 21 S HA 0.613 5.085 4.470 0.002 0.000 0.279 21 S C 0.486 175.062 174.600 -0.041 0.000 1.219 21 S CA -0.646 57.603 58.200 0.082 0.000 1.062 21 S CB 1.528 64.757 63.200 0.048 0.000 0.978 21 S HN 0.724 nan 8.310 nan 0.000 0.489 22 A N 2.818 125.472 122.820 -0.277 0.000 2.555 22 A HA 0.372 4.694 4.320 0.002 0.000 0.233 22 A C 0.513 177.869 177.584 -0.380 0.000 1.060 22 A CA -0.246 51.216 52.037 -0.958 0.000 0.759 22 A CB -0.253 18.223 19.000 -0.873 0.000 0.995 22 A HN 1.000 nan 8.150 nan 0.000 0.506 23 V N -0.449 119.211 119.914 -0.422 0.000 3.096 23 V HA 0.658 4.779 4.120 0.002 0.000 0.319 23 V C 0.134 176.229 176.094 0.002 0.000 1.103 23 V CA -0.845 61.407 62.300 -0.079 0.000 1.016 23 V CB 1.469 33.267 31.823 -0.042 0.000 1.090 23 V HN 1.027 nan 8.190 nan 0.000 0.449 24 N N 0.731 119.392 118.700 -0.065 0.000 2.727 24 N HA -0.128 4.613 4.740 0.002 0.000 0.251 24 N C 0.380 175.675 175.510 -0.359 0.000 1.040 24 N CA 1.099 54.070 53.050 -0.132 0.000 0.712 24 N CB -1.242 37.212 38.487 -0.054 0.000 0.912 24 N HN 1.427 nan 8.380 nan 0.000 0.545 25 G N 0.679 109.074 108.800 -0.675 0.000 2.553 25 G HA2 0.397 4.359 3.960 0.002 0.000 0.278 25 G HA3 0.397 4.359 3.960 0.002 0.000 0.278 25 G C -0.608 173.931 174.900 -0.603 0.000 1.349 25 G CA -0.375 43.902 45.100 -1.371 0.000 1.037 25 G HN 0.142 nan 8.290 nan 0.000 0.508 26 P HA 0.260 nan 4.420 nan 0.000 0.261 26 P C 0.540 177.677 177.300 -0.272 0.000 1.352 26 P CA 0.794 63.586 63.100 -0.513 0.000 0.891 26 P CB 0.301 31.919 31.700 -0.137 0.000 1.383 27 G N 0.588 109.245 108.800 -0.239 0.000 2.663 27 G HA2 -0.115 3.846 3.960 0.002 0.000 0.686 27 G HA3 -0.115 3.846 3.960 0.002 0.000 0.686 27 G C -0.843 174.098 174.900 0.070 0.000 1.246 27 G CA -0.897 44.248 45.100 0.074 0.000 0.795 27 G HN 0.090 nan 8.290 nan 0.000 0.627 28 E N 0.711 120.974 120.200 0.105 0.000 2.374 28 E HA 0.253 4.604 4.350 0.002 0.000 0.260 28 E C 0.897 177.631 176.600 0.224 0.000 1.101 28 E CA -0.207 56.251 56.400 0.096 0.000 0.907 28 E CB 0.638 30.325 29.700 -0.022 0.000 1.014 28 E HN 0.591 nan 8.360 nan 0.000 0.427 29 E N 1.071 121.359 120.200 0.147 0.000 2.384 29 E HA 0.004 4.355 4.350 0.002 0.000 0.266 29 E C -0.294 176.429 176.600 0.205 0.000 1.012 29 E CA 0.225 56.697 56.400 0.120 0.000 0.901 29 E CB 0.660 30.403 29.700 0.071 0.000 0.967 29 E HN 0.265 nan 8.360 nan 0.000 0.435 30 D N 0.376 120.796 120.400 0.033 0.000 2.592 30 D HA 0.397 5.038 4.640 0.002 0.000 0.259 30 D C -0.345 175.919 176.300 -0.060 0.000 1.144 30 D CA -0.234 53.722 54.000 -0.072 0.000 1.080 30 D CB 1.532 42.103 40.800 -0.382 0.000 1.225 30 D HN 0.483 nan 8.370 nan 0.000 0.619 31 T N -3.556 110.966 114.554 -0.053 0.000 2.669 31 T HA 0.577 4.929 4.350 0.002 0.000 0.283 31 T C -0.564 174.089 174.700 -0.078 0.000 1.019 31 T CA -0.803 61.292 62.100 -0.008 0.000 1.039 31 T CB 0.658 69.600 68.868 0.124 0.000 1.374 31 T HN 0.432 nan 8.240 nan 0.000 0.523 32 W N 0.129 121.528 121.300 0.165 0.000 2.365 32 W HA 0.738 5.399 4.660 0.002 0.000 0.410 32 W C 0.704 177.255 176.519 0.054 0.000 1.634 32 W CA -0.657 56.758 57.345 0.116 0.000 1.761 32 W CB 0.693 30.239 29.460 0.143 0.000 1.485 32 W HN 0.998 nan 8.180 nan 0.000 0.706 33 A N 0.413 123.439 122.820 0.343 0.000 2.257 33 A HA 0.453 4.774 4.320 0.002 0.000 0.289 33 A C -0.077 177.591 177.584 0.141 0.000 1.095 33 A CA -0.447 51.696 52.037 0.175 0.000 0.836 33 A CB 0.428 19.505 19.000 0.128 0.000 1.111 33 A HN 0.423 nan 8.150 nan 0.000 0.497 34 S N -0.444 115.308 115.700 0.087 0.000 2.549 34 S HA 0.295 4.767 4.470 0.002 0.000 0.286 34 S C 1.229 175.819 174.600 -0.017 0.000 1.314 34 S CA 0.033 58.257 58.200 0.040 0.000 1.062 34 S CB 0.530 63.752 63.200 0.036 0.000 0.865 34 S HN 1.451 nan 8.310 nan 0.000 0.498 35 A N 3.662 126.418 122.820 -0.106 0.000 2.119 35 A HA 0.074 4.396 4.320 0.002 0.000 0.217 35 A C 1.202 178.669 177.584 -0.196 0.000 1.153 35 A CA 0.676 52.595 52.037 -0.196 0.000 0.692 35 A CB -0.406 18.358 19.000 -0.394 0.000 0.799 35 A HN 0.837 nan 8.150 nan 0.000 0.458 36 Q N 1.754 121.460 119.800 -0.156 0.000 2.286 36 Q HA 0.194 4.536 4.340 0.002 0.000 0.265 36 Q C -0.871 175.077 176.000 -0.086 0.000 1.080 36 Q CA 0.293 56.019 55.803 -0.129 0.000 0.906 36 Q CB 0.281 28.969 28.738 -0.083 0.000 1.227 36 Q HN 0.158 nan 8.270 nan 0.000 0.409 37 K N 3.944 124.286 120.400 -0.097 0.000 2.138 37 K HA 0.205 4.526 4.320 0.002 0.000 0.263 37 K C 0.120 176.663 176.600 -0.094 0.000 0.965 37 K CA -0.484 55.750 56.287 -0.089 0.000 0.868 37 K CB 1.400 33.838 32.500 -0.103 0.000 1.083 37 K HN 0.710 nan 8.250 nan 0.000 0.443 38 Q N 0.172 119.905 119.800 -0.111 0.000 2.354 38 Q HA 0.129 4.470 4.340 0.002 0.000 0.203 38 Q C 0.455 176.318 176.000 -0.229 0.000 0.933 38 Q CA 0.350 56.082 55.803 -0.117 0.000 0.901 38 Q CB 0.635 29.318 28.738 -0.093 0.000 1.007 38 Q HN 0.813 nan 8.270 nan 0.000 0.495 39 G N -0.264 108.303 108.800 -0.388 0.000 2.489 39 G HA2 0.444 4.405 3.960 0.002 0.000 0.291 39 G HA3 0.444 4.405 3.960 0.002 0.000 0.291 39 G C -1.649 172.924 174.900 -0.544 0.000 1.487 39 G CA -0.341 44.343 45.100 -0.694 0.000 0.795 39 G HN 0.099 nan 8.290 nan 0.000 0.513 40 V N -2.107 117.589 119.914 -0.364 0.000 3.114 40 V HA 1.085 5.207 4.120 0.002 0.000 0.308 40 V C 0.185 176.018 176.094 -0.436 0.000 1.168 40 V CA -0.066 61.986 62.300 -0.414 0.000 1.015 40 V CB 1.519 33.203 31.823 -0.232 0.000 1.050 40 V HN 2.413 nan 8.190 nan 0.000 0.433 41 G N -0.206 108.076 108.800 -0.863 0.000 2.506 41 G HA2 0.752 4.713 3.960 0.002 0.000 0.292 41 G HA3 0.752 4.713 3.960 0.002 0.000 0.292 41 G C -0.975 173.881 174.900 -0.072 0.000 1.425 41 G CA 0.149 44.989 45.100 -0.432 0.000 0.788 41 G HN 1.636 nan 8.290 nan 0.000 0.490 42 T N -1.735 113.082 114.554 0.439 0.000 2.843 42 T HA 0.655 5.006 4.350 0.002 0.000 0.337 42 T C -0.451 174.559 174.700 0.517 0.000 1.754 42 T CA 0.611 62.925 62.100 0.356 0.000 1.052 42 T CB 0.877 69.612 68.868 -0.221 0.000 1.588 42 T HN 2.117 nan 8.240 nan 0.000 0.493 43 A N 2.401 125.389 122.820 0.281 0.000 2.445 43 A HA 0.450 4.772 4.320 0.002 0.000 0.242 43 A C 0.586 177.904 177.584 -0.444 0.000 1.075 43 A CA -0.090 51.947 52.037 0.000 0.000 0.777 43 A CB -0.175 18.844 19.000 0.031 0.000 1.013 43 A HN 0.745 nan 8.150 nan 0.000 0.493 44 N N 2.133 120.229 118.700 -1.007 0.000 3.303 44 N HA 0.086 4.828 4.740 0.002 0.000 0.304 44 N C -0.598 174.454 175.510 -0.763 0.000 1.302 44 N CA -0.002 52.300 53.050 -1.247 0.000 1.213 44 N CB -0.601 36.702 38.487 -1.974 0.000 1.481 44 N HN 0.768 nan 8.380 nan 0.000 0.546 45 N N -0.862 117.469 118.700 -0.614 0.000 2.961 45 N HA 0.021 4.762 4.740 0.002 0.000 0.245 45 N C -0.578 174.629 175.510 -0.505 0.000 1.404 45 N CA -0.543 52.209 53.050 -0.496 0.000 0.880 45 N CB 0.338 38.660 38.487 -0.275 0.000 1.461 45 N HN -0.015 nan 8.380 nan 0.000 0.510 46 Y N 0.001 120.220 120.300 -0.136 0.000 2.490 46 Y HA 0.128 4.679 4.550 0.002 0.000 0.281 46 Y C 2.096 177.946 175.900 -0.083 0.000 1.174 46 Y CA -0.031 58.007 58.100 -0.103 0.000 1.295 46 Y CB 0.384 38.803 38.460 -0.069 0.000 1.062 46 Y HN 0.332 nan 8.280 nan 0.000 0.522 47 V N -1.216 118.710 119.914 0.020 0.000 2.283 47 V HA -0.187 3.934 4.120 0.002 0.000 0.243 47 V C 1.356 177.451 176.094 0.000 0.000 1.039 47 V CA 1.436 63.748 62.300 0.020 0.000 1.016 47 V CB -0.477 31.351 31.823 0.008 0.000 0.650 47 V HN 0.213 nan 8.190 nan 0.000 0.449 48 S N 1.126 116.795 115.700 -0.050 0.000 2.700 48 S HA 0.108 4.580 4.470 0.002 0.000 0.321 48 S C 0.506 175.003 174.600 -0.172 0.000 1.161 48 S CA -0.412 57.757 58.200 -0.052 0.000 1.078 48 S CB -0.583 62.598 63.200 -0.032 0.000 1.302 48 S HN 0.453 nan 8.310 nan 0.000 0.540 49 K N 3.784 124.131 120.400 -0.089 0.000 2.751 49 K HA 0.245 4.566 4.320 0.002 0.000 0.252 49 K C -0.895 175.626 176.600 -0.132 0.000 1.277 49 K CA -0.178 55.991 56.287 -0.196 0.000 1.226 49 K CB 0.066 32.584 32.500 0.030 0.000 1.658 49 K HN 0.320 nan 8.250 nan 0.000 0.303 50 V N 1.175 120.881 119.914 -0.348 0.000 2.686 50 V HA 0.387 4.509 4.120 0.002 0.000 0.306 50 V C -0.752 175.282 176.094 -0.100 0.000 1.065 50 V CA -1.024 61.228 62.300 -0.079 0.000 0.894 50 V CB 1.834 33.667 31.823 0.017 0.000 1.004 50 V HN 0.475 nan 8.190 nan 0.000 0.424 51 W N 4.884 126.301 121.300 0.196 0.000 2.761 51 W HA 0.712 5.373 4.660 0.002 0.000 0.340 51 W C -0.741 175.987 176.519 0.348 0.000 1.072 51 W CA -0.677 56.797 57.345 0.215 0.000 1.215 51 W CB 2.287 31.783 29.460 0.060 0.000 1.420 51 W HN 0.655 nan 8.180 nan 0.000 0.519 52 F N -0.081 120.110 119.950 0.401 0.000 2.620 52 F HA 0.832 5.360 4.527 0.002 0.000 0.320 52 F C -0.474 175.463 175.800 0.228 0.000 1.069 52 F CA -1.089 57.089 58.000 0.296 0.000 0.953 52 F CB 1.510 40.630 39.000 0.199 0.000 1.322 52 F HN 0.116 nan 8.300 nan 0.000 0.479 53 T N 0.256 114.972 114.554 0.271 0.000 2.903 53 T HA 0.784 5.136 4.350 0.002 0.000 0.299 53 T C -1.382 173.404 174.700 0.144 0.000 1.093 53 T CA -0.868 61.278 62.100 0.076 0.000 1.002 53 T CB 1.716 70.639 68.868 0.092 0.000 1.127 53 T HN 0.869 nan 8.240 nan 0.000 0.488 54 L N 1.308 122.535 121.223 0.005 0.000 2.362 54 L HA 0.918 5.260 4.340 0.002 0.000 0.271 54 L C -0.227 176.628 176.870 -0.025 0.000 1.002 54 L CA -1.238 53.604 54.840 0.003 0.000 0.818 54 L CB 1.976 43.984 42.059 -0.085 0.000 1.298 54 L HN 1.119 nan 8.230 nan 0.000 0.420 55 A N 1.518 124.344 122.820 0.010 0.000 2.566 55 A HA 0.494 4.815 4.320 0.002 0.000 0.297 55 A C -0.265 177.338 177.584 0.031 0.000 1.059 55 A CA -0.615 51.428 52.037 0.009 0.000 0.691 55 A CB 1.059 20.069 19.000 0.017 0.000 1.282 55 A HN 0.906 nan 8.150 nan 0.000 0.401 56 N N 0.643 119.361 118.700 0.031 0.000 2.716 56 N HA -0.213 4.528 4.740 0.002 0.000 0.250 56 N C 0.963 176.511 175.510 0.064 0.000 1.033 56 N CA 1.586 54.664 53.050 0.048 0.000 0.727 56 N CB -0.714 37.808 38.487 0.057 0.000 0.950 56 N HN 2.316 nan 8.380 nan 0.000 0.541 57 G N -2.074 106.760 108.800 0.058 0.000 2.168 57 G HA2 -0.117 3.845 3.960 0.002 0.000 0.263 57 G HA3 -0.117 3.845 3.960 0.002 0.000 0.263 57 G C 0.085 175.044 174.900 0.100 0.000 0.977 57 G CA 0.562 45.710 45.100 0.080 0.000 0.659 57 G HN 1.061 nan 8.290 nan 0.000 0.533 58 A N -0.986 121.882 122.820 0.081 0.000 2.566 58 A HA 0.812 5.134 4.320 0.002 0.000 0.292 58 A C 0.006 177.631 177.584 0.068 0.000 1.112 58 A CA -0.692 51.393 52.037 0.080 0.000 0.707 58 A CB 1.037 20.082 19.000 0.076 0.000 1.302 58 A HN 0.745 nan 8.150 nan 0.000 0.409 59 I N 2.214 122.824 120.570 0.067 0.000 2.683 59 I HA 0.095 4.267 4.170 0.002 0.000 0.286 59 I C 1.334 177.509 176.117 0.096 0.000 1.175 59 I CA 0.371 61.731 61.300 0.099 0.000 1.429 59 I CB 0.747 38.798 38.000 0.086 0.000 1.371 59 I HN 0.859 nan 8.210 nan 0.000 0.569 60 S N 4.875 120.646 115.700 0.119 0.000 4.041 60 S HA 0.298 4.770 4.470 0.002 0.000 0.194 60 S C 0.012 174.688 174.600 0.126 0.000 0.942 60 S CA -0.728 57.532 58.200 0.100 0.000 1.642 60 S CB -0.191 63.063 63.200 0.091 0.000 0.665 60 S HN 0.536 nan 8.310 nan 0.000 0.698 61 E N 0.653 120.936 120.200 0.139 0.000 2.392 61 E HA 0.509 4.860 4.350 0.002 0.000 0.264 61 E C -1.170 175.506 176.600 0.127 0.000 1.024 61 E CA -0.110 56.341 56.400 0.086 0.000 0.903 61 E CB 0.782 30.478 29.700 -0.006 0.000 0.963 61 E HN 0.366 nan 8.360 nan 0.000 0.432 62 V N 3.328 123.269 119.914 0.045 0.000 2.656 62 V HA 0.363 4.484 4.120 0.002 0.000 0.307 62 V C -1.055 175.036 176.094 -0.004 0.000 1.051 62 V CA -0.886 61.547 62.300 0.222 0.000 0.893 62 V CB 0.832 32.880 31.823 0.375 0.000 0.999 62 V HN 0.571 nan 8.190 nan 0.000 0.426 63 Y N 3.634 124.045 120.300 0.184 0.000 2.446 63 Y HA 0.791 5.342 4.550 0.002 0.000 0.338 63 Y C -0.550 175.440 175.900 0.151 0.000 1.055 63 Y CA -0.681 57.499 58.100 0.133 0.000 1.101 63 Y CB 2.027 40.514 38.460 0.046 0.000 1.221 63 Y HN 0.699 nan 8.280 nan 0.000 0.460 64 Y N 3.652 123.995 120.300 0.071 0.000 0.000 64 Y HA 0.224 4.775 4.550 0.002 0.000 0.000 64 Y C -2.819 173.128 175.900 0.079 0.000 0.000 64 Y CA -1.793 56.292 58.100 -0.024 0.000 0.000 64 Y CB 2.008 40.092 38.460 -0.626 0.000 0.000 64 Y HN 0.299 nan 8.280 nan 0.000 0.000 65 P HA 0.113 nan 4.420 nan 0.000 0.261 65 P C -0.266 177.021 177.300 -0.022 0.000 1.268 65 P CA 0.558 63.195 63.100 -0.772 0.000 0.833 65 P CB 0.608 31.731 31.700 -0.961 0.000 1.231 66 T N -3.654 110.919 114.554 0.032 0.000 2.907 66 T HA 0.407 4.758 4.350 0.002 0.000 0.292 66 T C 0.803 175.336 174.700 -0.279 0.000 1.043 66 T CA -0.791 61.311 62.100 0.003 0.000 1.003 66 T CB 1.497 70.340 68.868 -0.043 0.000 1.084 66 T HN -0.181 nan 8.240 nan 0.000 0.483 67 I N 1.130 121.194 120.570 -0.843 0.000 3.241 67 I HA -0.065 4.106 4.170 0.002 0.000 0.280 67 I C 0.821 176.511 176.117 -0.712 0.000 1.320 67 I CA 1.124 61.637 61.300 -1.312 0.000 1.413 67 I CB -0.020 37.056 38.000 -1.541 0.000 1.060 67 I HN 0.766 nan 8.210 nan 0.000 0.500 68 D N -1.151 119.076 120.400 -0.287 0.000 2.462 68 D HA 0.050 4.691 4.640 0.002 0.000 0.221 68 D C -0.004 176.320 176.300 0.040 0.000 1.173 68 D CA -0.031 53.930 54.000 -0.065 0.000 0.831 68 D CB -0.124 40.846 40.800 0.283 0.000 1.001 68 D HN 0.011 nan 8.370 nan 0.000 0.499 69 T N 0.890 115.483 114.554 0.065 0.000 3.060 69 T HA 0.621 4.972 4.350 0.002 0.000 0.367 69 T C -0.093 174.644 174.700 0.061 0.000 1.229 69 T CA -0.584 61.575 62.100 0.099 0.000 1.104 69 T CB 1.005 69.919 68.868 0.078 0.000 1.083 69 T HN 0.287 nan 8.240 nan 0.000 0.524 70 A N 2.034 124.754 122.820 -0.166 0.000 2.363 70 A HA 0.523 4.845 4.320 0.002 0.000 0.270 70 A C 0.601 178.205 177.584 0.032 0.000 1.121 70 A CA -0.445 51.273 52.037 -0.532 0.000 0.800 70 A CB 0.343 18.899 19.000 -0.739 0.000 1.052 70 A HN 0.709 nan 8.150 nan 0.000 0.493 71 D N 0.802 121.258 120.400 0.093 0.000 2.500 71 D HA 0.228 4.869 4.640 0.002 0.000 0.218 71 D C -0.392 176.070 176.300 0.270 0.000 1.140 71 D CA 0.595 54.766 54.000 0.284 0.000 0.830 71 D CB 0.963 42.037 40.800 0.457 0.000 1.055 71 D HN 0.249 nan 8.370 nan 0.000 0.512 72 V N 1.030 121.067 119.914 0.204 0.000 2.971 72 V HA 0.229 4.351 4.120 0.002 0.000 0.309 72 V C 0.795 176.879 176.094 -0.017 0.000 1.130 72 V CA -0.794 61.561 62.300 0.092 0.000 0.964 72 V CB 3.518 35.487 31.823 0.243 0.000 1.029 72 V HN -0.224 nan 8.190 nan 0.000 0.427 73 K N 1.353 121.556 120.400 -0.328 0.000 2.225 73 K HA 0.364 4.686 4.320 0.002 0.000 0.204 73 K C 0.191 176.702 176.600 -0.149 0.000 1.047 73 K CA 0.578 56.637 56.287 -0.380 0.000 0.970 73 K CB 0.637 32.534 32.500 -1.005 0.000 0.939 73 K HN 0.823 nan 8.250 nan 0.000 0.472 74 E N -0.321 119.781 120.200 -0.163 0.000 2.433 74 E HA 0.423 4.775 4.350 0.002 0.000 0.278 74 E C -1.276 175.331 176.600 0.011 0.000 0.976 74 E CA -0.702 55.668 56.400 -0.050 0.000 0.793 74 E CB 2.694 32.356 29.700 -0.062 0.000 1.311 74 E HN 0.071 nan 8.360 nan 0.000 0.460 75 I N 2.483 123.070 120.570 0.029 0.000 2.605 75 I HA 0.173 4.344 4.170 0.002 0.000 0.276 75 I C -0.975 175.095 176.117 -0.078 0.000 1.161 75 I CA -0.424 60.885 61.300 0.015 0.000 1.064 75 I CB 1.013 39.034 38.000 0.034 0.000 1.238 75 I HN 0.414 nan 8.210 nan 0.000 0.487 76 K N 3.483 123.820 120.400 -0.104 0.000 2.395 76 K HA 0.747 5.068 4.320 0.002 0.000 0.245 76 K C -1.452 175.047 176.600 -0.167 0.000 1.017 76 K CA -0.800 55.431 56.287 -0.092 0.000 0.852 76 K CB 2.203 34.725 32.500 0.036 0.000 1.311 76 K HN -0.012 nan 8.250 nan 0.000 0.452 77 F N 0.813 120.849 119.950 0.144 0.000 2.450 77 F HA 0.462 4.990 4.527 0.002 0.000 0.332 77 F C -0.193 175.688 175.800 0.135 0.000 1.093 77 F CA -1.101 56.992 58.000 0.155 0.000 1.003 77 F CB 1.436 40.543 39.000 0.178 0.000 1.151 77 F HN 0.251 nan 8.300 nan 0.000 0.474 78 I N 3.882 124.675 120.570 0.373 0.000 2.418 78 I HA 0.365 4.536 4.170 0.002 0.000 0.287 78 I C -0.695 175.575 176.117 0.254 0.000 1.008 78 I CA -0.753 60.700 61.300 0.256 0.000 1.104 78 I CB 1.359 39.479 38.000 0.200 0.000 1.264 78 I HN 0.271 nan 8.210 nan 0.000 0.438 79 V N 6.279 126.262 119.914 0.115 0.000 2.667 79 V HA 0.833 4.954 4.120 0.002 0.000 0.308 79 V C -0.456 175.773 176.094 0.224 0.000 1.048 79 V CA 0.094 62.420 62.300 0.043 0.000 0.928 79 V CB 2.216 33.834 31.823 -0.341 0.000 1.004 79 V HN 0.953 nan 8.190 nan 0.000 0.444 80 T N 2.285 116.998 114.554 0.263 0.000 2.821 80 T HA 0.378 4.730 4.350 0.002 0.000 0.306 80 T C -0.472 174.236 174.700 0.013 0.000 1.313 80 T CA 0.175 62.377 62.100 0.169 0.000 1.012 80 T CB 1.743 70.665 68.868 0.090 0.000 1.298 80 T HN 0.917 nan 8.240 nan 0.000 0.502 81 D N 0.243 120.326 120.400 -0.529 0.000 2.349 81 D HA 0.233 4.875 4.640 0.002 0.000 0.214 81 D C 1.466 177.596 176.300 -0.283 0.000 1.063 81 D CA 0.747 54.469 54.000 -0.462 0.000 0.847 81 D CB -0.414 39.908 40.800 -0.796 0.000 0.933 81 D HN 1.141 nan 8.370 nan 0.000 0.513 82 G N 0.681 109.363 108.800 -0.197 0.000 2.166 82 G HA2 -0.394 3.567 3.960 0.002 0.000 0.260 82 G HA3 -0.394 3.567 3.960 0.002 0.000 0.260 82 G C 0.874 175.696 174.900 -0.130 0.000 0.986 82 G CA 1.075 46.111 45.100 -0.106 0.000 0.683 82 G HN 0.520 nan 8.290 nan 0.000 0.527 83 K N -1.235 119.046 120.400 -0.198 0.000 2.638 83 K HA 0.251 4.572 4.320 0.002 0.000 0.207 83 K C 2.461 178.983 176.600 -0.131 0.000 1.429 83 K CA 0.717 56.916 56.287 -0.147 0.000 0.957 83 K CB -0.116 32.300 32.500 -0.140 0.000 1.733 83 K HN 0.401 nan 8.250 nan 0.000 0.474 84 S N 0.806 116.392 115.700 -0.189 0.000 2.811 84 S HA 0.187 4.659 4.470 0.002 0.000 0.237 84 S C 0.588 175.188 174.600 0.001 0.000 1.038 84 S CA -0.536 57.624 58.200 -0.066 0.000 0.881 84 S CB -0.448 62.769 63.200 0.029 0.000 0.815 84 S HN 0.219 nan 8.310 nan 0.000 0.582 85 F N 1.579 121.575 119.950 0.078 0.000 2.403 85 F HA 0.854 5.382 4.527 0.002 0.000 0.326 85 F C -0.717 175.139 175.800 0.095 0.000 1.081 85 F CA -1.669 56.388 58.000 0.094 0.000 1.041 85 F CB 1.190 40.268 39.000 0.131 0.000 1.234 85 F HN -0.071 nan 8.300 nan 0.000 0.503 86 V N 3.066 123.213 119.914 0.388 0.000 2.658 86 V HA 0.297 4.418 4.120 0.002 0.000 0.259 86 V C -2.494 173.753 176.094 0.254 0.000 0.933 86 V CA -1.005 61.453 62.300 0.264 0.000 0.871 86 V CB 0.729 32.617 31.823 0.109 0.000 1.062 86 V HN 0.753 nan 8.190 nan 0.000 0.479 87 P HA 0.377 nan 4.420 nan 0.000 0.290 87 P C -1.160 176.263 177.300 0.205 0.000 1.276 87 P CA -0.096 63.145 63.100 0.235 0.000 0.808 87 P CB 2.042 33.908 31.700 0.276 0.000 0.966 88 D N 1.919 122.428 120.400 0.182 0.000 2.317 88 D HA 0.016 4.657 4.640 0.002 0.000 0.234 88 D C 1.328 177.751 176.300 0.204 0.000 1.112 88 D CA -0.371 53.733 54.000 0.174 0.000 0.840 88 D CB 0.980 41.862 40.800 0.136 0.000 1.078 88 D HN 0.466 nan 8.370 nan 0.000 0.486 89 E N 1.473 121.820 120.200 0.245 0.000 2.171 89 E HA -0.278 4.073 4.350 0.002 0.000 0.197 89 E C 1.205 177.918 176.600 0.190 0.000 0.997 89 E CA 1.657 58.223 56.400 0.276 0.000 0.810 89 E CB -0.472 29.424 29.700 0.327 0.000 0.738 89 E HN 0.489 nan 8.360 nan 0.000 0.467 90 T N -0.862 113.787 114.554 0.157 0.000 3.113 90 T HA -0.031 4.320 4.350 0.002 0.000 0.263 90 T C 1.448 176.208 174.700 0.100 0.000 1.143 90 T CA 1.070 63.240 62.100 0.117 0.000 1.090 90 T CB -0.079 68.849 68.868 0.101 0.000 0.922 90 T HN 0.453 nan 8.240 nan 0.000 0.521 91 K N -0.898 119.567 120.400 0.107 0.000 2.588 91 K HA 0.210 4.532 4.320 0.002 0.000 0.216 91 K C -0.124 176.525 176.600 0.081 0.000 1.382 91 K CA -0.176 56.163 56.287 0.086 0.000 1.008 91 K CB 0.723 33.274 32.500 0.085 0.000 1.138 91 K HN 0.144 nan 8.250 nan 0.000 0.619 92 D N 1.407 121.869 120.400 0.105 0.000 2.503 92 D HA 0.237 4.879 4.640 0.002 0.000 0.218 92 D C -0.336 175.999 176.300 0.059 0.000 1.183 92 D CA 0.039 54.093 54.000 0.090 0.000 0.827 92 D CB 1.564 42.445 40.800 0.134 0.000 1.034 92 D HN 0.292 nan 8.370 nan 0.000 0.510 93 A N 0.743 123.600 122.820 0.062 0.000 2.435 93 A HA 0.573 4.894 4.320 0.002 0.000 0.304 93 A C -0.741 176.844 177.584 0.001 0.000 1.064 93 A CA -0.559 51.477 52.037 -0.002 0.000 0.727 93 A CB 1.689 20.722 19.000 0.055 0.000 1.284 93 A HN -0.053 nan 8.150 nan 0.000 0.415 94 I N 1.881 122.429 120.570 -0.036 0.000 2.371 94 I HA 0.295 4.466 4.170 0.002 0.000 0.290 94 I C 0.766 176.880 176.117 -0.005 0.000 1.028 94 I CA 0.308 61.596 61.300 -0.020 0.000 1.345 94 I CB 0.975 38.953 38.000 -0.038 0.000 1.407 94 I HN 0.564 nan 8.210 nan 0.000 0.501 95 S N 7.156 122.865 115.700 0.016 0.000 2.489 95 S HA 0.497 4.969 4.470 0.002 0.000 0.291 95 S C -0.413 174.202 174.600 0.025 0.000 1.151 95 S CA -0.700 57.518 58.200 0.029 0.000 1.082 95 S CB 0.692 63.920 63.200 0.046 0.000 1.019 95 S HN 0.376 nan 8.310 nan 0.000 0.492 96 K N 3.090 123.509 120.400 0.031 0.000 2.376 96 K HA 0.508 4.829 4.320 0.002 0.000 0.257 96 K C -1.135 175.499 176.600 0.057 0.000 0.939 96 K CA -0.594 55.714 56.287 0.034 0.000 0.809 96 K CB 1.686 34.201 32.500 0.025 0.000 1.121 96 K HN 0.445 nan 8.250 nan 0.000 0.425 97 V N 2.354 122.306 119.914 0.064 0.000 2.715 97 V HA 0.595 4.716 4.120 0.002 0.000 0.310 97 V C -1.136 175.027 176.094 0.115 0.000 1.054 97 V CA -0.396 61.965 62.300 0.102 0.000 0.928 97 V CB 1.731 33.610 31.823 0.092 0.000 1.007 97 V HN 0.926 nan 8.190 nan 0.000 0.437 98 E N 4.459 124.750 120.200 0.151 0.000 2.375 98 E HA 0.494 4.845 4.350 0.002 0.000 0.280 98 E C -1.786 174.866 176.600 0.085 0.000 0.972 98 E CA -1.076 55.391 56.400 0.111 0.000 0.782 98 E CB 1.874 31.627 29.700 0.089 0.000 1.229 98 E HN 0.550 nan 8.360 nan 0.000 0.439 99 K N 1.710 122.092 120.400 -0.031 0.000 2.118 99 K HA 0.291 4.612 4.320 0.002 0.000 0.264 99 K C 0.458 177.036 176.600 -0.036 0.000 1.000 99 K CA -0.522 55.612 56.287 -0.255 0.000 0.929 99 K CB 0.804 33.088 32.500 -0.361 0.000 1.021 99 K HN 0.480 nan 8.250 nan 0.000 0.463 100 F N 0.760 120.651 119.950 -0.099 0.000 2.091 100 F HA -0.242 4.286 4.527 0.002 0.000 0.299 100 F C 1.608 177.376 175.800 -0.054 0.000 1.103 100 F CA 0.805 58.775 58.000 -0.050 0.000 1.228 100 F CB -0.003 38.967 39.000 -0.050 0.000 0.984 100 F HN 0.613 nan 8.300 nan 0.000 0.477 101 T N -4.658 109.958 114.554 0.103 0.000 2.792 101 T HA 0.188 4.539 4.350 0.002 0.000 0.303 101 T C -0.184 174.493 174.700 -0.038 0.000 1.310 101 T CA -0.856 61.261 62.100 0.028 0.000 1.007 101 T CB 1.627 70.510 68.868 0.025 0.000 1.335 101 T HN -0.239 nan 8.240 nan 0.000 0.504 102 D N 0.244 120.620 120.400 -0.039 0.000 2.378 102 D HA 0.064 4.706 4.640 0.002 0.000 0.222 102 D C 0.778 177.023 176.300 -0.091 0.000 0.980 102 D CA 0.949 54.921 54.000 -0.047 0.000 0.907 102 D CB 0.103 40.893 40.800 -0.018 0.000 0.899 102 D HN 0.522 nan 8.370 nan 0.000 0.527 103 K N -0.334 120.000 120.400 -0.110 0.000 2.792 103 K HA 0.193 4.515 4.320 0.002 0.000 0.207 103 K C -0.520 176.058 176.600 -0.037 0.000 1.103 103 K CA -0.177 56.042 56.287 -0.113 0.000 1.048 103 K CB 0.990 33.381 32.500 -0.182 0.000 0.777 103 K HN -0.043 nan 8.250 nan 0.000 0.468 104 S N -0.808 114.819 115.700 -0.121 0.000 2.533 104 S HA 0.369 4.840 4.470 0.002 0.000 0.271 104 S C -0.216 174.123 174.600 -0.435 0.000 1.143 104 S CA -0.921 57.178 58.200 -0.168 0.000 0.891 104 S CB 1.033 64.266 63.200 0.056 0.000 1.105 104 S HN 0.153 nan 8.310 nan 0.000 0.468 105 L N 2.326 123.121 121.223 -0.714 0.000 2.998 105 L HA 0.382 4.723 4.340 0.002 0.000 0.234 105 L C 0.951 177.701 176.870 -0.200 0.000 1.350 105 L CA -0.291 54.183 54.840 -0.610 0.000 1.202 105 L CB -0.557 41.086 42.059 -0.693 0.000 1.583 105 L HN 0.943 nan 8.230 nan 0.000 0.456 106 G N -0.821 107.713 108.800 -0.443 0.000 2.389 106 G HA2 0.533 4.494 3.960 0.002 0.000 0.328 106 G HA3 0.533 4.494 3.960 0.002 0.000 0.328 106 G C -1.545 172.413 174.900 -1.569 0.000 1.133 106 G CA -0.190 44.411 45.100 -0.831 0.000 0.891 106 G HN 0.056 nan 8.290 nan 0.000 0.485 107 Y N -0.242 119.468 120.300 -0.983 0.000 2.512 107 Y HA 0.536 5.088 4.550 0.002 0.000 0.348 107 Y C 0.259 176.095 175.900 -0.106 0.000 0.990 107 Y CA -0.938 56.897 58.100 -0.441 0.000 1.033 107 Y CB 2.905 41.325 38.460 -0.067 0.000 1.259 107 Y HN 0.442 nan 8.280 nan 0.000 0.461 108 K N 3.979 124.525 120.400 0.243 0.000 2.450 108 K HA 0.622 4.943 4.320 0.002 0.000 0.257 108 K C -1.949 174.777 176.600 0.209 0.000 0.953 108 K CA -0.349 56.123 56.287 0.310 0.000 0.844 108 K CB 0.764 33.464 32.500 0.333 0.000 1.103 108 K HN 0.742 nan 8.250 nan 0.000 0.429 109 L N 3.991 125.320 121.223 0.176 0.000 2.334 109 L HA 0.528 4.870 4.340 0.002 0.000 0.276 109 L C -0.825 176.105 176.870 0.101 0.000 1.014 109 L CA -1.226 53.691 54.840 0.128 0.000 0.815 109 L CB 2.111 44.242 42.059 0.120 0.000 1.268 109 L HN 0.332 nan 8.230 nan 0.000 0.428 110 V N 2.548 122.506 119.914 0.073 0.000 2.380 110 V HA 0.341 4.463 4.120 0.002 0.000 0.286 110 V C -0.707 175.404 176.094 0.029 0.000 1.015 110 V CA -0.775 61.551 62.300 0.042 0.000 0.834 110 V CB 1.403 33.241 31.823 0.026 0.000 1.009 110 V HN 0.646 nan 8.190 nan 0.000 0.428 111 N N 2.816 121.539 118.700 0.038 0.000 2.437 111 N HA 0.447 5.189 4.740 0.002 0.000 0.259 111 N C -0.235 175.250 175.510 -0.041 0.000 0.983 111 N CA -0.258 52.812 53.050 0.034 0.000 0.937 111 N CB 1.887 40.442 38.487 0.113 0.000 1.122 111 N HN 0.522 nan 8.380 nan 0.000 0.499 112 T N 0.552 115.043 114.554 -0.105 0.000 2.756 112 T HA 0.087 4.438 4.350 0.002 0.000 0.290 112 T C -0.045 174.457 174.700 -0.330 0.000 0.985 112 T CA -0.593 61.372 62.100 -0.225 0.000 0.955 112 T CB 1.020 69.789 68.868 -0.165 0.000 0.930 112 T HN 0.362 nan 8.240 nan 0.000 0.451 113 D N 2.437 122.425 120.400 -0.686 0.000 2.648 113 D HA -0.057 4.585 4.640 0.002 0.000 0.229 113 D C 1.166 177.244 176.300 -0.370 0.000 1.119 113 D CA 0.537 54.068 54.000 -0.782 0.000 0.850 113 D CB 0.787 40.738 40.800 -1.415 0.000 1.169 113 D HN 0.391 nan 8.370 nan 0.000 0.489 114 K N 2.235 122.502 120.400 -0.221 0.000 2.211 114 K HA -0.141 4.180 4.320 0.002 0.000 0.204 114 K C 1.020 177.539 176.600 -0.136 0.000 1.047 114 K CA 1.046 57.253 56.287 -0.133 0.000 0.935 114 K CB 0.060 32.516 32.500 -0.073 0.000 0.728 114 K HN 0.415 nan 8.250 nan 0.000 0.452 115 K N 0.094 120.390 120.400 -0.172 0.000 2.500 115 K HA 0.091 4.412 4.320 0.002 0.000 0.206 115 K C 0.280 176.785 176.600 -0.158 0.000 1.034 115 K CA 0.112 56.314 56.287 -0.143 0.000 1.179 115 K CB 0.789 33.203 32.500 -0.143 0.000 0.884 115 K HN 0.220 nan 8.250 nan 0.000 0.493 116 G N 2.237 110.914 108.800 -0.205 0.000 2.422 116 G HA2 -0.334 3.628 3.960 0.002 0.000 0.301 116 G HA3 -0.334 3.628 3.960 0.002 0.000 0.301 116 G C 0.628 175.431 174.900 -0.163 0.000 0.981 116 G CA 0.685 45.669 45.100 -0.194 0.000 0.994 116 G HN 0.443 nan 8.290 nan 0.000 0.514 117 R N -1.399 118.971 120.500 -0.216 0.000 2.167 117 R HA 0.284 4.625 4.340 0.002 0.000 0.201 117 R C 0.994 177.202 176.300 -0.154 0.000 1.024 117 R CA 1.275 57.343 56.100 -0.055 0.000 1.053 117 R CB 0.307 30.643 30.300 0.059 0.000 0.987 117 R HN 0.741 nan 8.270 nan 0.000 0.493 118 Y N -1.468 118.634 120.300 -0.329 0.000 2.669 118 Y HA 0.639 5.190 4.550 0.002 0.000 0.335 118 Y C -0.996 174.660 175.900 -0.407 0.000 1.116 118 Y CA -1.837 55.942 58.100 -0.535 0.000 1.081 118 Y CB 1.182 39.291 38.460 -0.585 0.000 1.297 118 Y HN -0.318 nan 8.280 nan 0.000 0.484 119 R N 1.975 122.253 120.500 -0.371 0.000 2.510 119 R HA 0.619 4.960 4.340 0.002 0.000 0.287 119 R C -2.361 173.822 176.300 -0.195 0.000 1.084 119 R CA -0.502 55.447 56.100 -0.253 0.000 0.934 119 R CB 1.428 31.589 30.300 -0.233 0.000 1.201 119 R HN 0.939 nan 8.270 nan 0.000 0.431 120 I N 3.342 123.896 120.570 -0.027 0.000 2.406 120 I HA 0.336 4.507 4.170 0.002 0.000 0.290 120 I C -0.391 175.733 176.117 0.012 0.000 0.999 120 I CA -0.776 60.525 61.300 0.001 0.000 1.124 120 I CB 2.426 40.489 38.000 0.104 0.000 1.289 120 I HN 0.517 nan 8.210 nan 0.000 0.441 121 T N 5.981 120.526 114.554 -0.015 0.000 2.807 121 T HA 0.503 4.854 4.350 0.002 0.000 0.279 121 T C -0.490 174.224 174.700 0.023 0.000 0.993 121 T CA -0.848 61.261 62.100 0.014 0.000 0.970 121 T CB 1.565 70.431 68.868 -0.004 0.000 0.950 121 T HN 0.447 nan 8.240 nan 0.000 0.441 122 K N 1.927 122.377 120.400 0.083 0.000 2.385 122 K HA 0.638 4.960 4.320 0.002 0.000 0.248 122 K C -1.506 175.203 176.600 0.181 0.000 0.955 122 K CA -1.067 55.282 56.287 0.102 0.000 0.816 122 K CB 1.751 34.334 32.500 0.138 0.000 1.250 122 K HN 0.349 nan 8.250 nan 0.000 0.434 123 D N 1.827 122.355 120.400 0.214 0.000 2.481 123 D HA 0.443 5.085 4.640 0.002 0.000 0.246 123 D C -1.030 175.499 176.300 0.381 0.000 1.109 123 D CA -0.270 54.001 54.000 0.452 0.000 0.845 123 D CB 1.074 42.175 40.800 0.502 0.000 1.160 123 D HN 0.307 nan 8.370 nan 0.000 0.534 124 I N 3.854 124.646 120.570 0.369 0.000 2.498 124 I HA 0.617 4.789 4.170 0.002 0.000 0.290 124 I C -0.673 175.415 176.117 -0.048 0.000 1.032 124 I CA -0.966 60.331 61.300 -0.004 0.000 1.073 124 I CB 1.035 38.942 38.000 -0.156 0.000 1.251 124 I HN 0.318 nan 8.210 nan 0.000 0.426 125 F N 2.140 121.799 119.950 -0.485 0.000 3.194 125 F HA 0.672 5.201 4.527 0.002 0.000 0.327 125 F C -0.788 174.678 175.800 -0.557 0.000 1.141 125 F CA -0.893 56.671 58.000 -0.725 0.000 0.862 125 F CB 0.932 39.386 39.000 -0.910 0.000 1.447 125 F HN 0.400 nan 8.300 nan 0.000 0.479 126 T N -2.030 112.355 114.554 -0.282 0.000 2.927 126 T HA 0.436 4.787 4.350 0.002 0.000 0.286 126 T C -1.366 173.437 174.700 0.171 0.000 1.040 126 T CA -0.646 61.436 62.100 -0.029 0.000 1.010 126 T CB 1.781 70.769 68.868 0.199 0.000 1.177 126 T HN 0.784 nan 8.240 nan 0.000 0.546 127 D N 1.255 121.727 120.400 0.119 0.000 2.339 127 D HA 0.147 4.789 4.640 0.002 0.000 0.241 127 D C 1.720 178.116 176.300 0.161 0.000 1.183 127 D CA -0.614 53.476 54.000 0.149 0.000 0.859 127 D CB 1.246 42.092 40.800 0.076 0.000 1.067 127 D HN 0.505 nan 8.370 nan 0.000 0.484 128 V N 2.490 122.520 119.914 0.193 0.000 2.828 128 V HA -0.166 3.955 4.120 0.002 0.000 0.260 128 V C 1.534 177.657 176.094 0.048 0.000 1.101 128 V CA 1.289 63.657 62.300 0.114 0.000 1.123 128 V CB -0.525 31.348 31.823 0.083 0.000 0.704 128 V HN 0.396 nan 8.190 nan 0.000 0.493 129 K N -0.172 120.263 120.400 0.058 0.000 2.335 129 K HA 0.309 4.631 4.320 0.002 0.000 0.195 129 K C 0.711 177.339 176.600 0.046 0.000 1.058 129 K CA 0.128 56.439 56.287 0.039 0.000 0.988 129 K CB 0.438 32.960 32.500 0.036 0.000 0.880 129 K HN 0.513 nan 8.250 nan 0.000 0.513 130 R N 0.431 120.965 120.500 0.058 0.000 2.888 130 R HA 0.300 4.641 4.340 0.002 0.000 0.264 130 R C -0.719 175.630 176.300 0.082 0.000 1.045 130 R CA -0.933 55.206 56.100 0.065 0.000 0.962 130 R CB 0.683 31.016 30.300 0.054 0.000 1.210 130 R HN -0.118 nan 8.270 nan 0.000 0.479 131 N N 1.528 120.291 118.700 0.106 0.000 3.050 131 N HA 0.076 4.818 4.740 0.002 0.000 0.289 131 N C -1.065 174.550 175.510 0.175 0.000 1.209 131 N CA 0.084 53.220 53.050 0.143 0.000 1.154 131 N CB 0.487 39.089 38.487 0.192 0.000 1.444 131 N HN 0.561 nan 8.380 nan 0.000 0.529 132 S N -0.199 115.585 115.700 0.140 0.000 2.541 132 S HA 0.528 4.999 4.470 0.002 0.000 0.271 132 S C -0.916 173.726 174.600 0.070 0.000 1.133 132 S CA -1.014 57.259 58.200 0.121 0.000 0.876 132 S CB 2.102 65.317 63.200 0.024 0.000 1.105 132 S HN 0.172 nan 8.310 nan 0.000 0.470 133 L N 2.299 123.556 121.223 0.056 0.000 2.309 133 L HA 0.730 5.072 4.340 0.002 0.000 0.282 133 L C -1.278 175.471 176.870 -0.202 0.000 1.036 133 L CA -0.727 54.073 54.840 -0.067 0.000 0.806 133 L CB 0.732 42.809 42.059 0.030 0.000 1.220 133 L HN 0.812 nan 8.230 nan 0.000 0.429 134 I N 5.813 126.140 120.570 -0.406 0.000 2.433 134 I HA 0.500 4.672 4.170 0.002 0.000 0.292 134 I C -0.422 175.433 176.117 -0.436 0.000 1.001 134 I CA -0.390 60.640 61.300 -0.451 0.000 1.119 134 I CB 1.803 39.375 38.000 -0.715 0.000 1.289 134 I HN 0.642 nan 8.210 nan 0.000 0.438 135 M N 7.006 126.470 119.600 -0.228 0.000 2.090 135 M HA 0.376 4.857 4.480 0.002 0.000 0.277 135 M C -1.391 174.844 176.300 -0.108 0.000 0.935 135 M CA -0.602 54.620 55.300 -0.131 0.000 0.966 135 M CB 1.262 33.818 32.600 -0.073 0.000 1.635 135 M HN 0.538 nan 8.290 nan 0.000 0.446 136 K N 3.691 124.037 120.400 -0.090 0.000 2.201 136 K HA 0.790 5.111 4.320 0.002 0.000 0.278 136 K C -1.391 175.060 176.600 -0.247 0.000 1.027 136 K CA -0.139 55.999 56.287 -0.249 0.000 0.909 136 K CB 1.245 33.511 32.500 -0.391 0.000 1.062 136 K HN 0.760 nan 8.250 nan 0.000 0.465 137 A N 3.957 126.476 122.820 -0.502 0.000 2.475 137 A HA 0.559 4.880 4.320 0.002 0.000 0.301 137 A C -1.686 175.540 177.584 -0.596 0.000 1.059 137 A CA -0.976 50.759 52.037 -0.503 0.000 0.710 137 A CB 1.248 19.948 19.000 -0.500 0.000 1.288 137 A HN 0.805 nan 8.150 nan 0.000 0.408 138 K N 0.841 121.074 120.400 -0.278 0.000 2.482 138 K HA 0.678 4.999 4.320 0.002 0.000 0.251 138 K C -1.774 174.823 176.600 -0.006 0.000 0.936 138 K CA -0.449 55.773 56.287 -0.108 0.000 0.791 138 K CB 1.901 34.354 32.500 -0.078 0.000 1.213 138 K HN 0.509 nan 8.250 nan 0.000 0.428 139 F N 2.185 122.105 119.950 -0.049 0.000 2.421 139 F HA 0.389 4.917 4.527 0.002 0.000 0.337 139 F C -0.774 175.010 175.800 -0.027 0.000 1.105 139 F CA -0.182 57.785 58.000 -0.056 0.000 1.049 139 F CB 1.547 40.507 39.000 -0.065 0.000 1.139 139 F HN 0.656 nan 8.300 nan 0.000 0.479 140 E N 3.935 123.686 120.200 -0.749 0.000 2.248 140 E HA 0.597 4.948 4.350 0.002 0.000 0.267 140 E C -1.335 174.844 176.600 -0.701 0.000 0.877 140 E CA -1.309 54.807 56.400 -0.472 0.000 0.759 140 E CB 1.931 31.471 29.700 -0.267 0.000 1.182 140 E HN 0.685 nan 8.360 nan 0.000 0.418 141 A N 3.978 126.645 122.820 -0.254 0.000 2.366 141 A HA 0.262 4.583 4.320 0.002 0.000 0.322 141 A C 0.854 178.420 177.584 -0.030 0.000 1.397 141 A CA -0.346 51.636 52.037 -0.091 0.000 0.984 141 A CB -0.152 19.056 19.000 0.346 0.000 1.149 141 A HN 0.750 nan 8.150 nan 0.000 0.540 142 L N 1.182 122.344 121.223 -0.103 0.000 2.083 142 L HA -0.065 4.276 4.340 0.002 0.000 0.209 142 L C 1.238 178.127 176.870 0.031 0.000 1.083 142 L CA 1.398 56.203 54.840 -0.058 0.000 0.752 142 L CB -0.190 41.801 42.059 -0.112 0.000 0.899 142 L HN 0.898 nan 8.230 nan 0.000 0.433 143 E N -0.725 119.544 120.200 0.115 0.000 2.314 143 E HA 0.538 4.889 4.350 0.002 0.000 0.272 143 E C -0.076 176.690 176.600 0.277 0.000 0.884 143 E CA -0.261 56.235 56.400 0.159 0.000 0.753 143 E CB 2.320 32.098 29.700 0.129 0.000 1.213 143 E HN 0.077 nan 8.360 nan 0.000 0.432 144 G N 1.384 110.301 108.800 0.195 0.000 2.632 144 G HA2 -0.195 3.766 3.960 0.002 0.000 0.224 144 G HA3 -0.195 3.766 3.960 0.002 0.000 0.224 144 G C -0.515 174.512 174.900 0.212 0.000 1.341 144 G CA -0.219 44.987 45.100 0.178 0.000 0.880 144 G HN 0.842 nan 8.290 nan 0.000 0.566 145 S N -1.407 114.399 115.700 0.177 0.000 2.549 145 S HA 0.586 5.057 4.470 0.002 0.000 0.297 145 S C 1.622 176.425 174.600 0.338 0.000 1.115 145 S CA 0.235 58.574 58.200 0.231 0.000 1.059 145 S CB 1.339 64.646 63.200 0.178 0.000 1.046 145 S HN 1.365 nan 8.310 nan 0.000 0.506 146 I N 2.949 123.746 120.570 0.377 0.000 2.567 146 I HA -0.151 4.020 4.170 0.002 0.000 0.257 146 I C 1.152 177.385 176.117 0.194 0.000 1.184 146 I CA 1.565 63.108 61.300 0.404 0.000 1.451 146 I CB -0.104 38.041 38.000 0.242 0.000 1.089 146 I HN 0.810 nan 8.210 nan 0.000 0.441 147 H N 0.591 119.724 119.070 0.105 0.000 2.546 147 H HA -0.052 4.505 4.556 0.002 0.000 0.277 147 H C 1.137 176.435 175.328 -0.050 0.000 1.004 147 H CA 1.109 57.167 56.048 0.017 0.000 1.231 147 H CB -0.139 29.624 29.762 0.001 0.000 1.382 147 H HN 0.417 nan 8.280 nan 0.000 0.580 148 D N -0.514 119.875 120.400 -0.019 0.000 2.339 148 D HA -0.012 4.629 4.640 0.002 0.000 0.217 148 D C -0.437 175.594 176.300 -0.448 0.000 1.050 148 D CA 0.355 54.194 54.000 -0.269 0.000 0.856 148 D CB 0.242 40.797 40.800 -0.409 0.000 0.922 148 D HN 0.335 nan 8.370 nan 0.000 0.518 149 Y N 0.245 120.566 120.300 0.035 0.000 2.524 149 Y HA 0.479 5.031 4.550 0.002 0.000 0.344 149 Y C 0.186 175.950 175.900 -0.227 0.000 1.012 149 Y CA -1.065 57.013 58.100 -0.038 0.000 1.068 149 Y CB 1.489 39.991 38.460 0.070 0.000 1.249 149 Y HN -0.460 nan 8.280 nan 0.000 0.468 150 K N 1.837 122.197 120.400 -0.067 0.000 2.345 150 K HA 0.590 4.911 4.320 0.002 0.000 0.255 150 K C -1.799 174.539 176.600 -0.435 0.000 0.934 150 K CA -0.560 55.559 56.287 -0.280 0.000 0.801 150 K CB 1.920 34.360 32.500 -0.101 0.000 1.137 150 K HN 0.462 nan 8.250 nan 0.000 0.424 151 L N 3.846 124.660 121.223 -0.682 0.000 2.313 151 L HA 0.533 4.874 4.340 0.002 0.000 0.283 151 L C -1.745 174.802 176.870 -0.539 0.000 1.013 151 L CA -0.287 54.239 54.840 -0.524 0.000 0.816 151 L CB 0.568 42.292 42.059 -0.559 0.000 1.236 151 L HN 0.552 nan 8.230 nan 0.000 0.419 152 Y N 4.804 125.161 120.300 0.096 0.000 2.425 152 Y HA 0.609 5.160 4.550 0.002 0.000 0.344 152 Y C -0.662 175.396 175.900 0.265 0.000 0.969 152 Y CA -0.898 57.285 58.100 0.139 0.000 1.052 152 Y CB 1.941 40.434 38.460 0.055 0.000 1.215 152 Y HN 0.487 nan 8.280 nan 0.000 0.451 153 L N 2.923 124.333 121.223 0.312 0.000 2.309 153 L HA 0.890 5.231 4.340 0.002 0.000 0.282 153 L C -0.623 176.259 176.870 0.021 0.000 1.036 153 L CA -0.586 54.308 54.840 0.090 0.000 0.806 153 L CB 1.203 43.302 42.059 0.068 0.000 1.220 153 L HN 0.726 nan 8.230 nan 0.000 0.429 154 A N 4.618 127.423 122.820 -0.024 0.000 2.363 154 A HA 0.438 4.760 4.320 0.002 0.000 0.296 154 A C -1.727 175.866 177.584 0.014 0.000 1.237 154 A CA -0.423 51.614 52.037 0.001 0.000 0.773 154 A CB 0.206 19.221 19.000 0.024 0.000 1.153 154 A HN 0.624 nan 8.150 nan 0.000 0.473 155 Y N 2.499 122.719 120.300 -0.134 0.000 2.341 155 Y HA 0.514 5.065 4.550 0.002 0.000 0.340 155 Y C -0.644 175.182 175.900 -0.123 0.000 0.997 155 Y CA -1.024 56.993 58.100 -0.137 0.000 1.149 155 Y CB 1.207 39.570 38.460 -0.163 0.000 1.171 155 Y HN 0.583 nan 8.280 nan 0.000 0.494 156 D N 9.473 129.591 120.400 -0.469 0.000 2.472 156 D HA 0.289 4.930 4.640 0.002 0.000 0.234 156 D C -3.015 172.848 176.300 -0.727 0.000 1.088 156 D CA -2.193 51.490 54.000 -0.528 0.000 0.882 156 D CB 1.398 41.969 40.800 -0.381 0.000 1.037 156 D HN 0.313 nan 8.370 nan 0.000 0.520 157 P HA 0.205 nan 4.420 nan 0.000 0.284 157 P C -0.573 176.704 177.300 -0.039 0.000 1.253 157 P CA -0.219 62.547 63.100 -0.556 0.000 0.800 157 P CB 1.017 32.377 31.700 -0.567 0.000 0.961 158 H N 2.097 121.049 119.070 -0.197 0.000 2.712 158 H HA 0.300 4.857 4.556 0.002 0.000 0.226 158 H C 0.195 175.553 175.328 0.049 0.000 1.422 158 H CA -0.575 55.375 56.048 -0.162 0.000 1.270 158 H CB 0.266 29.794 29.762 -0.392 0.000 1.891 158 H HN 0.287 nan 8.280 nan 0.000 0.518 159 I N 2.197 122.854 120.570 0.144 0.000 2.752 159 I HA -0.156 4.015 4.170 0.002 0.000 0.289 159 I C 0.534 176.759 176.117 0.179 0.000 1.197 159 I CA 0.665 62.069 61.300 0.174 0.000 1.432 159 I CB 0.257 38.322 38.000 0.108 0.000 1.359 159 I HN 0.448 nan 8.210 nan 0.000 0.571 160 K N 5.658 126.183 120.400 0.209 0.000 3.244 160 K HA -0.214 4.107 4.320 0.002 0.000 0.270 160 K C -0.087 176.646 176.600 0.222 0.000 1.016 160 K CA 0.306 56.701 56.287 0.180 0.000 0.754 160 K CB -1.279 31.296 32.500 0.126 0.000 1.326 160 K HN 0.832 nan 8.250 nan 0.000 0.465 161 N N -0.218 118.678 118.700 0.328 0.000 2.725 161 N HA -0.216 4.526 4.740 0.002 0.000 0.249 161 N C -0.398 175.449 175.510 0.561 0.000 1.103 161 N CA 2.097 55.443 53.050 0.493 0.000 0.707 161 N CB -0.765 37.942 38.487 0.366 0.000 1.043 161 N HN 0.883 nan 8.380 nan 0.000 0.553 162 Q N -2.971 117.036 119.800 0.346 0.000 2.378 162 Q HA 0.574 4.916 4.340 0.002 0.000 0.262 162 Q C 0.558 176.413 176.000 -0.242 0.000 0.978 162 Q CA -0.386 55.463 55.803 0.077 0.000 0.918 162 Q CB 0.846 29.638 28.738 0.090 0.000 1.415 162 Q HN -0.079 nan 8.270 nan 0.000 0.409 163 G N 1.614 109.984 108.800 -0.717 0.000 2.494 163 G HA2 -0.024 3.938 3.960 0.002 0.000 0.216 163 G HA3 -0.024 3.938 3.960 0.002 0.000 0.216 163 G C 0.578 175.219 174.900 -0.432 0.000 1.140 163 G CA 0.561 45.007 45.100 -1.090 0.000 0.801 163 G HN 0.794 nan 8.290 nan 0.000 0.536 164 S N -1.484 114.071 115.700 -0.242 0.000 2.593 164 S HA 0.227 4.699 4.470 0.002 0.000 0.269 164 S C 0.380 175.025 174.600 0.076 0.000 1.334 164 S CA -0.330 57.837 58.200 -0.056 0.000 1.015 164 S CB 0.605 63.799 63.200 -0.009 0.000 0.912 164 S HN 0.822 nan 8.310 nan 0.000 0.541 165 Y N 0.639 120.914 120.300 -0.042 0.000 3.305 165 Y HA -0.247 4.304 4.550 0.002 0.000 0.212 165 Y C -0.273 175.616 175.900 -0.019 0.000 1.248 165 Y CA 0.591 58.682 58.100 -0.015 0.000 1.359 165 Y CB -1.932 36.520 38.460 -0.014 0.000 1.407 165 Y HN 0.824 nan 8.280 nan 0.000 0.572 166 N N 1.764 120.416 118.700 -0.080 0.000 2.455 166 N HA 0.174 4.916 4.740 0.002 0.000 0.280 166 N C -0.346 175.066 175.510 -0.164 0.000 1.055 166 N CA -0.516 52.469 53.050 -0.107 0.000 0.961 166 N CB 0.918 39.345 38.487 -0.100 0.000 1.121 166 N HN 0.406 nan 8.380 nan 0.000 0.476 167 E N 1.028 121.140 120.200 -0.147 0.000 2.174 167 E HA 0.394 4.746 4.350 0.002 0.000 0.282 167 E C -0.696 175.893 176.600 -0.019 0.000 0.992 167 E CA -0.777 55.566 56.400 -0.095 0.000 0.803 167 E CB 0.948 30.615 29.700 -0.055 0.000 1.090 167 E HN 0.638 nan 8.360 nan 0.000 0.396 168 G N 3.586 112.376 108.800 -0.016 0.000 2.495 168 G HA2 0.582 4.543 3.960 0.002 0.000 0.318 168 G HA3 0.582 4.543 3.960 0.002 0.000 0.318 168 G C -1.573 173.360 174.900 0.056 0.000 1.257 168 G CA -0.507 44.548 45.100 -0.075 0.000 0.962 168 G HN 0.557 nan 8.290 nan 0.000 0.483 169 Y N -1.201 119.015 120.300 -0.140 0.000 2.750 169 Y HA 0.735 5.286 4.550 0.002 0.000 0.335 169 Y C -1.237 174.501 175.900 -0.270 0.000 1.252 169 Y CA -1.611 56.375 58.100 -0.189 0.000 1.064 169 Y CB 1.114 39.467 38.460 -0.179 0.000 1.321 169 Y HN 0.478 nan 8.280 nan 0.000 0.451 170 V N 3.033 122.784 119.914 -0.271 0.000 2.680 170 V HA 0.686 4.808 4.120 0.002 0.000 0.309 170 V C -0.015 175.706 176.094 -0.623 0.000 1.052 170 V CA -0.605 61.384 62.300 -0.519 0.000 0.908 170 V CB 1.411 32.804 31.823 -0.717 0.000 1.001 170 V HN 0.868 nan 8.190 nan 0.000 0.431 171 I N 0.721 121.106 120.570 -0.308 0.000 3.516 171 I HA 0.792 4.964 4.170 0.002 0.000 0.302 171 I C -0.867 175.303 176.117 0.089 0.000 1.143 171 I CA -1.223 60.007 61.300 -0.117 0.000 1.003 171 I CB 2.499 40.499 38.000 0.000 0.000 1.347 171 I HN 0.508 nan 8.210 nan 0.000 0.486 172 K N 1.472 121.961 120.400 0.149 0.000 2.637 172 K HA 0.712 5.033 4.320 0.002 0.000 0.248 172 K C -1.556 175.096 176.600 0.088 0.000 0.971 172 K CA -0.478 55.899 56.287 0.150 0.000 0.858 172 K CB 1.919 34.545 32.500 0.209 0.000 1.170 172 K HN 0.839 nan 8.250 nan 0.000 0.443 173 A N 3.918 126.771 122.820 0.055 0.000 2.253 173 A HA 0.399 4.721 4.320 0.002 0.000 0.316 173 A C -0.460 177.140 177.584 0.026 0.000 1.327 173 A CA -0.371 51.686 52.037 0.033 0.000 0.917 173 A CB 0.082 19.091 19.000 0.015 0.000 1.162 173 A HN 0.913 nan 8.150 nan 0.000 0.535 174 N N 2.555 121.270 118.700 0.026 0.000 2.714 174 N HA -0.170 4.572 4.740 0.002 0.000 0.253 174 N C -0.168 175.353 175.510 0.018 0.000 1.024 174 N CA 1.310 54.371 53.050 0.018 0.000 0.726 174 N CB -1.338 37.154 38.487 0.009 0.000 0.908 174 N HN 0.796 nan 8.380 nan 0.000 0.542 175 N N -1.462 117.256 118.700 0.030 0.000 2.735 175 N HA -0.233 4.508 4.740 0.002 0.000 0.248 175 N C -0.927 174.599 175.510 0.027 0.000 1.083 175 N CA 0.790 53.858 53.050 0.030 0.000 0.703 175 N CB -0.916 37.580 38.487 0.014 0.000 1.005 175 N HN 0.633 nan 8.380 nan 0.000 0.550 176 N N 1.071 119.794 118.700 0.038 0.000 2.540 176 N HA 0.116 4.858 4.740 0.002 0.000 0.275 176 N C -0.966 174.587 175.510 0.072 0.000 1.053 176 N CA -0.178 52.888 53.050 0.027 0.000 0.876 176 N CB 0.927 39.414 38.487 0.000 0.000 1.284 176 N HN 0.096 nan 8.380 nan 0.000 0.518 177 E N 3.203 123.473 120.200 0.116 0.000 2.292 177 E HA 0.100 4.452 4.350 0.002 0.000 0.265 177 E C -0.190 176.559 176.600 0.249 0.000 1.093 177 E CA 0.486 57.007 56.400 0.201 0.000 0.922 177 E CB 0.794 30.690 29.700 0.326 0.000 1.001 177 E HN 0.437 nan 8.360 nan 0.000 0.444 178 M N 3.381 123.056 119.600 0.125 0.000 2.393 178 M HA 0.275 4.756 4.480 0.002 0.000 0.316 178 M C -1.055 175.195 176.300 -0.084 0.000 1.087 178 M CA -1.190 54.169 55.300 0.098 0.000 0.937 178 M CB 1.421 34.028 32.600 0.012 0.000 1.668 178 M HN 0.185 nan 8.290 nan 0.000 0.438 179 L N 4.379 125.519 121.223 -0.137 0.000 2.278 179 L HA 0.389 4.730 4.340 0.002 0.000 0.287 179 L C -0.253 176.430 176.870 -0.311 0.000 1.072 179 L CA 0.355 55.017 54.840 -0.297 0.000 0.819 179 L CB 0.379 42.227 42.059 -0.352 0.000 1.176 179 L HN 0.597 nan 8.230 nan 0.000 0.435 180 M N 3.041 122.366 119.600 -0.458 0.000 2.409 180 M HA 0.763 5.244 4.480 0.002 0.000 0.329 180 M C -0.097 175.857 176.300 -0.577 0.000 1.180 180 M CA -0.594 54.354 55.300 -0.587 0.000 1.053 180 M CB 1.571 33.578 32.600 -0.988 0.000 1.586 180 M HN 0.597 nan 8.290 nan 0.000 0.461 181 A N 2.736 125.348 122.820 -0.346 0.000 2.455 181 A HA 0.828 5.149 4.320 0.002 0.000 0.300 181 A C -0.975 176.519 177.584 -0.149 0.000 1.040 181 A CA -0.779 51.143 52.037 -0.191 0.000 0.697 181 A CB 1.654 20.652 19.000 -0.004 0.000 1.265 181 A HN 0.828 nan 8.150 nan 0.000 0.407 182 K N 0.818 121.135 120.400 -0.138 0.000 2.536 182 K HA 0.881 5.202 4.320 0.002 0.000 0.269 182 K C -0.956 175.528 176.600 -0.193 0.000 0.965 182 K CA -0.752 55.367 56.287 -0.281 0.000 0.860 182 K CB 1.866 34.066 32.500 -0.500 0.000 1.423 182 K HN 0.595 nan 8.250 nan 0.000 0.438 183 R N 1.744 122.112 120.500 -0.220 0.000 2.678 183 R HA 0.146 4.488 4.340 0.002 0.000 0.267 183 R C -1.085 175.178 176.300 -0.060 0.000 1.173 183 R CA -0.138 55.919 56.100 -0.072 0.000 1.061 183 R CB 0.814 31.117 30.300 0.006 0.000 1.262 183 R HN 1.006 nan 8.270 nan 0.000 0.427 184 D N 1.565 121.958 120.400 -0.011 0.000 3.685 184 D HA -0.306 4.335 4.640 0.002 0.000 0.152 184 D C 0.336 176.651 176.300 0.026 0.000 0.966 184 D CA 2.306 56.323 54.000 0.028 0.000 1.085 184 D CB -0.557 40.272 40.800 0.049 0.000 0.521 184 D HN 0.812 nan 8.370 nan 0.000 0.543 185 N N 0.357 119.111 118.700 0.090 0.000 2.276 185 N HA 0.273 5.015 4.740 0.002 0.000 0.212 185 N C -0.321 175.352 175.510 0.272 0.000 1.127 185 N CA -0.060 53.111 53.050 0.202 0.000 0.834 185 N CB 0.598 39.192 38.487 0.178 0.000 1.014 185 N HN 0.117 nan 8.380 nan 0.000 0.491 186 V N 1.204 121.196 119.914 0.130 0.000 2.409 186 V HA 0.373 4.494 4.120 0.002 0.000 0.291 186 V C -1.141 174.976 176.094 0.038 0.000 1.020 186 V CA -0.791 61.666 62.300 0.262 0.000 0.848 186 V CB 0.410 32.423 31.823 0.316 0.000 0.990 186 V HN 0.119 nan 8.190 nan 0.000 0.430 187 Y N 2.219 122.626 120.300 0.178 0.000 2.393 187 Y HA 0.674 5.226 4.550 0.003 0.000 0.341 187 Y C 0.626 176.478 175.900 -0.080 0.000 0.988 187 Y CA -0.754 57.379 58.100 0.055 0.000 1.078 187 Y CB 2.439 40.926 38.460 0.046 0.000 1.203 187 Y HN 0.677 nan 8.280 nan 0.000 0.453 188 T N -0.329 114.190 114.554 -0.059 0.000 2.887 188 T HA 0.904 5.255 4.350 0.002 0.000 0.288 188 T C -0.873 173.650 174.700 -0.295 0.000 1.021 188 T CA -0.945 60.938 62.100 -0.360 0.000 1.000 188 T CB 1.753 70.366 68.868 -0.425 0.000 1.034 188 T HN 0.815 nan 8.240 nan 0.000 0.467 189 A N 3.336 125.935 122.820 -0.367 0.000 2.335 189 A HA 0.721 5.043 4.320 0.002 0.000 0.304 189 A C -0.754 176.654 177.584 -0.294 0.000 1.118 189 A CA -0.859 51.018 52.037 -0.267 0.000 0.757 189 A CB 0.991 19.888 19.000 -0.172 0.000 1.188 189 A HN 1.005 nan 8.150 nan 0.000 0.460 190 L N 3.353 124.422 121.223 -0.257 0.000 2.272 190 L HA 0.672 5.013 4.340 0.002 0.000 0.289 190 L C 0.081 177.044 176.870 0.154 0.000 1.032 190 L CA -0.103 54.630 54.840 -0.179 0.000 0.810 190 L CB 1.447 43.297 42.059 -0.348 0.000 1.205 190 L HN 0.918 nan 8.230 nan 0.000 0.422 191 S N 2.201 118.025 115.700 0.207 0.000 2.627 191 S HA 0.657 5.128 4.470 0.002 0.000 0.283 191 S C -0.860 173.694 174.600 -0.076 0.000 1.127 191 S CA -0.715 57.596 58.200 0.186 0.000 0.863 191 S CB 2.055 65.262 63.200 0.011 0.000 1.121 191 S HN 0.508 nan 8.310 nan 0.000 0.479 192 S N 0.454 115.827 115.700 -0.546 0.000 2.526 192 S HA 0.379 4.850 4.470 0.002 0.000 0.293 192 S C 0.968 175.338 174.600 -0.382 0.000 1.092 192 S CA -0.629 57.172 58.200 -0.665 0.000 0.980 192 S CB 1.000 63.332 63.200 -1.446 0.000 1.048 192 S HN 0.855 nan 8.310 nan 0.000 0.483 193 N N 4.138 122.715 118.700 -0.204 0.000 2.381 193 N HA -0.098 4.643 4.740 0.002 0.000 0.182 193 N C 1.238 176.660 175.510 -0.147 0.000 1.025 193 N CA 1.514 54.486 53.050 -0.130 0.000 0.888 193 N CB -0.516 37.932 38.487 -0.064 0.000 0.965 193 N HN 0.819 nan 8.380 nan 0.000 0.438 194 I N -4.618 115.833 120.570 -0.197 0.000 3.927 194 I HA 0.500 4.671 4.170 0.002 0.000 0.332 194 I C 0.719 176.671 176.117 -0.276 0.000 1.485 194 I CA -0.341 60.847 61.300 -0.187 0.000 1.131 194 I CB 0.236 38.150 38.000 -0.143 0.000 1.092 194 I HN 0.101 nan 8.210 nan 0.000 0.410 195 G N 1.620 110.164 108.800 -0.428 0.000 2.804 195 G HA2 -0.280 3.681 3.960 0.002 0.000 0.230 195 G HA3 -0.280 3.681 3.960 0.002 0.000 0.230 195 G C -1.078 173.447 174.900 -0.625 0.000 1.386 195 G CA -0.175 44.606 45.100 -0.531 0.000 0.875 195 G HN 0.518 nan 8.290 nan 0.000 0.557 196 W N -0.328 120.982 121.300 0.016 0.000 2.529 196 W HA 0.695 5.356 4.660 0.002 0.000 0.321 196 W C 1.145 177.667 176.519 0.005 0.000 1.047 196 W CA -0.836 56.521 57.345 0.020 0.000 1.216 196 W CB 1.927 31.463 29.460 0.127 0.000 1.357 196 W HN 0.739 nan 8.180 nan 0.000 0.489 197 K N 1.620 122.124 120.400 0.173 0.000 2.365 197 K HA 0.208 4.529 4.320 0.002 0.000 0.199 197 K C 0.486 177.138 176.600 0.086 0.000 1.045 197 K CA 0.910 57.233 56.287 0.059 0.000 0.962 197 K CB -0.076 32.407 32.500 -0.029 0.000 0.759 197 K HN 0.692 nan 8.250 nan 0.000 0.469 198 G N -0.140 108.770 108.800 0.184 0.000 2.473 198 G HA2 0.337 4.299 3.960 0.002 0.000 0.298 198 G HA3 0.337 4.299 3.960 0.002 0.000 0.298 198 G C -1.985 173.029 174.900 0.191 0.000 1.575 198 G CA -0.834 44.342 45.100 0.127 0.000 0.846 198 G HN 0.165 nan 8.290 nan 0.000 0.585 199 Y N -1.194 119.222 120.300 0.193 0.000 2.609 199 Y HA 0.907 5.459 4.550 0.003 0.000 0.342 199 Y C -0.215 175.718 175.900 0.054 0.000 1.058 199 Y CA -1.721 56.387 58.100 0.014 0.000 1.055 199 Y CB 1.998 40.405 38.460 -0.090 0.000 1.292 199 Y HN 1.111 nan 8.280 nan 0.000 0.476 200 S N 0.957 116.793 115.700 0.227 0.000 2.578 200 S HA 0.620 5.091 4.470 0.002 0.000 0.285 200 S C -2.078 172.572 174.600 0.084 0.000 1.126 200 S CA -0.700 57.583 58.200 0.138 0.000 0.878 200 S CB 0.556 63.704 63.200 -0.086 0.000 1.091 200 S HN 0.726 nan 8.310 nan 0.000 0.450 201 I N 4.055 124.694 120.570 0.116 0.000 2.428 201 I HA 0.504 4.676 4.170 0.002 0.000 0.279 201 I C 0.803 176.892 176.117 -0.047 0.000 1.040 201 I CA -0.433 60.864 61.300 -0.004 0.000 1.171 201 I CB 1.183 39.154 38.000 -0.049 0.000 1.312 201 I HN 0.653 nan 8.210 nan 0.000 0.470 202 G N 3.853 112.621 108.800 -0.053 0.000 2.601 202 G HA2 0.548 4.509 3.960 0.002 0.000 0.317 202 G HA3 0.548 4.509 3.960 0.002 0.000 0.317 202 G C -1.361 173.367 174.900 -0.287 0.000 1.246 202 G CA -0.412 44.612 45.100 -0.127 0.000 1.012 202 G HN 0.237 nan 8.290 nan 0.000 0.494 203 Y N -0.754 119.543 120.300 -0.005 0.000 2.304 203 Y HA 0.267 4.819 4.550 0.002 0.000 0.328 203 Y C 0.210 176.150 175.900 0.066 0.000 1.123 203 Y CA -0.568 57.538 58.100 0.009 0.000 1.218 203 Y CB 0.980 39.419 38.460 -0.034 0.000 1.207 203 Y HN 0.460 nan 8.280 nan 0.000 0.495 204 Y N 4.647 125.014 120.300 0.113 0.000 2.802 204 Y HA -0.067 4.485 4.550 0.002 0.000 0.333 204 Y C 0.850 176.780 175.900 0.051 0.000 1.244 204 Y CA -0.037 58.093 58.100 0.050 0.000 1.558 204 Y CB -0.105 38.373 38.460 0.030 0.000 1.233 204 Y HN 0.794 nan 8.280 nan 0.000 0.547 205 K N 2.065 122.223 120.400 -0.403 0.000 3.274 205 K HA -0.229 4.092 4.320 0.002 0.000 0.300 205 K C 0.320 176.829 176.600 -0.153 0.000 1.230 205 K CA 0.772 56.822 56.287 -0.394 0.000 0.884 205 K CB -1.839 30.290 32.500 -0.619 0.000 1.242 205 K HN 0.499 nan 8.250 nan 0.000 0.467 206 V N -0.238 119.651 119.914 -0.042 0.000 3.134 206 V HA -0.007 4.115 4.120 0.002 0.000 0.222 206 V C 0.645 176.767 176.094 0.046 0.000 1.247 206 V CA 1.335 63.643 62.300 0.013 0.000 1.281 206 V CB 0.342 32.205 31.823 0.067 0.000 1.169 206 V HN 0.506 nan 8.190 nan 0.000 0.512 207 N N 0.434 119.191 118.700 0.095 0.000 2.475 207 N HA 0.104 4.845 4.740 0.002 0.000 0.272 207 N C -0.704 174.882 175.510 0.127 0.000 1.482 207 N CA -0.354 52.775 53.050 0.132 0.000 0.863 207 N CB -0.246 38.389 38.487 0.247 0.000 1.400 207 N HN 0.508 nan 8.380 nan 0.000 0.489 208 D N -0.363 120.076 120.400 0.066 0.000 2.411 208 D HA 0.072 4.714 4.640 0.002 0.000 0.251 208 D C 1.410 177.704 176.300 -0.009 0.000 1.201 208 D CA -0.778 53.248 54.000 0.042 0.000 0.996 208 D CB 0.887 41.728 40.800 0.069 0.000 1.101 208 D HN -0.059 nan 8.370 nan 0.000 0.504 209 I N -0.074 120.477 120.570 -0.032 0.000 2.185 209 I HA -0.292 3.879 4.170 0.002 0.000 0.246 209 I C 2.151 178.204 176.117 -0.107 0.000 1.088 209 I CA 1.687 62.931 61.300 -0.093 0.000 1.347 209 I CB -0.498 37.461 38.000 -0.068 0.000 1.041 209 I HN 0.531 nan 8.210 nan 0.000 0.415 210 M N -0.065 119.509 119.600 -0.042 0.000 2.065 210 M HA -0.211 4.270 4.480 0.002 0.000 0.259 210 M C 2.205 178.473 176.300 -0.053 0.000 1.069 210 M CA 2.620 57.901 55.300 -0.033 0.000 1.110 210 M CB -0.957 31.654 32.600 0.018 0.000 1.328 210 M HN 0.310 nan 8.290 nan 0.000 0.405 211 T N -0.108 114.417 114.554 -0.048 0.000 2.777 211 T HA -0.154 4.198 4.350 0.002 0.000 0.266 211 T C 1.552 176.214 174.700 -0.063 0.000 1.040 211 T CA 1.592 63.663 62.100 -0.050 0.000 1.141 211 T CB -0.596 68.248 68.868 -0.040 0.000 0.868 211 T HN 0.474 nan 8.240 nan 0.000 0.444 212 D N 1.246 121.598 120.400 -0.081 0.000 2.123 212 D HA -0.070 4.571 4.640 0.002 0.000 0.196 212 D C 1.988 178.200 176.300 -0.147 0.000 0.992 212 D CA 0.974 54.905 54.000 -0.114 0.000 0.833 212 D CB -0.353 40.354 40.800 -0.156 0.000 0.954 212 D HN 0.318 nan 8.370 nan 0.000 0.455 213 L N 0.101 121.212 121.223 -0.188 0.000 2.156 213 L HA -0.104 4.238 4.340 0.002 0.000 0.208 213 L C 1.782 178.584 176.870 -0.113 0.000 1.095 213 L CA 0.883 55.596 54.840 -0.212 0.000 0.770 213 L CB -0.253 41.632 42.059 -0.289 0.000 0.914 213 L HN -0.049 nan 8.230 nan 0.000 0.439 214 D N -0.369 119.986 120.400 -0.075 0.000 2.277 214 D HA -0.165 4.477 4.640 0.002 0.000 0.208 214 D C 1.955 178.233 176.300 -0.037 0.000 0.962 214 D CA 0.863 54.840 54.000 -0.037 0.000 0.865 214 D CB 0.248 41.034 40.800 -0.023 0.000 0.939 214 D HN 0.390 nan 8.370 nan 0.000 0.510 215 E N -0.379 119.791 120.200 -0.050 0.000 2.364 215 E HA 0.033 4.384 4.350 0.002 0.000 0.196 215 E C 0.857 177.428 176.600 -0.048 0.000 0.990 215 E CA 0.282 56.657 56.400 -0.042 0.000 0.886 215 E CB 0.404 30.082 29.700 -0.038 0.000 0.866 215 E HN 0.048 nan 8.360 nan 0.000 0.493 216 N N -0.083 118.576 118.700 -0.068 0.000 2.168 216 N HA 0.034 4.775 4.740 0.002 0.000 0.216 216 N C -0.385 175.079 175.510 -0.076 0.000 1.259 216 N CA 0.055 53.064 53.050 -0.069 0.000 0.902 216 N CB 1.047 39.487 38.487 -0.079 0.000 1.079 216 N HN -0.068 nan 8.380 nan 0.000 0.507 217 K N 1.166 121.511 120.400 -0.091 0.000 3.209 217 K HA -0.197 4.124 4.320 0.002 0.000 0.289 217 K C -0.212 176.330 176.600 -0.098 0.000 1.191 217 K CA 0.916 57.147 56.287 -0.094 0.000 0.851 217 K CB -1.996 30.454 32.500 -0.082 0.000 1.242 217 K HN 0.760 nan 8.250 nan 0.000 0.480 218 Q N -2.313 117.403 119.800 -0.141 0.000 2.736 218 Q HA 0.382 4.723 4.340 0.002 0.000 0.273 218 Q C -0.815 175.077 176.000 -0.179 0.000 0.948 218 Q CA -0.944 54.794 55.803 -0.109 0.000 0.854 218 Q CB 0.623 29.362 28.738 0.001 0.000 1.569 218 Q HN 0.057 nan 8.270 nan 0.000 0.405 219 M N 2.057 121.560 119.600 -0.161 0.000 2.327 219 M HA 0.037 4.519 4.480 0.002 0.000 0.353 219 M C -0.143 176.047 176.300 -0.183 0.000 1.539 219 M CA 0.999 56.177 55.300 -0.203 0.000 1.039 219 M CB 0.500 33.049 32.600 -0.085 0.000 1.967 219 M HN 0.925 nan 8.290 nan 0.000 0.459 220 T N 1.882 116.283 114.554 -0.256 0.000 3.085 220 T HA 0.124 4.475 4.350 0.002 0.000 0.241 220 T C 0.177 174.692 174.700 -0.309 0.000 0.988 220 T CA 0.343 62.326 62.100 -0.194 0.000 1.117 220 T CB 0.431 69.219 68.868 -0.134 0.000 0.978 220 T HN 0.403 nan 8.240 nan 0.000 0.454 221 K N 1.825 121.957 120.400 -0.446 0.000 2.154 221 K HA 0.362 4.684 4.320 0.002 0.000 0.264 221 K C -0.186 175.907 176.600 -0.845 0.000 1.008 221 K CA -0.147 55.752 56.287 -0.647 0.000 0.937 221 K CB 0.362 32.398 32.500 -0.773 0.000 1.002 221 K HN 0.230 nan 8.250 nan 0.000 0.469 222 H N 2.068 120.822 119.070 -0.528 0.000 2.901 222 H HA 0.114 4.671 4.556 0.002 0.000 0.227 222 H C -0.804 174.436 175.328 -0.147 0.000 1.390 222 H CA -0.477 55.391 56.048 -0.300 0.000 1.120 222 H CB -0.103 29.496 29.762 -0.272 0.000 2.131 222 H HN 0.488 nan 8.280 nan 0.000 0.549 223 Y N 1.789 122.143 120.300 0.091 0.000 2.578 223 Y HA 0.013 4.564 4.550 0.002 0.000 0.339 223 Y C 1.453 177.459 175.900 0.177 0.000 1.231 223 Y CA -0.062 58.097 58.100 0.098 0.000 1.461 223 Y CB 0.644 39.107 38.460 0.005 0.000 1.323 223 Y HN 0.333 nan 8.280 nan 0.000 0.590 224 D N -1.385 119.223 120.400 0.347 0.000 2.571 224 D HA 0.213 4.854 4.640 0.002 0.000 0.239 224 D C -0.408 175.959 176.300 0.112 0.000 1.267 224 D CA -0.288 53.871 54.000 0.266 0.000 0.823 224 D CB 0.351 41.391 40.800 0.400 0.000 1.056 224 D HN 0.254 nan 8.370 nan 0.000 0.494 225 S N -0.955 114.800 115.700 0.092 0.000 2.560 225 S HA 0.701 5.173 4.470 0.002 0.000 0.283 225 S C -1.978 172.579 174.600 -0.072 0.000 1.141 225 S CA -0.026 58.191 58.200 0.027 0.000 0.902 225 S CB 0.925 64.147 63.200 0.037 0.000 1.104 225 S HN 0.759 nan 8.310 nan 0.000 0.454 226 A N 2.977 125.730 122.820 -0.112 0.000 2.567 226 A HA 0.869 5.190 4.320 0.002 0.000 0.291 226 A C -1.230 176.281 177.584 -0.121 0.000 1.048 226 A CA -0.761 51.131 52.037 -0.242 0.000 0.661 226 A CB 1.507 20.097 19.000 -0.685 0.000 1.288 226 A HN 0.938 nan 8.150 nan 0.000 0.424 227 R N 0.275 120.795 120.500 0.035 0.000 2.510 227 R HA 0.589 4.930 4.340 0.002 0.000 0.287 227 R C 0.147 176.516 176.300 0.114 0.000 1.084 227 R CA 0.677 56.746 56.100 -0.050 0.000 0.934 227 R CB 1.538 31.696 30.300 -0.237 0.000 1.201 227 R HN 2.601 nan 8.270 nan 0.000 0.431 228 G N 2.513 111.328 108.800 0.026 0.000 2.240 228 G HA2 -0.150 3.811 3.960 0.002 0.000 0.199 228 G HA3 -0.150 3.811 3.960 0.002 0.000 0.199 228 G C -1.416 173.533 174.900 0.082 0.000 1.342 228 G CA -0.947 44.221 45.100 0.114 0.000 1.145 228 G HN 0.531 nan 8.290 nan 0.000 0.477 229 N N 1.593 120.365 118.700 0.120 0.000 2.448 229 N HA 0.515 5.257 4.740 0.002 0.000 0.250 229 N C 0.392 175.977 175.510 0.124 0.000 1.136 229 N CA 0.129 53.211 53.050 0.053 0.000 0.953 229 N CB 0.282 38.816 38.487 0.079 0.000 1.251 229 N HN 0.689 nan 8.380 nan 0.000 0.502 230 I N -1.353 119.211 120.570 -0.010 0.000 2.910 230 I HA 0.649 4.821 4.170 0.002 0.000 0.310 230 I C -0.700 175.353 176.117 -0.105 0.000 1.043 230 I CA -1.023 60.234 61.300 -0.071 0.000 1.053 230 I CB 1.844 39.741 38.000 -0.171 0.000 1.242 230 I HN 0.140 nan 8.210 nan 0.000 0.452 231 I N 2.354 122.871 120.570 -0.089 0.000 2.512 231 I HA 0.279 4.451 4.170 0.002 0.000 0.287 231 I C -0.788 175.282 176.117 -0.080 0.000 1.069 231 I CA -0.417 60.829 61.300 -0.089 0.000 1.056 231 I CB 2.134 40.138 38.000 0.007 0.000 1.229 231 I HN 0.665 nan 8.210 nan 0.000 0.429 232 E N 5.411 125.564 120.200 -0.078 0.000 2.001 232 E HA 0.366 4.717 4.350 0.002 0.000 0.279 232 E C 0.171 176.733 176.600 -0.064 0.000 1.045 232 E CA -0.343 56.027 56.400 -0.049 0.000 0.833 232 E CB 1.477 31.192 29.700 0.025 0.000 1.077 232 E HN 0.734 nan 8.360 nan 0.000 0.397 233 G N 1.787 110.545 108.800 -0.071 0.000 2.410 233 G HA2 0.670 4.631 3.960 0.002 0.000 0.330 233 G HA3 0.670 4.631 3.960 0.002 0.000 0.330 233 G C -0.945 173.888 174.900 -0.113 0.000 1.142 233 G CA -0.454 44.607 45.100 -0.065 0.000 0.902 233 G HN 0.512 nan 8.290 nan 0.000 0.491 234 A N 0.848 123.622 122.820 -0.078 0.000 2.555 234 A HA 0.630 4.952 4.320 0.002 0.000 0.297 234 A C -0.688 176.982 177.584 0.143 0.000 1.060 234 A CA -0.630 51.359 52.037 -0.079 0.000 0.710 234 A CB 1.497 20.104 19.000 -0.656 0.000 1.282 234 A HN 0.771 nan 8.150 nan 0.000 0.399 235 E N 2.347 122.657 120.200 0.184 0.000 2.283 235 E HA 0.480 4.831 4.350 0.002 0.000 0.278 235 E C -0.672 175.922 176.600 -0.009 0.000 1.027 235 E CA -0.603 55.788 56.400 -0.015 0.000 0.843 235 E CB 0.566 30.214 29.700 -0.086 0.000 1.062 235 E HN 0.487 nan 8.360 nan 0.000 0.401 236 I N 3.890 124.338 120.570 -0.203 0.000 2.331 236 I HA 0.082 4.253 4.170 0.002 0.000 0.292 236 I C 0.179 176.081 176.117 -0.358 0.000 0.998 236 I CA -0.406 60.697 61.300 -0.327 0.000 1.267 236 I CB 0.987 38.599 38.000 -0.646 0.000 1.386 236 I HN 0.643 nan 8.210 nan 0.000 0.476 237 D N 7.000 127.227 120.400 -0.288 0.000 2.416 237 D HA 0.085 4.726 4.640 0.002 0.000 0.240 237 D C 1.233 177.384 176.300 -0.247 0.000 1.250 237 D CA 0.008 53.871 54.000 -0.228 0.000 0.967 237 D CB 0.704 41.409 40.800 -0.158 0.000 1.059 237 D HN 0.450 nan 8.370 nan 0.000 0.512 238 L N 2.447 123.511 121.223 -0.266 0.000 2.046 238 L HA -0.197 4.145 4.340 0.002 0.000 0.208 238 L C 2.687 179.451 176.870 -0.176 0.000 1.077 238 L CA 1.498 56.203 54.840 -0.226 0.000 0.747 238 L CB -0.680 41.219 42.059 -0.267 0.000 0.896 238 L HN 0.439 nan 8.230 nan 0.000 0.432 239 T N -2.344 112.098 114.554 -0.188 0.000 2.881 239 T HA -0.262 4.089 4.350 0.002 0.000 0.270 239 T C 1.813 176.463 174.700 -0.084 0.000 1.068 239 T CA 1.499 63.510 62.100 -0.149 0.000 1.131 239 T CB -0.169 68.639 68.868 -0.101 0.000 0.871 239 T HN 0.244 nan 8.240 nan 0.000 0.479 240 K N 1.149 121.494 120.400 -0.092 0.000 2.167 240 K HA 0.067 4.388 4.320 0.002 0.000 0.203 240 K C 0.318 176.886 176.600 -0.053 0.000 1.052 240 K CA 0.630 56.875 56.287 -0.070 0.000 0.956 240 K CB 0.265 32.713 32.500 -0.087 0.000 0.735 240 K HN 0.317 nan 8.250 nan 0.000 0.451 241 N N -1.023 117.642 118.700 -0.058 0.000 3.186 241 N HA -0.047 4.694 4.740 0.002 0.000 0.230 241 N C -0.579 174.951 175.510 0.032 0.000 1.062 241 N CA 0.165 53.210 53.050 -0.007 0.000 1.084 241 N CB 1.383 39.877 38.487 0.011 0.000 1.662 241 N HN 0.074 nan 8.380 nan 0.000 0.627 242 S N 0.996 116.738 115.700 0.070 0.000 2.527 242 S HA 0.077 4.548 4.470 0.002 0.000 0.222 242 S C 0.483 175.227 174.600 0.241 0.000 0.985 242 S CA 0.434 58.720 58.200 0.143 0.000 0.921 242 S CB 0.345 63.623 63.200 0.130 0.000 0.772 242 S HN 0.562 nan 8.310 nan 0.000 0.529 243 E N 0.389 120.700 120.200 0.184 0.000 2.185 243 E HA 0.549 4.900 4.350 0.002 0.000 0.261 243 E C -1.072 175.612 176.600 0.140 0.000 0.879 243 E CA -0.984 55.464 56.400 0.081 0.000 0.756 243 E CB 0.910 30.593 29.700 -0.028 0.000 1.152 243 E HN 0.412 nan 8.360 nan 0.000 0.416 244 F N 1.079 120.978 119.950 -0.085 0.000 2.706 244 F HA 0.627 5.156 4.527 0.002 0.000 0.328 244 F C -0.826 174.910 175.800 -0.107 0.000 1.123 244 F CA -1.374 56.566 58.000 -0.100 0.000 0.978 244 F CB 1.020 39.966 39.000 -0.090 0.000 1.404 244 F HN 0.255 nan 8.300 nan 0.000 0.497 245 E N 1.251 121.461 120.200 0.016 0.000 2.218 245 E HA 0.483 4.835 4.350 0.002 0.000 0.263 245 E C -1.730 174.882 176.600 0.021 0.000 0.879 245 E CA -0.683 55.669 56.400 -0.080 0.000 0.762 245 E CB 1.451 31.091 29.700 -0.101 0.000 1.166 245 E HN 0.550 nan 8.360 nan 0.000 0.415 246 I N 4.422 125.010 120.570 0.031 0.000 2.412 246 I HA 0.379 4.550 4.170 0.002 0.000 0.296 246 I C -0.265 175.840 176.117 -0.020 0.000 0.987 246 I CA -0.873 60.472 61.300 0.075 0.000 1.180 246 I CB 1.370 39.483 38.000 0.189 0.000 1.340 246 I HN 0.329 nan 8.210 nan 0.000 0.455 247 V N 6.693 126.589 119.914 -0.029 0.000 2.656 247 V HA 0.459 4.580 4.120 0.002 0.000 0.307 247 V C -0.627 175.401 176.094 -0.109 0.000 1.051 247 V CA -0.771 61.482 62.300 -0.077 0.000 0.893 247 V CB 2.741 34.523 31.823 -0.069 0.000 0.999 247 V HN 0.481 nan 8.190 nan 0.000 0.426 248 L N 4.010 125.143 121.223 -0.149 0.000 2.343 248 L HA 0.753 5.095 4.340 0.002 0.000 0.278 248 L C -0.138 176.577 176.870 -0.259 0.000 0.996 248 L CA 0.558 55.236 54.840 -0.270 0.000 0.831 248 L CB 1.747 43.642 42.059 -0.273 0.000 1.232 248 L HN 0.684 nan 8.230 nan 0.000 0.413 249 S N 3.963 119.443 115.700 -0.366 0.000 2.578 249 S HA 0.757 5.228 4.470 0.002 0.000 0.301 249 S C -0.904 173.352 174.600 -0.573 0.000 1.091 249 S CA -0.286 57.750 58.200 -0.275 0.000 1.032 249 S CB 1.164 64.281 63.200 -0.139 0.000 1.064 249 S HN 0.393 nan 8.310 nan 0.000 0.508 250 F N 0.315 120.087 119.950 -0.296 0.000 2.579 250 F HA 0.847 5.375 4.527 0.002 0.000 0.324 250 F C 0.833 176.404 175.800 -0.382 0.000 1.058 250 F CA -0.371 57.304 58.000 -0.542 0.000 0.944 250 F CB 2.330 40.494 39.000 -1.394 0.000 1.245 250 F HN 0.766 nan 8.300 nan 0.000 0.477 251 G N 0.353 109.146 108.800 -0.011 0.000 2.466 251 G HA2 0.198 4.159 3.960 0.002 0.000 0.291 251 G HA3 0.198 4.159 3.960 0.002 0.000 0.291 251 G C -1.365 173.755 174.900 0.366 0.000 1.460 251 G CA -0.672 44.542 45.100 0.191 0.000 0.791 251 G HN 0.536 nan 8.290 nan 0.000 0.505 252 Q N -0.550 119.432 119.800 0.303 0.000 2.280 252 Q HA 0.351 4.692 4.340 0.002 0.000 0.202 252 Q C 0.476 176.540 176.000 0.107 0.000 0.903 252 Q CA 0.681 56.685 55.803 0.335 0.000 0.948 252 Q CB -0.015 28.863 28.738 0.233 0.000 1.058 252 Q HN 0.819 nan 8.270 nan 0.000 0.493 253 S N -2.582 112.963 115.700 -0.258 0.000 2.595 253 S HA 0.180 4.651 4.470 0.002 0.000 0.270 253 S C -0.192 173.983 174.600 -0.709 0.000 1.145 253 S CA -0.832 56.828 58.200 -0.900 0.000 0.825 253 S CB 0.813 63.786 63.200 -0.377 0.000 1.107 253 S HN -0.030 nan 8.310 nan 0.000 0.461 254 D N 1.627 121.614 120.400 -0.690 0.000 2.104 254 D HA -0.098 4.543 4.640 0.002 0.000 0.194 254 D C 2.016 178.243 176.300 -0.123 0.000 0.994 254 D CA 2.104 55.975 54.000 -0.214 0.000 0.830 254 D CB -0.411 40.361 40.800 -0.047 0.000 0.959 254 D HN 0.500 nan 8.370 nan 0.000 0.452 255 S N 0.047 115.673 115.700 -0.123 0.000 2.351 255 S HA -0.235 4.236 4.470 0.002 0.000 0.220 255 S C 1.858 176.427 174.600 -0.053 0.000 1.035 255 S CA 1.861 60.022 58.200 -0.067 0.000 1.031 255 S CB -0.228 62.938 63.200 -0.057 0.000 0.928 255 S HN 0.283 nan 8.310 nan 0.000 0.433 256 E N 0.345 120.509 120.200 -0.061 0.000 2.033 256 E HA -0.190 4.162 4.350 0.002 0.000 0.199 256 E C 2.252 178.841 176.600 -0.018 0.000 1.011 256 E CA 1.240 57.628 56.400 -0.020 0.000 0.815 256 E CB -0.498 29.206 29.700 0.006 0.000 0.755 256 E HN 0.592 nan 8.360 nan 0.000 0.451 257 A N 1.278 124.078 122.820 -0.034 0.000 1.859 257 A HA -0.226 4.096 4.320 0.002 0.000 0.217 257 A C 2.446 179.995 177.584 -0.059 0.000 1.198 257 A CA 2.582 54.589 52.037 -0.049 0.000 0.629 257 A CB -1.123 17.849 19.000 -0.047 0.000 0.830 257 A HN 0.458 nan 8.150 nan 0.000 0.446 258 A N -0.506 122.283 122.820 -0.052 0.000 1.908 258 A HA -0.205 4.117 4.320 0.002 0.000 0.218 258 A C 2.159 179.726 177.584 -0.028 0.000 1.181 258 A CA 2.199 54.212 52.037 -0.041 0.000 0.627 258 A CB -0.500 18.483 19.000 -0.028 0.000 0.818 258 A HN 0.609 nan 8.150 nan 0.000 0.445 259 K N -0.893 119.495 120.400 -0.021 0.000 2.057 259 K HA -0.136 4.185 4.320 0.002 0.000 0.207 259 K C 1.963 178.559 176.600 -0.007 0.000 1.049 259 K CA 1.858 58.139 56.287 -0.010 0.000 0.931 259 K CB -0.349 32.148 32.500 -0.005 0.000 0.714 259 K HN 0.441 nan 8.250 nan 0.000 0.440 260 T N 0.765 115.314 114.554 -0.008 0.000 2.788 260 T HA -0.122 4.229 4.350 0.002 0.000 0.268 260 T C 1.855 176.547 174.700 -0.013 0.000 1.044 260 T CA 1.269 63.368 62.100 -0.000 0.000 1.139 260 T CB -0.281 68.591 68.868 0.007 0.000 0.867 260 T HN 0.418 nan 8.240 nan 0.000 0.454 261 A N 1.301 124.101 122.820 -0.033 0.000 1.902 261 A HA 0.029 4.350 4.320 0.002 0.000 0.217 261 A C 2.308 179.877 177.584 -0.026 0.000 1.181 261 A CA 1.146 53.158 52.037 -0.041 0.000 0.623 261 A CB -0.841 18.124 19.000 -0.058 0.000 0.818 261 A HN 0.468 nan 8.150 nan 0.000 0.443 262 L N -0.714 120.498 121.223 -0.019 0.000 2.046 262 L HA -0.224 4.117 4.340 0.002 0.000 0.208 262 L C 2.611 179.479 176.870 -0.004 0.000 1.077 262 L CA 1.730 56.562 54.840 -0.013 0.000 0.747 262 L CB -0.643 41.411 42.059 -0.008 0.000 0.896 262 L HN 0.479 nan 8.230 nan 0.000 0.432 263 E N -0.557 119.643 120.200 0.001 0.000 2.077 263 E HA -0.185 4.166 4.350 0.002 0.000 0.193 263 E C 2.117 178.725 176.600 0.014 0.000 0.989 263 E CA 1.777 58.182 56.400 0.009 0.000 0.800 263 E CB -0.114 29.595 29.700 0.014 0.000 0.746 263 E HN 0.439 nan 8.360 nan 0.000 0.452 264 T N 1.386 115.946 114.554 0.010 0.000 2.777 264 T HA -0.079 4.272 4.350 0.002 0.000 0.266 264 T C 1.933 176.645 174.700 0.020 0.000 1.040 264 T CA 0.701 62.811 62.100 0.017 0.000 1.141 264 T CB -0.146 68.724 68.868 0.002 0.000 0.868 264 T HN 0.075 nan 8.240 nan 0.000 0.444 265 L N 0.653 121.879 121.223 0.004 0.000 2.131 265 L HA 0.011 4.352 4.340 0.002 0.000 0.210 265 L C 2.770 179.648 176.870 0.013 0.000 1.092 265 L CA 1.106 55.948 54.840 0.003 0.000 0.759 265 L CB -0.619 41.427 42.059 -0.022 0.000 0.903 265 L HN 0.350 nan 8.230 nan 0.000 0.435 266 G N -0.922 107.885 108.800 0.011 0.000 2.744 266 G HA2 -0.113 3.848 3.960 0.002 0.000 0.211 266 G HA3 -0.113 3.848 3.960 0.002 0.000 0.211 266 G C 0.543 175.457 174.900 0.024 0.000 1.143 266 G CA -0.138 44.970 45.100 0.013 0.000 0.788 266 G HN 0.275 nan 8.290 nan 0.000 0.534 267 E N 0.343 120.564 120.200 0.035 0.000 2.280 267 E HA 0.220 4.571 4.350 0.002 0.000 0.264 267 E C -0.587 176.050 176.600 0.063 0.000 1.064 267 E CA -0.735 55.691 56.400 0.044 0.000 0.900 267 E CB 0.751 30.480 29.700 0.048 0.000 1.123 267 E HN 0.064 nan 8.360 nan 0.000 0.418 268 D N 2.553 122.988 120.400 0.057 0.000 2.325 268 D HA -0.061 4.581 4.640 0.002 0.000 0.251 268 D C 0.492 176.855 176.300 0.104 0.000 1.196 268 D CA 0.024 54.069 54.000 0.076 0.000 0.866 268 D CB 0.456 41.283 40.800 0.046 0.000 1.101 268 D HN 0.571 nan 8.370 nan 0.000 0.476 269 Y N 6.144 126.468 120.300 0.041 0.000 2.002 269 Y HA -0.368 4.183 4.550 0.002 0.000 0.268 269 Y C 1.771 177.715 175.900 0.073 0.000 1.177 269 Y CA 2.138 60.285 58.100 0.079 0.000 1.111 269 Y CB -0.300 38.193 38.460 0.055 0.000 0.952 269 Y HN 0.493 nan 8.280 nan 0.000 0.491 270 N N 0.594 119.281 118.700 -0.022 0.000 2.137 270 N HA -0.243 4.498 4.740 0.002 0.000 0.190 270 N C 1.655 177.050 175.510 -0.191 0.000 1.017 270 N CA 1.394 54.345 53.050 -0.165 0.000 0.859 270 N CB -0.754 37.726 38.487 -0.011 0.000 1.002 270 N HN 0.536 nan 8.380 nan 0.000 0.428 271 N N 1.224 119.868 118.700 -0.094 0.000 2.084 271 N HA -0.050 4.691 4.740 0.002 0.000 0.190 271 N C 1.850 177.309 175.510 -0.085 0.000 1.030 271 N CA 0.654 53.663 53.050 -0.069 0.000 0.849 271 N CB -0.070 38.405 38.487 -0.019 0.000 1.012 271 N HN 0.238 nan 8.380 nan 0.000 0.423 272 L N 1.036 122.215 121.223 -0.072 0.000 2.056 272 L HA -0.125 4.216 4.340 0.002 0.000 0.207 272 L C 2.627 179.411 176.870 -0.144 0.000 1.078 272 L CA 1.005 55.849 54.840 0.007 0.000 0.749 272 L CB -0.381 41.772 42.059 0.156 0.000 0.901 272 L HN 0.188 nan 8.230 nan 0.000 0.433 273 K N 0.277 120.377 120.400 -0.499 0.000 2.026 273 K HA -0.190 4.132 4.320 0.002 0.000 0.208 273 K C 1.919 178.219 176.600 -0.500 0.000 1.048 273 K CA 1.636 57.299 56.287 -1.041 0.000 0.929 273 K CB 0.020 31.841 32.500 -1.133 0.000 0.713 273 K HN 0.286 nan 8.250 nan 0.000 0.439 274 N N 1.062 119.577 118.700 -0.310 0.000 2.188 274 N HA -0.131 4.611 4.740 0.002 0.000 0.184 274 N C 1.375 176.837 175.510 -0.080 0.000 1.018 274 N CA 1.217 54.168 53.050 -0.165 0.000 0.858 274 N CB -0.478 37.932 38.487 -0.129 0.000 0.989 274 N HN 0.377 nan 8.380 nan 0.000 0.426 275 N N -0.210 118.453 118.700 -0.061 0.000 2.188 275 N HA -0.171 4.570 4.740 0.002 0.000 0.184 275 N C 1.599 177.125 175.510 0.027 0.000 1.018 275 N CA 0.551 53.592 53.050 -0.014 0.000 0.858 275 N CB -0.108 38.382 38.487 0.004 0.000 0.989 275 N HN 0.253 nan 8.380 nan 0.000 0.426 276 Y N 1.982 122.236 120.300 -0.077 0.000 2.133 276 Y HA -0.078 4.474 4.550 0.002 0.000 0.287 276 Y C 2.066 178.027 175.900 0.101 0.000 1.134 276 Y CA 1.295 59.405 58.100 0.018 0.000 1.133 276 Y CB -0.202 38.264 38.460 0.010 0.000 0.987 276 Y HN -0.031 nan 8.280 nan 0.000 0.502 277 I N 0.089 120.770 120.570 0.184 0.000 2.179 277 I HA -0.319 3.853 4.170 0.002 0.000 0.242 277 I C 1.858 178.016 176.117 0.069 0.000 1.088 277 I CA 1.642 63.034 61.300 0.154 0.000 1.357 277 I CB -0.509 37.557 38.000 0.111 0.000 1.051 277 I HN 0.247 nan 8.210 nan 0.000 0.409 278 D N 0.631 121.038 120.400 0.011 0.000 2.144 278 D HA -0.206 4.435 4.640 0.002 0.000 0.199 278 D C 2.026 178.305 176.300 -0.035 0.000 0.984 278 D CA 1.144 55.137 54.000 -0.012 0.000 0.834 278 D CB -0.226 40.557 40.800 -0.028 0.000 0.955 278 D HN 0.405 nan 8.370 nan 0.000 0.465 279 E N -0.637 119.502 120.200 -0.102 0.000 2.110 279 E HA -0.165 4.187 4.350 0.002 0.000 0.193 279 E C 1.900 178.363 176.600 -0.230 0.000 0.988 279 E CA 0.872 57.143 56.400 -0.214 0.000 0.804 279 E CB -0.018 29.468 29.700 -0.357 0.000 0.745 279 E HN 0.389 nan 8.360 nan 0.000 0.458 280 W N -0.090 121.120 121.300 -0.150 0.000 2.453 280 W HA -0.068 4.594 4.660 0.003 0.000 0.289 280 W C 2.460 178.969 176.519 -0.016 0.000 1.215 280 W CA 1.088 58.377 57.345 -0.094 0.000 1.297 280 W CB -0.025 29.324 29.460 -0.185 0.000 1.113 280 W HN 0.034 nan 8.180 nan 0.000 0.551 281 T N 0.241 114.900 114.554 0.174 0.000 2.788 281 T HA -0.260 4.091 4.350 0.002 0.000 0.268 281 T C 1.685 176.413 174.700 0.046 0.000 1.044 281 T CA 1.609 63.749 62.100 0.067 0.000 1.139 281 T CB -0.327 68.551 68.868 0.017 0.000 0.867 281 T HN 0.144 nan 8.240 nan 0.000 0.454 282 K N 0.227 120.653 120.400 0.045 0.000 2.032 282 K HA -0.184 4.137 4.320 0.002 0.000 0.209 282 K C 2.213 178.856 176.600 0.071 0.000 1.048 282 K CA 1.358 57.663 56.287 0.030 0.000 0.927 282 K CB -0.387 32.115 32.500 0.002 0.000 0.712 282 K HN 0.474 nan 8.250 nan 0.000 0.441 283 Y N 1.054 121.360 120.300 0.010 0.000 2.145 283 Y HA -0.313 4.238 4.550 0.002 0.000 0.286 283 Y C 2.328 178.307 175.900 0.131 0.000 1.145 283 Y CA 1.808 59.942 58.100 0.057 0.000 1.148 283 Y CB -0.404 38.098 38.460 0.069 0.000 0.981 283 Y HN 0.193 nan 8.280 nan 0.000 0.507 284 C N 1.138 120.451 119.300 0.022 0.000 2.413 284 C HA -0.223 4.239 4.460 0.002 0.000 0.276 284 C C 2.190 177.170 174.990 -0.016 0.000 1.236 284 C CA 1.493 60.496 59.018 -0.026 0.000 1.735 284 C CB -1.371 26.326 27.740 -0.071 0.000 2.031 284 C HN 0.621 nan 8.230 nan 0.000 0.474 285 N N 0.044 118.718 118.700 -0.043 0.000 2.609 285 N HA -0.082 4.660 4.740 0.002 0.000 0.190 285 N C 1.435 176.940 175.510 -0.008 0.000 1.157 285 N CA 0.782 53.826 53.050 -0.011 0.000 0.918 285 N CB -0.389 38.084 38.487 -0.024 0.000 0.978 285 N HN 0.519 nan 8.380 nan 0.000 0.448 286 T N -0.089 114.428 114.554 -0.062 0.000 3.044 286 T HA 0.263 4.615 4.350 0.002 0.000 0.250 286 T C 0.702 175.362 174.700 -0.066 0.000 1.081 286 T CA -0.081 61.980 62.100 -0.065 0.000 1.040 286 T CB 0.262 69.084 68.868 -0.076 0.000 0.962 286 T HN 0.015 nan 8.240 nan 0.000 0.506 287 L N 2.001 123.193 121.223 -0.051 0.000 2.416 287 L HA 0.487 4.828 4.340 0.002 0.000 0.262 287 L C 0.252 177.173 176.870 0.084 0.000 1.093 287 L CA -1.292 53.564 54.840 0.028 0.000 0.801 287 L CB 0.437 42.534 42.059 0.063 0.000 1.191 287 L HN 0.008 nan 8.230 nan 0.000 0.459 288 N N 1.604 120.313 118.700 0.014 0.000 2.492 288 N HA -0.018 4.723 4.740 0.002 0.000 0.262 288 N C 0.130 175.536 175.510 -0.175 0.000 1.202 288 N CA 0.034 52.938 53.050 -0.243 0.000 0.926 288 N CB 0.371 38.462 38.487 -0.659 0.000 1.078 288 N HN 0.596 nan 8.380 nan 0.000 0.454 289 N N 0.617 119.222 118.700 -0.159 0.000 2.187 289 N HA 0.100 4.841 4.740 0.002 0.000 0.212 289 N C -0.747 174.820 175.510 0.095 0.000 1.152 289 N CA -0.424 52.670 53.050 0.073 0.000 0.872 289 N CB -0.248 38.349 38.487 0.183 0.000 1.025 289 N HN 0.394 nan 8.380 nan 0.000 0.514 290 F N 1.246 121.148 119.950 -0.079 0.000 2.773 290 F HA -0.285 4.244 4.527 0.002 0.000 0.251 290 F C -0.131 175.627 175.800 -0.070 0.000 1.020 290 F CA 0.136 58.070 58.000 -0.110 0.000 0.924 290 F CB -2.364 36.512 39.000 -0.206 0.000 0.919 290 F HN 0.220 nan 8.300 nan 0.000 0.846 291 N N -0.576 118.137 118.700 0.022 0.000 2.725 291 N HA -0.204 4.538 4.740 0.002 0.000 0.251 291 N C 1.150 176.696 175.510 0.059 0.000 1.031 291 N CA 1.628 54.695 53.050 0.029 0.000 0.720 291 N CB -1.211 37.290 38.487 0.022 0.000 0.930 291 N HN 1.507 nan 8.380 nan 0.000 0.543 292 G N -0.924 107.927 108.800 0.085 0.000 2.155 292 G HA2 -0.396 3.565 3.960 0.002 0.000 0.257 292 G HA3 -0.396 3.565 3.960 0.002 0.000 0.257 292 G C 0.981 175.962 174.900 0.134 0.000 0.983 292 G CA 1.019 46.184 45.100 0.109 0.000 0.676 292 G HN 0.560 nan 8.290 nan 0.000 0.528 293 K N 0.280 120.770 120.400 0.150 0.000 2.186 293 K HA 0.437 4.758 4.320 0.002 0.000 0.202 293 K C 1.800 178.566 176.600 0.277 0.000 1.052 293 K CA 0.506 56.889 56.287 0.161 0.000 0.965 293 K CB 0.042 32.576 32.500 0.056 0.000 0.746 293 K HN 0.746 nan 8.250 nan 0.000 0.457 294 A N 3.535 126.509 122.820 0.256 0.000 2.591 294 A HA -0.112 4.209 4.320 0.002 0.000 0.244 294 A C 0.120 177.777 177.584 0.121 0.000 1.031 294 A CA 0.396 52.467 52.037 0.056 0.000 0.767 294 A CB -0.654 18.267 19.000 -0.131 0.000 0.942 294 A HN 0.573 nan 8.150 nan 0.000 0.514 295 N N 0.548 119.201 118.700 -0.077 0.000 2.671 295 N HA 0.425 5.167 4.740 0.002 0.000 0.303 295 N C 1.176 176.774 175.510 0.147 0.000 1.277 295 N CA -0.197 52.884 53.050 0.052 0.000 0.933 295 N CB 0.914 39.386 38.487 -0.025 0.000 1.190 295 N HN 0.533 nan 8.380 nan 0.000 0.600 296 S N -0.084 115.698 115.700 0.136 0.000 2.368 296 S HA -0.206 4.266 4.470 0.002 0.000 0.225 296 S C 1.845 176.483 174.600 0.065 0.000 1.030 296 S CA 0.734 59.020 58.200 0.143 0.000 0.999 296 S CB -0.635 62.606 63.200 0.067 0.000 0.844 296 S HN 0.531 nan 8.310 nan 0.000 0.459 297 L N 0.671 121.871 121.223 -0.039 0.000 2.083 297 L HA 0.018 4.359 4.340 0.002 0.000 0.209 297 L C 2.267 179.105 176.870 -0.054 0.000 1.083 297 L CA 1.645 56.400 54.840 -0.142 0.000 0.752 297 L CB -1.315 40.495 42.059 -0.415 0.000 0.899 297 L HN 0.468 nan 8.230 nan 0.000 0.433 298 Y N -0.954 119.237 120.300 -0.182 0.000 2.097 298 Y HA -0.331 4.221 4.550 0.002 0.000 0.282 298 Y C 2.275 178.075 175.900 -0.166 0.000 1.152 298 Y CA 2.111 60.068 58.100 -0.239 0.000 1.136 298 Y CB -0.756 37.332 38.460 -0.620 0.000 0.975 298 Y HN 0.257 nan 8.280 nan 0.000 0.498 299 Y N 0.548 120.790 120.300 -0.097 0.000 2.242 299 Y HA -0.199 4.352 4.550 0.002 0.000 0.291 299 Y C 2.754 178.554 175.900 -0.166 0.000 1.137 299 Y CA 1.671 59.668 58.100 -0.171 0.000 1.181 299 Y CB -1.007 37.446 38.460 -0.012 0.000 0.989 299 Y HN 0.335 nan 8.280 nan 0.000 0.527 300 N N -0.402 118.302 118.700 0.006 0.000 2.084 300 N HA -0.178 4.563 4.740 0.002 0.000 0.190 300 N C 1.842 177.254 175.510 -0.164 0.000 1.030 300 N CA 1.470 54.466 53.050 -0.090 0.000 0.849 300 N CB -0.012 38.432 38.487 -0.072 0.000 1.012 300 N HN 0.237 nan 8.380 nan 0.000 0.423 301 S N 0.776 116.403 115.700 -0.122 0.000 2.348 301 S HA -0.090 4.382 4.470 0.002 0.000 0.221 301 S C 2.030 176.531 174.600 -0.165 0.000 1.033 301 S CA 1.030 59.157 58.200 -0.122 0.000 1.010 301 S CB -0.143 63.140 63.200 0.137 0.000 0.891 301 S HN 0.346 nan 8.310 nan 0.000 0.442 302 M N 0.852 120.346 119.600 -0.177 0.000 2.159 302 M HA 0.014 4.496 4.480 0.002 0.000 0.263 302 M C 2.126 178.498 176.300 0.121 0.000 1.063 302 M CA 1.403 56.652 55.300 -0.085 0.000 1.110 302 M CB -1.351 31.148 32.600 -0.167 0.000 1.374 302 M HN 0.353 nan 8.290 nan 0.000 0.411 303 M N -0.559 119.071 119.600 0.051 0.000 2.086 303 M HA -0.190 4.292 4.480 0.002 0.000 0.261 303 M C 2.203 178.420 176.300 -0.137 0.000 1.067 303 M CA 1.497 56.771 55.300 -0.043 0.000 1.116 303 M CB -0.479 31.879 32.600 -0.404 0.000 1.348 303 M HN 0.152 nan 8.290 nan 0.000 0.407 304 I N 0.386 120.835 120.570 -0.203 0.000 2.208 304 I HA -0.326 3.845 4.170 0.002 0.000 0.245 304 I C 2.272 178.364 176.117 -0.042 0.000 1.097 304 I CA 1.323 62.509 61.300 -0.189 0.000 1.363 304 I CB -0.419 37.363 38.000 -0.364 0.000 1.051 304 I HN 0.325 nan 8.210 nan 0.000 0.413 305 L N 0.124 121.325 121.223 -0.037 0.000 2.046 305 L HA -0.206 4.136 4.340 0.002 0.000 0.208 305 L C 2.656 179.750 176.870 0.374 0.000 1.077 305 L CA 1.195 56.045 54.840 0.018 0.000 0.747 305 L CB -0.708 41.133 42.059 -0.363 0.000 0.896 305 L HN 0.193 nan 8.230 nan 0.000 0.432 306 K N 0.599 121.267 120.400 0.446 0.000 2.147 306 K HA -0.119 4.203 4.320 0.002 0.000 0.205 306 K C 1.851 178.719 176.600 0.447 0.000 1.049 306 K CA 1.468 58.060 56.287 0.507 0.000 0.936 306 K CB -0.101 32.551 32.500 0.254 0.000 0.722 306 K HN 0.280 nan 8.250 nan 0.000 0.446 307 A N 0.026 123.093 122.820 0.412 0.000 2.238 307 A HA 0.035 4.356 4.320 0.002 0.000 0.208 307 A C 1.479 179.293 177.584 0.384 0.000 1.177 307 A CA 0.574 52.862 52.037 0.418 0.000 0.804 307 A CB 0.049 19.228 19.000 0.298 0.000 0.823 307 A HN 0.125 nan 8.150 nan 0.000 0.482 308 S N -0.155 115.737 115.700 0.320 0.000 2.597 308 S HA 0.113 4.585 4.470 0.002 0.000 0.224 308 S C 0.359 174.999 174.600 0.067 0.000 0.955 308 S CA -0.345 57.963 58.200 0.181 0.000 0.933 308 S CB -0.029 63.299 63.200 0.214 0.000 0.788 308 S HN 0.734 nan 8.310 nan 0.000 0.488 309 E N 1.906 122.103 120.200 -0.005 0.000 2.231 309 E HA 0.210 4.562 4.350 0.002 0.000 0.277 309 E C -1.048 175.493 176.600 -0.099 0.000 0.999 309 E CA -0.602 55.518 56.400 -0.467 0.000 0.827 309 E CB 0.881 30.153 29.700 -0.714 0.000 1.101 309 E HN 0.054 nan 8.360 nan 0.000 0.393 310 D N 2.421 122.696 120.400 -0.208 0.000 2.345 310 D HA 0.033 4.675 4.640 0.002 0.000 0.247 310 D C 0.359 176.782 176.300 0.205 0.000 1.108 310 D CA 0.089 54.077 54.000 -0.020 0.000 0.894 310 D CB 0.984 41.697 40.800 -0.145 0.000 1.203 310 D HN 0.338 nan 8.370 nan 0.000 0.430 311 K N 1.405 122.068 120.400 0.438 0.000 2.444 311 K HA 0.050 4.372 4.320 0.002 0.000 0.193 311 K C 0.910 177.629 176.600 0.200 0.000 1.024 311 K CA 0.443 56.991 56.287 0.435 0.000 1.077 311 K CB 0.451 33.156 32.500 0.341 0.000 0.833 311 K HN 0.411 nan 8.250 nan 0.000 0.517 312 T N 0.287 114.906 114.554 0.109 0.000 3.087 312 T HA 0.051 4.403 4.350 0.002 0.000 0.237 312 T C 0.657 175.345 174.700 -0.020 0.000 0.990 312 T CA 0.144 62.260 62.100 0.026 0.000 1.160 312 T CB 0.161 69.050 68.868 0.034 0.000 0.923 312 T HN 0.046 nan 8.240 nan 0.000 0.442 313 N N 3.032 121.723 118.700 -0.015 0.000 2.767 313 N HA 0.225 4.966 4.740 0.002 0.000 0.238 313 N C -0.684 174.768 175.510 -0.096 0.000 1.083 313 N CA 0.027 53.069 53.050 -0.014 0.000 0.964 313 N CB 0.655 39.164 38.487 0.037 0.000 1.252 313 N HN 0.406 nan 8.380 nan 0.000 0.512 314 K N -0.315 120.023 120.400 -0.102 0.000 2.469 314 K HA 0.102 4.423 4.320 0.002 0.000 0.274 314 K C 1.175 177.707 176.600 -0.114 0.000 0.983 314 K CA 0.579 56.781 56.287 -0.141 0.000 0.974 314 K CB 0.514 32.894 32.500 -0.201 0.000 0.913 314 K HN 0.614 nan 8.250 nan 0.000 0.493 315 G N 0.749 109.442 108.800 -0.180 0.000 2.241 315 G HA2 -0.326 3.635 3.960 0.002 0.000 0.244 315 G HA3 -0.326 3.635 3.960 0.002 0.000 0.244 315 G C 0.252 174.944 174.900 -0.348 0.000 0.998 315 G CA 0.029 45.097 45.100 -0.055 0.000 0.621 315 G HN 0.806 nan 8.290 nan 0.000 0.519 316 A N 0.671 122.996 122.820 -0.825 0.000 2.797 316 A HA 0.618 4.940 4.320 0.002 0.000 0.296 316 A C -0.240 176.987 177.584 -0.595 0.000 1.580 316 A CA -0.061 51.302 52.037 -1.124 0.000 1.277 316 A CB -0.485 17.839 19.000 -1.126 0.000 1.101 316 A HN 0.537 nan 8.150 nan 0.000 0.562 317 Y N 2.386 122.578 120.300 -0.180 0.000 2.350 317 Y HA 0.415 4.967 4.550 0.003 0.000 0.340 317 Y C 0.889 176.780 175.900 -0.015 0.000 1.006 317 Y CA -0.567 57.516 58.100 -0.029 0.000 1.166 317 Y CB 0.828 39.345 38.460 0.095 0.000 1.168 317 Y HN 0.676 nan 8.280 nan 0.000 0.502 318 I N -0.201 120.415 120.570 0.077 0.000 2.886 318 I HA 0.553 4.724 4.170 0.002 0.000 0.299 318 I C 0.990 177.202 176.117 0.158 0.000 1.044 318 I CA -0.533 60.810 61.300 0.073 0.000 1.310 318 I CB 1.272 39.250 38.000 -0.038 0.000 1.441 318 I HN 0.631 nan 8.210 nan 0.000 0.578 319 A N 2.885 125.830 122.820 0.208 0.000 1.929 319 A HA 0.085 4.406 4.320 0.002 0.000 0.216 319 A C 1.266 178.955 177.584 0.175 0.000 1.176 319 A CA 1.411 53.554 52.037 0.177 0.000 0.628 319 A CB -0.314 18.691 19.000 0.009 0.000 0.816 319 A HN 0.828 nan 8.150 nan 0.000 0.444 320 S N -2.080 113.720 115.700 0.167 0.000 2.548 320 S HA 0.409 4.880 4.470 0.002 0.000 0.278 320 S C -1.331 173.281 174.600 0.020 0.000 1.150 320 S CA -0.620 57.635 58.200 0.091 0.000 0.907 320 S CB 1.004 64.260 63.200 0.094 0.000 1.108 320 S HN 0.449 nan 8.310 nan 0.000 0.459 321 L N 5.003 126.185 121.223 -0.068 0.000 2.727 321 L HA 0.547 4.889 4.340 0.002 0.000 0.237 321 L C -0.005 176.842 176.870 -0.038 0.000 1.370 321 L CA 0.618 55.366 54.840 -0.152 0.000 1.248 321 L CB -1.127 40.788 42.059 -0.241 0.000 1.556 321 L HN 0.730 nan 8.230 nan 0.000 0.420 322 S N -0.133 115.573 115.700 0.010 0.000 2.656 322 S HA 0.676 5.148 4.470 0.002 0.000 0.273 322 S C -0.656 173.931 174.600 -0.021 0.000 1.168 322 S CA -0.873 57.323 58.200 -0.007 0.000 0.817 322 S CB 1.248 64.368 63.200 -0.134 0.000 1.146 322 S HN 0.061 nan 8.310 nan 0.000 0.475 323 I N 2.257 122.784 120.570 -0.071 0.000 2.495 323 I HA 0.355 4.527 4.170 0.002 0.000 0.277 323 I C -2.514 173.523 176.117 -0.135 0.000 1.045 323 I CA -2.325 58.923 61.300 -0.086 0.000 1.135 323 I CB 2.042 39.973 38.000 -0.114 0.000 1.241 323 I HN 0.460 nan 8.210 nan 0.000 0.469 324 P HA -0.192 nan 4.420 nan 0.000 0.261 324 P C 0.008 177.192 177.300 -0.194 0.000 1.173 324 P CA 0.543 63.278 63.100 -0.608 0.000 0.760 324 P CB 0.329 31.470 31.700 -0.931 0.000 0.783 325 W N 1.325 122.582 121.300 -0.072 0.000 4.973 325 W HA -0.168 4.493 4.660 0.002 0.000 0.350 325 W C 1.397 177.950 176.519 0.055 0.000 1.280 325 W CA 0.834 58.167 57.345 -0.021 0.000 0.854 325 W CB -2.763 26.676 29.460 -0.034 0.000 2.367 325 W HN 0.626 nan 8.180 nan 0.000 1.511 326 G N 1.505 110.417 108.800 0.186 0.000 2.450 326 G HA2 -0.303 3.658 3.960 0.002 0.000 0.220 326 G HA3 -0.303 3.658 3.960 0.002 0.000 0.220 326 G C 1.176 176.267 174.900 0.317 0.000 1.130 326 G CA 1.493 46.764 45.100 0.284 0.000 0.760 326 G HN 0.436 nan 8.290 nan 0.000 0.557 327 D N 0.412 120.953 120.400 0.234 0.000 2.371 327 D HA 0.088 4.729 4.640 0.002 0.000 0.234 327 D C 1.679 178.113 176.300 0.224 0.000 1.049 327 D CA 0.725 54.850 54.000 0.208 0.000 0.907 327 D CB -0.349 40.547 40.800 0.160 0.000 0.891 327 D HN 0.334 nan 8.370 nan 0.000 0.531 328 G N -0.588 108.366 108.800 0.256 0.000 3.441 328 G HA2 0.040 4.002 3.960 0.002 0.000 0.263 328 G HA3 0.040 4.002 3.960 0.002 0.000 0.263 328 G C 0.199 175.288 174.900 0.315 0.000 1.014 328 G CA -0.341 44.929 45.100 0.283 0.000 0.833 328 G HN -0.005 nan 8.290 nan 0.000 0.514 329 Q N 0.511 120.497 119.800 0.311 0.000 2.342 329 Q HA 0.420 4.761 4.340 0.002 0.000 0.267 329 Q C -0.482 175.696 176.000 0.297 0.000 1.038 329 Q CA -0.941 55.061 55.803 0.332 0.000 0.832 329 Q CB 2.429 31.401 28.738 0.391 0.000 1.323 329 Q HN 0.328 nan 8.270 nan 0.000 0.448 330 R N 1.386 122.030 120.500 0.240 0.000 2.679 330 R HA -0.044 4.297 4.340 0.002 0.000 0.268 330 R C 0.009 176.394 176.300 0.141 0.000 1.044 330 R CA 0.096 56.286 56.100 0.151 0.000 1.105 330 R CB 0.374 30.748 30.300 0.124 0.000 0.989 330 R HN 0.578 nan 8.270 nan 0.000 0.447 331 D N 1.616 121.958 120.400 -0.097 0.000 2.488 331 D HA -0.065 4.576 4.640 0.002 0.000 0.260 331 D C -0.669 175.611 176.300 -0.033 0.000 1.273 331 D CA 0.276 54.026 54.000 -0.418 0.000 0.912 331 D CB -0.342 39.942 40.800 -0.859 0.000 0.982 331 D HN 0.349 nan 8.370 nan 0.000 0.492 332 D N 0.281 120.816 120.400 0.225 0.000 2.398 332 D HA 0.005 4.646 4.640 0.002 0.000 0.247 332 D C 0.225 176.792 176.300 0.446 0.000 1.227 332 D CA -0.360 53.794 54.000 0.258 0.000 0.980 332 D CB 0.312 41.243 40.800 0.218 0.000 1.106 332 D HN 0.164 nan 8.370 nan 0.000 0.493 333 N N -0.368 118.538 118.700 0.344 0.000 2.438 333 N HA 0.027 4.769 4.740 0.002 0.000 0.267 333 N C -1.282 174.464 175.510 0.394 0.000 1.222 333 N CA 0.561 53.841 53.050 0.384 0.000 0.930 333 N CB 0.288 38.946 38.487 0.284 0.000 1.083 333 N HN 0.083 nan 8.380 nan 0.000 0.476 334 T N 1.837 116.622 114.554 0.385 0.000 2.903 334 T HA 0.468 4.819 4.350 0.002 0.000 0.299 334 T C 1.121 175.898 174.700 0.128 0.000 1.093 334 T CA -0.572 61.699 62.100 0.284 0.000 1.002 334 T CB 1.737 70.730 68.868 0.209 0.000 1.127 334 T HN 0.501 nan 8.240 nan 0.000 0.488 335 G N 0.085 108.802 108.800 -0.138 0.000 2.683 335 G HA2 0.421 4.382 3.960 0.002 0.000 0.213 335 G HA3 0.421 4.382 3.960 0.002 0.000 0.213 335 G C 1.066 175.298 174.900 -1.114 0.000 1.142 335 G CA 0.563 45.132 45.100 -0.885 0.000 0.793 335 G HN 1.262 nan 8.290 nan 0.000 0.534 336 G N 0.178 108.661 108.800 -0.528 0.000 2.634 336 G HA2 -0.377 3.585 3.960 0.002 0.000 0.309 336 G HA3 -0.377 3.585 3.960 0.002 0.000 0.309 336 G C 0.660 175.505 174.900 -0.092 0.000 1.265 336 G CA 0.849 45.798 45.100 -0.251 0.000 0.998 336 G HN 0.297 nan 8.290 nan 0.000 0.551 337 Y N 2.007 122.136 120.300 -0.285 0.000 2.481 337 Y HA 0.284 4.836 4.550 0.002 0.000 0.247 337 Y C 1.703 177.555 175.900 -0.080 0.000 1.151 337 Y CA 0.593 58.660 58.100 -0.055 0.000 1.238 337 Y CB -0.102 38.327 38.460 -0.052 0.000 1.179 337 Y HN 0.699 nan 8.280 nan 0.000 0.524 338 H N -1.214 117.832 119.070 -0.040 0.000 2.768 338 H HA 0.532 5.090 4.556 0.002 0.000 0.219 338 H C -0.847 174.316 175.328 -0.275 0.000 1.898 338 H CA -0.348 55.596 56.048 -0.172 0.000 1.313 338 H CB -0.560 29.048 29.762 -0.257 0.000 1.701 338 H HN -0.066 nan 8.280 nan 0.000 0.534 339 L N 1.017 122.093 121.223 -0.245 0.000 2.341 339 L HA 0.466 4.807 4.340 0.002 0.000 0.254 339 L C -0.617 176.132 176.870 -0.201 0.000 1.040 339 L CA -1.400 53.153 54.840 -0.480 0.000 0.837 339 L CB 2.581 43.975 42.059 -1.109 0.000 1.425 339 L HN 0.257 nan 8.230 nan 0.000 0.414 340 V N 0.936 120.706 119.914 -0.240 0.000 2.350 340 V HA 0.370 4.492 4.120 0.002 0.000 0.276 340 V C -0.896 175.192 176.094 -0.010 0.000 1.028 340 V CA -0.626 61.673 62.300 -0.001 0.000 0.860 340 V CB 1.283 33.163 31.823 0.095 0.000 0.990 340 V HN 0.509 nan 8.190 nan 0.000 0.453 341 W N 2.826 124.118 121.300 -0.013 0.000 2.529 341 W HA 0.250 4.912 4.660 0.003 0.000 0.321 341 W C 1.421 177.954 176.519 0.024 0.000 1.047 341 W CA -0.468 56.876 57.345 -0.001 0.000 1.216 341 W CB 2.239 31.689 29.460 -0.017 0.000 1.357 341 W HN 0.687 nan 8.180 nan 0.000 0.489 342 S N 2.994 118.833 115.700 0.230 0.000 2.370 342 S HA -0.252 4.219 4.470 0.002 0.000 0.226 342 S C 1.952 176.604 174.600 0.087 0.000 1.033 342 S CA 1.627 59.911 58.200 0.140 0.000 1.011 342 S CB -0.126 63.120 63.200 0.075 0.000 0.852 342 S HN 0.563 nan 8.310 nan 0.000 0.457 343 R N 0.501 121.037 120.500 0.060 0.000 2.070 343 R HA -0.119 4.222 4.340 0.002 0.000 0.232 343 R C 1.742 177.932 176.300 -0.183 0.000 1.138 343 R CA 2.271 58.309 56.100 -0.103 0.000 0.936 343 R CB -0.739 29.476 30.300 -0.142 0.000 0.839 343 R HN 0.395 nan 8.270 nan 0.000 0.429 344 D N 0.736 121.047 120.400 -0.150 0.000 2.123 344 D HA -0.197 4.444 4.640 0.002 0.000 0.196 344 D C 1.872 178.161 176.300 -0.018 0.000 0.992 344 D CA 1.309 55.212 54.000 -0.163 0.000 0.833 344 D CB -0.152 40.656 40.800 0.013 0.000 0.954 344 D HN 0.263 nan 8.370 nan 0.000 0.455 345 L N -0.429 120.848 121.223 0.090 0.000 2.046 345 L HA -0.212 4.129 4.340 0.002 0.000 0.208 345 L C 2.267 179.179 176.870 0.069 0.000 1.077 345 L CA 1.245 56.164 54.840 0.132 0.000 0.747 345 L CB -0.322 41.873 42.059 0.226 0.000 0.896 345 L HN 0.082 nan 8.230 nan 0.000 0.432 346 Y N 0.339 120.570 120.300 -0.115 0.000 2.081 346 Y HA -0.367 4.184 4.550 0.002 0.000 0.280 346 Y C 2.646 178.403 175.900 -0.238 0.000 1.163 346 Y CA 2.295 60.273 58.100 -0.204 0.000 1.135 346 Y CB -0.699 37.549 38.460 -0.355 0.000 0.970 346 Y HN 0.330 nan 8.280 nan 0.000 0.498 347 H N -1.106 117.765 119.070 -0.332 0.000 2.387 347 H HA -0.112 4.446 4.556 0.002 0.000 0.299 347 H C 2.562 177.752 175.328 -0.231 0.000 1.090 347 H CA 1.765 57.583 56.048 -0.383 0.000 1.332 347 H CB -0.647 28.897 29.762 -0.363 0.000 1.386 347 H HN 0.359 nan 8.280 nan 0.000 0.516 348 V N 1.200 121.073 119.914 -0.068 0.000 2.407 348 V HA -0.219 3.903 4.120 0.002 0.000 0.248 348 V C 2.785 178.756 176.094 -0.205 0.000 1.055 348 V CA 1.376 63.575 62.300 -0.167 0.000 1.049 348 V CB -0.931 30.796 31.823 -0.159 0.000 0.662 348 V HN 0.452 nan 8.190 nan 0.000 0.455 349 A N 0.460 123.237 122.820 -0.071 0.000 1.902 349 A HA -0.221 4.100 4.320 0.002 0.000 0.217 349 A C 2.056 179.647 177.584 0.013 0.000 1.181 349 A CA 1.936 54.011 52.037 0.064 0.000 0.623 349 A CB -0.632 18.400 19.000 0.053 0.000 0.818 349 A HN 0.589 nan 8.150 nan 0.000 0.443 350 N N 0.508 119.126 118.700 -0.136 0.000 2.223 350 N HA -0.107 4.634 4.740 0.002 0.000 0.185 350 N C 1.830 177.322 175.510 -0.030 0.000 1.016 350 N CA 1.432 54.414 53.050 -0.113 0.000 0.863 350 N CB -0.502 37.849 38.487 -0.226 0.000 0.983 350 N HN 0.501 nan 8.380 nan 0.000 0.429 351 A N 0.603 123.380 122.820 -0.072 0.000 1.873 351 A HA -0.057 4.265 4.320 0.002 0.000 0.215 351 A C 1.937 179.515 177.584 -0.009 0.000 1.186 351 A CA 0.847 52.843 52.037 -0.069 0.000 0.616 351 A CB -0.784 18.104 19.000 -0.187 0.000 0.823 351 A HN 0.106 nan 8.150 nan 0.000 0.442 352 F N 0.483 120.440 119.950 0.012 0.000 2.126 352 F HA -0.184 4.344 4.527 0.002 0.000 0.299 352 F C 2.247 178.079 175.800 0.053 0.000 1.096 352 F CA 0.812 58.834 58.000 0.036 0.000 1.255 352 F CB -0.474 38.523 39.000 -0.005 0.000 0.997 352 F HN 0.114 nan 8.300 nan 0.000 0.479 353 I N 0.132 120.833 120.570 0.217 0.000 2.127 353 I HA -0.309 3.863 4.170 0.002 0.000 0.241 353 I C 2.639 178.833 176.117 0.129 0.000 1.075 353 I CA 1.702 63.080 61.300 0.130 0.000 1.334 353 I CB -1.925 36.117 38.000 0.069 0.000 1.040 353 I HN 0.089 nan 8.210 nan 0.000 0.405 354 A N 0.527 123.430 122.820 0.138 0.000 2.019 354 A HA -0.006 4.315 4.320 0.002 0.000 0.219 354 A C 2.413 180.175 177.584 0.297 0.000 1.164 354 A CA 1.670 53.820 52.037 0.188 0.000 0.644 354 A CB -0.547 18.555 19.000 0.171 0.000 0.805 354 A HN 0.448 nan 8.150 nan 0.000 0.449 355 A N -2.298 120.696 122.820 0.289 0.000 2.132 355 A HA 0.416 4.737 4.320 0.002 0.000 0.213 355 A C 1.844 179.542 177.584 0.190 0.000 1.154 355 A CA 1.325 53.568 52.037 0.343 0.000 0.753 355 A CB -0.508 18.656 19.000 0.273 0.000 0.826 355 A HN 1.767 nan 8.150 nan 0.000 0.469 356 G N -0.645 108.240 108.800 0.143 0.000 2.201 356 G HA2 -0.211 3.751 3.960 0.002 0.000 0.212 356 G HA3 -0.211 3.751 3.960 0.002 0.000 0.212 356 G C 0.123 175.077 174.900 0.089 0.000 0.994 356 G CA 0.344 45.489 45.100 0.074 0.000 0.644 356 G HN 0.485 nan 8.290 nan 0.000 0.508 357 D N 1.487 121.983 120.400 0.159 0.000 2.741 357 D HA 0.460 5.101 4.640 0.002 0.000 0.233 357 D C 1.854 178.208 176.300 0.090 0.000 1.160 357 D CA 0.088 54.179 54.000 0.152 0.000 1.003 357 D CB 0.227 41.197 40.800 0.284 0.000 1.064 357 D HN 0.122 nan 8.370 nan 0.000 0.503 358 V N 1.389 121.341 119.914 0.063 0.000 2.568 358 V HA -0.227 3.894 4.120 0.002 0.000 0.253 358 V C 1.761 177.858 176.094 0.004 0.000 1.072 358 V CA 1.447 63.770 62.300 0.038 0.000 1.084 358 V CB -0.298 31.537 31.823 0.021 0.000 0.676 358 V HN 0.358 nan 8.190 nan 0.000 0.469 359 D N 0.211 120.607 120.400 -0.006 0.000 2.104 359 D HA -0.133 4.508 4.640 0.002 0.000 0.194 359 D C 2.465 178.728 176.300 -0.062 0.000 0.994 359 D CA 1.793 55.782 54.000 -0.018 0.000 0.830 359 D CB -0.299 40.502 40.800 0.001 0.000 0.959 359 D HN 0.394 nan 8.370 nan 0.000 0.452 360 S N 0.300 115.882 115.700 -0.197 0.000 2.368 360 S HA -0.146 4.326 4.470 0.002 0.000 0.225 360 S C 2.095 176.574 174.600 -0.202 0.000 1.030 360 S CA 1.147 59.115 58.200 -0.386 0.000 0.999 360 S CB -0.302 62.083 63.200 -1.358 0.000 0.844 360 S HN 0.378 nan 8.310 nan 0.000 0.459 361 A N 2.641 125.392 122.820 -0.115 0.000 1.883 361 A HA -0.181 4.140 4.320 0.002 0.000 0.217 361 A C 1.991 179.616 177.584 0.070 0.000 1.186 361 A CA 1.617 53.690 52.037 0.060 0.000 0.624 361 A CB -0.751 18.308 19.000 0.097 0.000 0.822 361 A HN 0.458 nan 8.150 nan 0.000 0.444 362 N N -0.755 117.968 118.700 0.039 0.000 2.166 362 N HA -0.136 4.605 4.740 0.002 0.000 0.186 362 N C 1.932 177.485 175.510 0.070 0.000 1.019 362 N CA 1.216 54.292 53.050 0.044 0.000 0.856 362 N CB -0.348 38.149 38.487 0.017 0.000 0.993 362 N HN 0.540 nan 8.380 nan 0.000 0.426 363 R N 0.867 121.410 120.500 0.072 0.000 2.105 363 R HA -0.104 4.237 4.340 0.002 0.000 0.239 363 R C 2.419 178.826 176.300 0.177 0.000 1.135 363 R CA 1.757 57.916 56.100 0.099 0.000 0.967 363 R CB -0.070 30.283 30.300 0.089 0.000 0.861 363 R HN 0.301 nan 8.270 nan 0.000 0.442 364 S N 0.236 116.082 115.700 0.243 0.000 2.387 364 S HA -0.132 4.339 4.470 0.002 0.000 0.226 364 S C 1.938 176.697 174.600 0.265 0.000 1.026 364 S CA 0.802 59.199 58.200 0.328 0.000 0.972 364 S CB -0.320 63.103 63.200 0.371 0.000 0.814 364 S HN 0.288 nan 8.310 nan 0.000 0.477 365 L N 2.527 123.858 121.223 0.179 0.000 2.046 365 L HA -0.026 4.315 4.340 0.002 0.000 0.208 365 L C 1.749 178.687 176.870 0.114 0.000 1.077 365 L CA 2.005 56.927 54.840 0.136 0.000 0.747 365 L CB -0.979 41.138 42.059 0.097 0.000 0.896 365 L HN 0.177 nan 8.230 nan 0.000 0.432 366 D N -1.721 118.746 120.400 0.111 0.000 2.178 366 D HA -0.240 4.402 4.640 0.002 0.000 0.202 366 D C 1.944 178.300 176.300 0.093 0.000 0.974 366 D CA 1.234 55.283 54.000 0.080 0.000 0.841 366 D CB -0.117 40.723 40.800 0.067 0.000 0.953 366 D HN 0.468 nan 8.370 nan 0.000 0.478 367 Y N 1.674 121.998 120.300 0.040 0.000 2.145 367 Y HA -0.144 4.407 4.550 0.002 0.000 0.286 367 Y C 2.216 178.135 175.900 0.030 0.000 1.145 367 Y CA 1.195 59.314 58.100 0.032 0.000 1.148 367 Y CB -0.502 37.988 38.460 0.051 0.000 0.981 367 Y HN -0.116 nan 8.280 nan 0.000 0.507 368 L N -0.222 120.995 121.223 -0.009 0.000 2.042 368 L HA -0.257 4.085 4.340 0.002 0.000 0.210 368 L C 2.794 179.591 176.870 -0.121 0.000 1.076 368 L CA 1.215 56.005 54.840 -0.083 0.000 0.749 368 L CB -1.115 40.970 42.059 0.043 0.000 0.893 368 L HN 0.343 nan 8.230 nan 0.000 0.432 369 A N 0.352 123.133 122.820 -0.064 0.000 1.883 369 A HA -0.283 4.039 4.320 0.002 0.000 0.217 369 A C 2.422 179.942 177.584 -0.107 0.000 1.186 369 A CA 2.187 54.188 52.037 -0.060 0.000 0.624 369 A CB -0.520 18.468 19.000 -0.020 0.000 0.822 369 A HN 0.391 nan 8.150 nan 0.000 0.444 370 K N -0.217 120.095 120.400 -0.148 0.000 2.009 370 K HA -0.131 4.190 4.320 0.002 0.000 0.210 370 K C 1.825 178.292 176.600 -0.223 0.000 1.049 370 K CA 1.887 58.069 56.287 -0.174 0.000 0.929 370 K CB -0.420 31.963 32.500 -0.196 0.000 0.714 370 K HN 0.203 nan 8.250 nan 0.000 0.440 371 V N 1.139 120.843 119.914 -0.351 0.000 2.282 371 V HA -0.265 3.856 4.120 0.002 0.000 0.249 371 V C 2.435 178.424 176.094 -0.175 0.000 1.057 371 V CA 1.832 63.957 62.300 -0.293 0.000 1.032 371 V CB -0.353 31.270 31.823 -0.333 0.000 0.645 371 V HN 0.221 nan 8.190 nan 0.000 0.447 372 V N -0.047 119.776 119.914 -0.152 0.000 2.407 372 V HA -0.291 3.830 4.120 0.002 0.000 0.248 372 V C 2.436 178.461 176.094 -0.115 0.000 1.055 372 V CA 2.370 64.596 62.300 -0.124 0.000 1.049 372 V CB -0.696 31.066 31.823 -0.101 0.000 0.662 372 V HN 0.605 nan 8.190 nan 0.000 0.455 373 K N 0.019 120.356 120.400 -0.104 0.000 2.057 373 K HA -0.212 4.109 4.320 0.002 0.000 0.206 373 K C 1.705 178.256 176.600 -0.082 0.000 1.050 373 K CA 1.900 58.137 56.287 -0.084 0.000 0.935 373 K CB -0.177 32.281 32.500 -0.071 0.000 0.715 373 K HN 0.450 nan 8.250 nan 0.000 0.439 374 D N 0.267 120.613 120.400 -0.090 0.000 2.234 374 D HA -0.068 4.573 4.640 0.002 0.000 0.205 374 D C 1.006 177.260 176.300 -0.075 0.000 0.962 374 D CA 0.801 54.756 54.000 -0.075 0.000 0.855 374 D CB 0.036 40.792 40.800 -0.073 0.000 0.951 374 D HN 0.312 nan 8.370 nan 0.000 0.500 375 N N -0.674 117.969 118.700 -0.095 0.000 2.171 375 N HA 0.104 4.845 4.740 0.002 0.000 0.212 375 N C 1.306 176.733 175.510 -0.139 0.000 1.184 375 N CA 0.622 53.612 53.050 -0.100 0.000 0.888 375 N CB 1.991 40.421 38.487 -0.095 0.000 1.038 375 N HN 0.154 nan 8.380 nan 0.000 0.517 376 G N 1.771 110.484 108.800 -0.145 0.000 2.189 376 G HA2 -0.287 3.675 3.960 0.002 0.000 0.267 376 G HA3 -0.287 3.675 3.960 0.002 0.000 0.267 376 G C 0.165 174.893 174.900 -0.287 0.000 0.975 376 G CA 1.326 46.315 45.100 -0.185 0.000 0.644 376 G HN 0.454 nan 8.290 nan 0.000 0.537 377 M N -1.782 117.658 119.600 -0.268 0.000 3.493 377 M HA 0.521 5.002 4.480 0.002 0.000 0.300 377 M C -2.004 174.197 176.300 -0.165 0.000 1.288 377 M CA -1.019 54.092 55.300 -0.315 0.000 0.867 377 M CB 0.341 32.519 32.600 -0.705 0.000 1.735 377 M HN 0.153 nan 8.290 nan 0.000 0.518 378 I N 4.026 124.544 120.570 -0.086 0.000 2.297 378 I HA 0.414 4.586 4.170 0.002 0.000 0.291 378 I C -2.138 173.978 176.117 -0.001 0.000 1.033 378 I CA -1.404 59.876 61.300 -0.032 0.000 1.253 378 I CB 0.708 38.712 38.000 0.007 0.000 1.396 378 I HN 0.412 nan 8.210 nan 0.000 0.476 379 P HA 0.133 nan 4.420 nan 0.000 0.277 379 P C 0.590 177.902 177.300 0.020 0.000 1.240 379 P CA -0.371 62.734 63.100 0.009 0.000 0.798 379 P CB 1.290 32.985 31.700 -0.008 0.000 0.979 380 Q N 2.659 122.495 119.800 0.061 0.000 2.084 380 Q HA -0.237 4.105 4.340 0.002 0.000 0.215 380 Q C 0.272 176.234 176.000 -0.063 0.000 1.020 380 Q CA 2.232 58.090 55.803 0.091 0.000 0.887 380 Q CB -0.063 28.790 28.738 0.191 0.000 0.975 380 Q HN 0.772 nan 8.270 nan 0.000 0.413 381 N N -3.034 115.534 118.700 -0.219 0.000 2.927 381 N HA 0.437 5.178 4.740 0.002 0.000 0.248 381 N C -1.491 173.798 175.510 -0.368 0.000 1.443 381 N CA -0.335 52.382 53.050 -0.555 0.000 0.870 381 N CB 1.877 39.454 38.487 -1.517 0.000 1.444 381 N HN 0.118 nan 8.380 nan 0.000 0.519 382 T N -4.031 110.295 114.554 -0.380 0.000 2.821 382 T HA 0.440 4.792 4.350 0.002 0.000 0.306 382 T C -1.362 173.215 174.700 -0.204 0.000 1.313 382 T CA -0.836 61.157 62.100 -0.179 0.000 1.012 382 T CB 0.841 69.709 68.868 -0.000 0.000 1.298 382 T HN 0.543 nan 8.240 nan 0.000 0.502 383 W N 0.961 122.219 121.300 -0.071 0.000 2.049 383 W HA 0.389 5.051 4.660 0.003 0.000 0.356 383 W C 2.275 178.792 176.519 -0.003 0.000 1.323 383 W CA -0.623 56.688 57.345 -0.056 0.000 1.336 383 W CB 0.291 29.749 29.460 -0.003 0.000 1.176 383 W HN 0.803 nan 8.180 nan 0.000 0.623 384 I N -0.879 119.835 120.570 0.240 0.000 2.567 384 I HA -0.255 3.916 4.170 0.002 0.000 0.257 384 I C 1.900 178.155 176.117 0.230 0.000 1.184 384 I CA 1.839 63.213 61.300 0.123 0.000 1.451 384 I CB -0.973 37.017 38.000 -0.018 0.000 1.089 384 I HN 0.393 nan 8.210 nan 0.000 0.441 385 S N 1.019 116.847 115.700 0.214 0.000 2.474 385 S HA 0.132 4.604 4.470 0.002 0.000 0.235 385 S C 1.832 176.527 174.600 0.158 0.000 0.997 385 S CA 0.742 59.034 58.200 0.153 0.000 0.949 385 S CB -0.341 62.905 63.200 0.077 0.000 0.766 385 S HN 0.889 nan 8.310 nan 0.000 0.517 386 G N 0.877 109.798 108.800 0.202 0.000 2.195 386 G HA2 -0.260 3.702 3.960 0.002 0.000 0.224 386 G HA3 -0.260 3.702 3.960 0.002 0.000 0.224 386 G C -0.023 174.922 174.900 0.075 0.000 0.990 386 G CA 0.065 45.216 45.100 0.086 0.000 0.639 386 G HN 0.743 nan 8.290 nan 0.000 0.514 387 K N 2.448 122.933 120.400 0.141 0.000 2.379 387 K HA 0.383 4.704 4.320 0.002 0.000 0.284 387 K C -1.902 174.823 176.600 0.210 0.000 1.044 387 K CA -1.409 54.967 56.287 0.147 0.000 0.974 387 K CB 0.838 33.420 32.500 0.137 0.000 0.962 387 K HN 0.133 nan 8.250 nan 0.000 0.474 388 P HA -0.093 nan 4.420 nan 0.000 0.268 388 P C -0.759 176.610 177.300 0.115 0.000 1.205 388 P CA 0.218 63.362 63.100 0.074 0.000 0.771 388 P CB 0.543 32.268 31.700 0.042 0.000 0.858 389 Y N 3.366 123.546 120.300 -0.200 0.000 2.265 389 Y HA 0.176 4.728 4.550 0.002 0.000 0.290 389 Y C 0.707 176.452 175.900 -0.258 0.000 1.137 389 Y CA 0.828 58.692 58.100 -0.393 0.000 1.147 389 Y CB 0.184 38.065 38.460 -0.966 0.000 1.104 389 Y HN 0.274 nan 8.280 nan 0.000 0.514 390 W N -0.201 121.123 121.300 0.041 0.000 2.578 390 W HA 0.381 5.042 4.660 0.003 0.000 0.364 390 W C 0.513 177.028 176.519 -0.007 0.000 1.144 390 W CA -0.585 56.764 57.345 0.006 0.000 1.242 390 W CB 0.678 30.177 29.460 0.065 0.000 1.382 390 W HN -0.176 nan 8.180 nan 0.000 0.625 391 T N -0.046 114.665 114.554 0.263 0.000 3.288 391 T HA 0.296 4.647 4.350 0.002 0.000 0.293 391 T C 0.320 175.087 174.700 0.111 0.000 1.008 391 T CA -0.101 62.085 62.100 0.143 0.000 0.929 391 T CB -0.670 68.258 68.868 0.101 0.000 1.152 391 T HN 0.462 nan 8.240 nan 0.000 0.517 392 G N 1.601 110.472 108.800 0.118 0.000 2.594 392 G HA2 0.436 4.397 3.960 0.002 0.000 0.243 392 G HA3 0.436 4.397 3.960 0.002 0.000 0.243 392 G C -0.056 174.894 174.900 0.083 0.000 1.229 392 G CA -0.412 44.733 45.100 0.075 0.000 0.843 392 G HN 0.459 nan 8.290 nan 0.000 0.578 393 I N 1.210 121.815 120.570 0.059 0.000 2.310 393 I HA 0.187 4.359 4.170 0.002 0.000 0.287 393 I C 0.167 176.301 176.117 0.029 0.000 1.073 393 I CA -0.104 61.237 61.300 0.068 0.000 1.216 393 I CB 0.583 38.615 38.000 0.053 0.000 1.415 393 I HN 0.442 nan 8.210 nan 0.000 0.480 394 Q N 5.142 124.973 119.800 0.051 0.000 2.398 394 Q HA 0.299 4.641 4.340 0.002 0.000 0.251 394 Q C 0.921 176.921 176.000 0.001 0.000 0.999 394 Q CA -0.569 55.245 55.803 0.018 0.000 0.874 394 Q CB 2.423 31.193 28.738 0.054 0.000 1.215 394 Q HN 0.497 nan 8.270 nan 0.000 0.470 395 L N 2.693 123.885 121.223 -0.052 0.000 2.127 395 L HA -0.213 4.128 4.340 0.002 0.000 0.211 395 L C 1.904 178.741 176.870 -0.054 0.000 1.089 395 L CA 1.831 56.633 54.840 -0.064 0.000 0.757 395 L CB -0.787 41.201 42.059 -0.119 0.000 0.899 395 L HN 0.802 nan 8.230 nan 0.000 0.434 396 D N -0.308 120.049 120.400 -0.073 0.000 2.178 396 D HA -0.242 4.399 4.640 0.002 0.000 0.201 396 D C 1.517 177.750 176.300 -0.112 0.000 0.980 396 D CA 1.020 54.959 54.000 -0.101 0.000 0.842 396 D CB -0.319 40.414 40.800 -0.113 0.000 0.948 396 D HN 0.423 nan 8.370 nan 0.000 0.472 397 E N -0.202 119.966 120.200 -0.054 0.000 2.347 397 E HA -0.087 4.265 4.350 0.002 0.000 0.196 397 E C 1.942 178.529 176.600 -0.022 0.000 1.008 397 E CA 0.426 56.805 56.400 -0.035 0.000 0.852 397 E CB 0.147 29.870 29.700 0.037 0.000 0.783 397 E HN 0.349 nan 8.360 nan 0.000 0.505 398 Q N -0.402 119.399 119.800 0.003 0.000 2.302 398 Q HA 0.062 4.404 4.340 0.002 0.000 0.202 398 Q C 1.880 177.870 176.000 -0.016 0.000 0.936 398 Q CA 0.861 56.690 55.803 0.044 0.000 0.886 398 Q CB 0.118 28.936 28.738 0.133 0.000 0.986 398 Q HN 0.204 nan 8.270 nan 0.000 0.487 399 A N 1.130 123.910 122.820 -0.067 0.000 1.943 399 A HA -0.088 4.233 4.320 0.002 0.000 0.213 399 A C 1.627 179.097 177.584 -0.189 0.000 1.181 399 A CA 0.951 52.925 52.037 -0.104 0.000 0.653 399 A CB -0.116 18.827 19.000 -0.094 0.000 0.833 399 A HN 0.111 nan 8.150 nan 0.000 0.451 400 D N 0.309 120.517 120.400 -0.319 0.000 2.133 400 D HA -0.131 4.511 4.640 0.002 0.000 0.195 400 D C -0.549 175.562 176.300 -0.315 0.000 0.997 400 D CA 1.839 55.467 54.000 -0.621 0.000 0.840 400 D CB -1.321 38.958 40.800 -0.869 0.000 0.947 400 D HN 0.376 nan 8.370 nan 0.000 0.452 401 P HA -0.051 nan 4.420 nan 0.000 0.220 401 P C 1.863 179.180 177.300 0.029 0.000 1.148 401 P CA 0.777 63.875 63.100 -0.002 0.000 0.803 401 P CB 0.039 31.742 31.700 0.005 0.000 0.782 402 I N -0.574 119.994 120.570 -0.002 0.000 2.286 402 I HA -0.175 3.996 4.170 0.002 0.000 0.245 402 I C 2.615 178.793 176.117 0.102 0.000 1.104 402 I CA 1.143 62.470 61.300 0.045 0.000 1.397 402 I CB -0.565 37.434 38.000 -0.001 0.000 1.072 402 I HN -0.187 nan 8.210 nan 0.000 0.417 403 I N 0.391 120.992 120.570 0.052 0.000 2.226 403 I HA -0.297 3.875 4.170 0.002 0.000 0.245 403 I C 2.548 178.820 176.117 0.258 0.000 1.100 403 I CA 1.244 62.627 61.300 0.138 0.000 1.374 403 I CB -0.295 37.736 38.000 0.052 0.000 1.057 403 I HN 0.248 nan 8.210 nan 0.000 0.413 404 L N 0.265 121.633 121.223 0.241 0.000 2.093 404 L HA -0.154 4.188 4.340 0.002 0.000 0.208 404 L C 2.554 179.516 176.870 0.154 0.000 1.085 404 L CA 1.774 56.756 54.840 0.236 0.000 0.755 404 L CB -0.541 41.668 42.059 0.250 0.000 0.904 404 L HN 0.052 nan 8.230 nan 0.000 0.435 405 S N -1.379 114.413 115.700 0.153 0.000 2.368 405 S HA -0.257 4.214 4.470 0.002 0.000 0.225 405 S C 1.811 176.498 174.600 0.146 0.000 1.030 405 S CA 1.634 59.912 58.200 0.131 0.000 0.999 405 S CB -0.669 62.626 63.200 0.159 0.000 0.844 405 S HN 0.688 nan 8.310 nan 0.000 0.459 406 Y N 2.581 122.957 120.300 0.128 0.000 2.070 406 Y HA -0.188 4.364 4.550 0.002 0.000 0.280 406 Y C 2.395 178.338 175.900 0.073 0.000 1.148 406 Y CA 1.633 59.825 58.100 0.155 0.000 1.125 406 Y CB -0.289 38.234 38.460 0.104 0.000 0.975 406 Y HN 0.041 nan 8.280 nan 0.000 0.492 407 R N 0.205 120.620 120.500 -0.142 0.000 2.117 407 R HA -0.172 4.169 4.340 0.002 0.000 0.243 407 R C 2.025 178.202 176.300 -0.206 0.000 1.143 407 R CA 1.797 57.756 56.100 -0.236 0.000 0.968 407 R CB -0.546 29.761 30.300 0.012 0.000 0.863 407 R HN 0.428 nan 8.270 nan 0.000 0.444 408 L N 0.634 121.783 121.223 -0.124 0.000 2.591 408 L HA 0.058 4.400 4.340 0.002 0.000 0.228 408 L C 0.254 176.992 176.870 -0.221 0.000 1.133 408 L CA 0.212 54.980 54.840 -0.119 0.000 0.880 408 L CB -0.036 41.994 42.059 -0.048 0.000 1.033 408 L HN 0.126 nan 8.230 nan 0.000 0.450 409 K N 0.317 120.514 120.400 -0.339 0.000 3.016 409 K HA -0.190 4.131 4.320 0.002 0.000 0.262 409 K C -0.100 175.964 176.600 -0.893 0.000 1.043 409 K CA 0.334 56.195 56.287 -0.710 0.000 0.761 409 K CB -0.973 31.221 32.500 -0.510 0.000 1.230 409 K HN 0.188 nan 8.250 nan 0.000 0.485 410 R N 1.064 121.306 120.500 -0.430 0.000 4.138 410 R HA 0.040 4.382 4.340 0.002 0.000 0.206 410 R C 0.206 176.456 176.300 -0.082 0.000 1.667 410 R CA 0.080 56.045 56.100 -0.225 0.000 1.481 410 R CB -0.276 29.985 30.300 -0.065 0.000 1.388 410 R HN 0.266 nan 8.270 nan 0.000 0.776 411 Y N 0.286 120.645 120.300 0.098 0.000 2.639 411 Y HA -0.144 4.408 4.550 0.002 0.000 0.297 411 Y C 1.842 177.807 175.900 0.110 0.000 1.151 411 Y CA 0.300 58.467 58.100 0.112 0.000 1.335 411 Y CB -0.321 38.178 38.460 0.064 0.000 0.994 411 Y HN 0.378 nan 8.280 nan 0.000 0.548 412 D N -0.114 120.386 120.400 0.166 0.000 2.347 412 D HA -0.103 4.539 4.640 0.002 0.000 0.215 412 D C 1.166 177.545 176.300 0.132 0.000 0.976 412 D CA 0.671 54.749 54.000 0.130 0.000 0.884 412 D CB -0.238 40.604 40.800 0.069 0.000 0.915 412 D HN 0.391 nan 8.370 nan 0.000 0.526 413 L N 0.049 121.357 121.223 0.143 0.000 2.653 413 L HA 0.101 4.442 4.340 0.002 0.000 0.231 413 L C 1.725 178.682 176.870 0.146 0.000 1.153 413 L CA -0.438 54.470 54.840 0.114 0.000 0.933 413 L CB -0.335 41.773 42.059 0.081 0.000 1.175 413 L HN -0.087 nan 8.230 nan 0.000 0.473 414 Y N 1.438 121.793 120.300 0.092 0.000 2.097 414 Y HA -0.307 4.245 4.550 0.002 0.000 0.282 414 Y C 2.190 178.132 175.900 0.069 0.000 1.152 414 Y CA 1.889 60.045 58.100 0.094 0.000 1.136 414 Y CB 0.081 38.598 38.460 0.095 0.000 0.975 414 Y HN 0.277 nan 8.280 nan 0.000 0.498 415 D N -0.992 119.425 120.400 0.029 0.000 2.178 415 D HA -0.131 4.511 4.640 0.002 0.000 0.202 415 D C 2.247 178.499 176.300 -0.080 0.000 0.974 415 D CA 1.709 55.671 54.000 -0.062 0.000 0.841 415 D CB -0.258 40.572 40.800 0.050 0.000 0.953 415 D HN 0.511 nan 8.370 nan 0.000 0.478 416 S N -0.862 114.816 115.700 -0.038 0.000 2.492 416 S HA 0.059 4.531 4.470 0.002 0.000 0.218 416 S C 1.600 176.167 174.600 -0.054 0.000 1.016 416 S CA -0.109 58.066 58.200 -0.041 0.000 0.916 416 S CB 0.377 63.566 63.200 -0.017 0.000 0.791 416 S HN 0.105 nan 8.310 nan 0.000 0.513 417 L N 0.642 121.835 121.223 -0.050 0.000 2.862 417 L HA 0.474 4.816 4.340 0.002 0.000 0.169 417 L C 2.192 179.024 176.870 -0.063 0.000 1.164 417 L CA 0.731 55.545 54.840 -0.043 0.000 0.858 417 L CB -0.565 41.493 42.059 -0.001 0.000 1.329 417 L HN 0.082 nan 8.230 nan 0.000 0.514 418 V N 0.807 120.688 119.914 -0.055 0.000 2.233 418 V HA -0.323 3.798 4.120 0.002 0.000 0.247 418 V C 2.568 178.555 176.094 -0.178 0.000 1.050 418 V CA 2.435 64.697 62.300 -0.064 0.000 1.010 418 V CB -0.772 31.103 31.823 0.088 0.000 0.637 418 V HN 0.493 nan 8.190 nan 0.000 0.444 419 K N 0.469 120.632 120.400 -0.396 0.000 2.009 419 K HA -0.161 4.160 4.320 0.002 0.000 0.210 419 K C 0.045 176.575 176.600 -0.116 0.000 1.049 419 K CA 1.988 58.081 56.287 -0.323 0.000 0.929 419 K CB -1.186 30.966 32.500 -0.581 0.000 0.714 419 K HN 0.448 nan 8.250 nan 0.000 0.440 420 P HA -0.179 nan 4.420 nan 0.000 0.215 420 P C 1.494 178.789 177.300 -0.008 0.000 1.153 420 P CA 1.419 64.486 63.100 -0.055 0.000 0.853 420 P CB -0.056 31.596 31.700 -0.081 0.000 0.788 421 L N -0.685 120.523 121.223 -0.026 0.000 2.056 421 L HA -0.095 4.246 4.340 0.002 0.000 0.207 421 L C 2.844 179.733 176.870 0.032 0.000 1.078 421 L CA 1.501 56.362 54.840 0.035 0.000 0.749 421 L CB -1.205 40.853 42.059 -0.002 0.000 0.901 421 L HN -0.058 nan 8.230 nan 0.000 0.433 422 A N -0.007 122.749 122.820 -0.108 0.000 1.877 422 A HA -0.228 4.093 4.320 0.002 0.000 0.216 422 A C 1.928 179.441 177.584 -0.119 0.000 1.186 422 A CA 1.937 53.801 52.037 -0.289 0.000 0.620 422 A CB -0.522 17.993 19.000 -0.809 0.000 0.822 422 A HN 0.348 nan 8.150 nan 0.000 0.443 423 D N -1.081 119.342 120.400 0.039 0.000 2.117 423 D HA -0.144 4.497 4.640 0.002 0.000 0.197 423 D C 1.668 178.073 176.300 0.175 0.000 0.987 423 D CA 1.169 55.259 54.000 0.150 0.000 0.829 423 D CB -0.444 40.446 40.800 0.149 0.000 0.961 423 D HN 0.567 nan 8.370 nan 0.000 0.460 424 F N 1.199 121.151 119.950 0.003 0.000 2.075 424 F HA -0.177 4.352 4.527 0.003 0.000 0.297 424 F C 2.315 178.139 175.800 0.040 0.000 1.113 424 F CA 0.999 59.007 58.000 0.014 0.000 1.218 424 F CB -0.033 38.963 39.000 -0.008 0.000 0.984 424 F HN -0.155 nan 8.300 nan 0.000 0.472 425 I N 0.690 121.261 120.570 0.003 0.000 2.151 425 I HA -0.375 3.796 4.170 0.002 0.000 0.243 425 I C 2.273 178.460 176.117 0.116 0.000 1.080 425 I CA 1.681 62.960 61.300 -0.035 0.000 1.339 425 I CB -0.546 37.481 38.000 0.044 0.000 1.039 425 I HN 0.205 nan 8.210 nan 0.000 0.409 426 I N 0.357 120.986 120.570 0.098 0.000 2.454 426 I HA -0.269 3.902 4.170 0.002 0.000 0.254 426 I C 2.474 178.687 176.117 0.160 0.000 1.156 426 I CA 1.228 62.613 61.300 0.142 0.000 1.433 426 I CB -0.365 37.664 38.000 0.048 0.000 1.082 426 I HN 0.210 nan 8.210 nan 0.000 0.432 427 K N 1.154 121.596 120.400 0.071 0.000 2.217 427 K HA -0.061 4.260 4.320 0.002 0.000 0.202 427 K C 1.817 178.404 176.600 -0.022 0.000 1.051 427 K CA 1.077 57.389 56.287 0.041 0.000 0.952 427 K CB 0.207 32.744 32.500 0.062 0.000 0.736 427 K HN 0.490 nan 8.250 nan 0.000 0.453 428 I N -4.739 115.757 120.570 -0.124 0.000 4.456 428 I HA 0.317 4.489 4.170 0.002 0.000 0.329 428 I C 0.948 176.961 176.117 -0.173 0.000 1.313 428 I CA -0.552 60.639 61.300 -0.181 0.000 1.205 428 I CB 0.271 38.056 38.000 -0.359 0.000 1.179 428 I HN -0.155 nan 8.210 nan 0.000 0.419 429 G N 2.803 111.542 108.800 -0.101 0.000 2.684 429 G HA2 0.291 4.253 3.960 0.002 0.000 0.255 429 G HA3 0.291 4.253 3.960 0.002 0.000 0.255 429 G C -1.526 173.041 174.900 -0.555 0.000 1.219 429 G CA -0.497 44.385 45.100 -0.363 0.000 0.901 429 G HN 0.160 nan 8.290 nan 0.000 0.548 430 P HA 0.080 nan 4.420 nan 0.000 0.235 430 P C 0.517 177.462 177.300 -0.592 0.000 1.177 430 P CA 0.274 62.622 63.100 -1.253 0.000 0.785 430 P CB 0.332 31.149 31.700 -1.472 0.000 0.885 431 K N 0.538 120.626 120.400 -0.520 0.000 2.414 431 K HA 0.198 4.519 4.320 0.002 0.000 0.272 431 K C -0.009 176.324 176.600 -0.444 0.000 0.993 431 K CA 0.204 56.081 56.287 -0.683 0.000 0.964 431 K CB 0.270 32.270 32.500 -0.834 0.000 0.925 431 K HN -0.145 nan 8.250 nan 0.000 0.487 432 T N 1.573 115.895 114.554 -0.387 0.000 2.924 432 T HA 0.423 4.774 4.350 0.002 0.000 0.291 432 T C 1.085 175.664 174.700 -0.201 0.000 1.045 432 T CA -0.271 61.676 62.100 -0.254 0.000 1.015 432 T CB 1.441 70.188 68.868 -0.202 0.000 1.103 432 T HN 0.671 nan 8.240 nan 0.000 0.496 433 G N 1.429 110.149 108.800 -0.134 0.000 2.402 433 G HA2 0.119 4.081 3.960 0.002 0.000 0.216 433 G HA3 0.119 4.081 3.960 0.002 0.000 0.216 433 G C 0.318 175.172 174.900 -0.076 0.000 1.162 433 G CA 0.972 46.019 45.100 -0.088 0.000 0.777 433 G HN 0.859 nan 8.290 nan 0.000 0.539 434 Q N -0.220 119.538 119.800 -0.070 0.000 2.472 434 Q HA 0.465 4.806 4.340 0.002 0.000 0.281 434 Q C -1.491 174.466 176.000 -0.071 0.000 0.997 434 Q CA -1.067 54.701 55.803 -0.057 0.000 0.828 434 Q CB 1.369 30.097 28.738 -0.018 0.000 1.443 434 Q HN 0.199 nan 8.270 nan 0.000 0.390 435 E N 1.472 121.619 120.200 -0.088 0.000 2.869 435 E HA 0.165 4.517 4.350 0.002 0.000 0.258 435 E C 0.868 177.392 176.600 -0.126 0.000 1.354 435 E CA -0.402 55.915 56.400 -0.138 0.000 1.065 435 E CB 0.305 29.890 29.700 -0.191 0.000 1.215 435 E HN 0.736 nan 8.360 nan 0.000 0.659 436 R N -0.544 119.800 120.500 -0.260 0.000 2.241 436 R HA -0.047 4.294 4.340 0.002 0.000 0.224 436 R C 1.132 177.443 176.300 0.017 0.000 1.101 436 R CA 1.286 57.260 56.100 -0.211 0.000 0.995 436 R CB -0.445 29.640 30.300 -0.359 0.000 0.870 436 R HN 0.639 nan 8.270 nan 0.000 0.463 437 W N 1.649 122.964 121.300 0.026 0.000 3.180 437 W HA 0.141 4.802 4.660 0.002 0.000 0.254 437 W C -0.222 176.292 176.519 -0.010 0.000 1.318 437 W CA -0.534 56.814 57.345 0.005 0.000 1.608 437 W CB 0.266 29.733 29.460 0.012 0.000 1.124 437 W HN 0.185 nan 8.180 nan 0.000 0.694 438 E N -0.044 120.275 120.200 0.198 0.000 2.637 438 E HA -0.270 4.081 4.350 0.002 0.000 0.265 438 E C 0.196 176.818 176.600 0.038 0.000 1.073 438 E CA 1.010 57.475 56.400 0.109 0.000 0.778 438 E CB -1.761 28.023 29.700 0.139 0.000 1.362 438 E HN 0.615 nan 8.360 nan 0.000 0.413 439 E N -0.363 119.866 120.200 0.047 0.000 2.467 439 E HA 0.368 4.719 4.350 0.002 0.000 0.213 439 E C 0.677 177.273 176.600 -0.006 0.000 0.823 439 E CA 0.067 56.476 56.400 0.015 0.000 1.233 439 E CB 1.299 31.029 29.700 0.049 0.000 1.233 439 E HN 0.283 nan 8.360 nan 0.000 0.585 440 I N 0.505 121.063 120.570 -0.021 0.000 2.827 440 I HA 0.522 4.694 4.170 0.002 0.000 0.298 440 I C -0.933 175.147 176.117 -0.061 0.000 1.235 440 I CA -0.945 60.335 61.300 -0.033 0.000 1.021 440 I CB 1.944 39.923 38.000 -0.034 0.000 1.259 440 I HN 0.043 nan 8.210 nan 0.000 0.427 441 G N 2.901 111.661 108.800 -0.067 0.000 2.491 441 G HA2 0.800 4.762 3.960 0.002 0.000 0.327 441 G HA3 0.800 4.762 3.960 0.002 0.000 0.327 441 G C -0.284 174.514 174.900 -0.169 0.000 1.189 441 G CA -0.118 44.909 45.100 -0.121 0.000 0.956 441 G HN 1.283 nan 8.290 nan 0.000 0.491 442 G N -1.533 107.093 108.800 -0.290 0.000 2.270 442 G HA2 0.155 4.117 3.960 0.002 0.000 0.268 442 G HA3 0.155 4.117 3.960 0.002 0.000 0.268 442 G C -1.536 173.044 174.900 -0.535 0.000 1.312 442 G CA -0.911 43.936 45.100 -0.421 0.000 1.050 442 G HN 0.711 nan 8.290 nan 0.000 0.474 443 Y N 1.089 121.282 120.300 -0.177 0.000 2.404 443 Y HA 0.640 5.192 4.550 0.002 0.000 0.344 443 Y C 0.855 176.676 175.900 -0.132 0.000 0.970 443 Y CA 0.116 58.113 58.100 -0.173 0.000 1.180 443 Y CB 1.834 40.191 38.460 -0.172 0.000 1.138 443 Y HN 0.562 nan 8.280 nan 0.000 0.510 444 S N 5.597 121.271 115.700 -0.043 0.000 2.449 444 S HA 0.350 4.822 4.470 0.002 0.000 0.310 444 S C -1.665 172.904 174.600 -0.051 0.000 1.096 444 S CA -1.987 56.180 58.200 -0.056 0.000 1.095 444 S CB 1.249 64.380 63.200 -0.116 0.000 1.007 444 S HN 0.407 nan 8.310 nan 0.000 0.474 445 P HA -0.080 nan 4.420 nan 0.000 0.216 445 P C 1.350 178.586 177.300 -0.107 0.000 1.150 445 P CA 1.466 64.517 63.100 -0.081 0.000 0.837 445 P CB -0.073 31.551 31.700 -0.126 0.000 0.786 446 A N -0.075 122.681 122.820 -0.106 0.000 1.877 446 A HA -0.143 4.178 4.320 0.002 0.000 0.216 446 A C 2.388 179.902 177.584 -0.116 0.000 1.186 446 A CA 2.517 54.480 52.037 -0.124 0.000 0.620 446 A CB -1.902 16.995 19.000 -0.172 0.000 0.822 446 A HN 0.187 nan 8.150 nan 0.000 0.443 447 T N 0.061 114.540 114.554 -0.126 0.000 2.777 447 T HA -0.120 4.231 4.350 0.002 0.000 0.266 447 T C 1.948 176.591 174.700 -0.094 0.000 1.040 447 T CA 1.727 63.756 62.100 -0.118 0.000 1.141 447 T CB -0.307 68.478 68.868 -0.138 0.000 0.868 447 T HN 0.419 nan 8.240 nan 0.000 0.444 448 M N 0.841 120.388 119.600 -0.089 0.000 2.213 448 M HA -0.034 4.447 4.480 0.002 0.000 0.263 448 M C 2.789 179.070 176.300 -0.032 0.000 1.062 448 M CA 1.297 56.561 55.300 -0.060 0.000 1.105 448 M CB -0.451 32.112 32.600 -0.062 0.000 1.385 448 M HN 0.312 nan 8.290 nan 0.000 0.417 449 A N 0.549 123.330 122.820 -0.064 0.000 1.877 449 A HA -0.095 4.226 4.320 0.002 0.000 0.216 449 A C 2.370 179.931 177.584 -0.039 0.000 1.186 449 A CA 2.014 54.013 52.037 -0.064 0.000 0.620 449 A CB -0.934 18.022 19.000 -0.074 0.000 0.822 449 A HN 0.496 nan 8.150 nan 0.000 0.443 450 A N -0.304 122.487 122.820 -0.049 0.000 1.933 450 A HA -0.159 4.162 4.320 0.002 0.000 0.218 450 A C 1.917 179.482 177.584 -0.032 0.000 1.175 450 A CA 1.633 53.632 52.037 -0.062 0.000 0.628 450 A CB -0.507 18.430 19.000 -0.104 0.000 0.814 450 A HN 0.652 nan 8.150 nan 0.000 0.444 451 E N -0.432 119.776 120.200 0.014 0.000 2.072 451 E HA -0.109 4.243 4.350 0.002 0.000 0.191 451 E C 1.969 178.649 176.600 0.132 0.000 0.985 451 E CA 1.244 57.713 56.400 0.115 0.000 0.801 451 E CB -0.234 29.608 29.700 0.237 0.000 0.750 451 E HN 0.398 nan 8.360 nan 0.000 0.452 452 V N 1.299 121.276 119.914 0.106 0.000 2.358 452 V HA -0.233 3.888 4.120 0.002 0.000 0.246 452 V C 2.283 178.404 176.094 0.044 0.000 1.047 452 V CA 1.802 64.131 62.300 0.049 0.000 1.035 452 V CB -0.576 31.198 31.823 -0.083 0.000 0.658 452 V HN 0.306 nan 8.190 nan 0.000 0.452 453 A N 0.421 123.258 122.820 0.029 0.000 1.930 453 A HA -0.035 4.286 4.320 0.002 0.000 0.217 453 A C 2.398 179.981 177.584 -0.002 0.000 1.175 453 A CA 1.798 53.858 52.037 0.039 0.000 0.627 453 A CB -1.126 17.892 19.000 0.030 0.000 0.815 453 A HN 0.511 nan 8.150 nan 0.000 0.443 454 G N -0.156 108.630 108.800 -0.023 0.000 2.421 454 G HA2 -0.154 3.807 3.960 0.002 0.000 0.216 454 G HA3 -0.154 3.807 3.960 0.002 0.000 0.216 454 G C 1.535 176.395 174.900 -0.066 0.000 1.171 454 G CA 0.993 46.064 45.100 -0.048 0.000 0.775 454 G HN 0.415 nan 8.290 nan 0.000 0.543 455 L N 0.463 121.641 121.223 -0.075 0.000 2.141 455 L HA -0.063 4.278 4.340 0.002 0.000 0.209 455 L C 3.136 179.983 176.870 -0.038 0.000 1.094 455 L CA 1.316 56.075 54.840 -0.136 0.000 0.763 455 L CB -0.580 41.371 42.059 -0.180 0.000 0.908 455 L HN 0.195 nan 8.230 nan 0.000 0.437 456 T N -1.157 113.401 114.554 0.008 0.000 2.737 456 T HA -0.177 4.174 4.350 0.002 0.000 0.265 456 T C 2.021 176.713 174.700 -0.013 0.000 1.038 456 T CA 1.448 63.564 62.100 0.028 0.000 1.144 456 T CB -0.297 68.608 68.868 0.061 0.000 0.866 456 T HN 0.395 nan 8.240 nan 0.000 0.434 457 C N 1.696 120.956 119.300 -0.067 0.000 2.425 457 C HA 0.089 4.550 4.460 0.002 0.000 0.277 457 C C 3.197 178.257 174.990 0.116 0.000 1.280 457 C CA 0.292 59.259 59.018 -0.085 0.000 1.744 457 C CB -1.429 26.281 27.740 -0.050 0.000 1.989 457 C HN 0.650 nan 8.230 nan 0.000 0.491 458 A N 0.603 123.470 122.820 0.079 0.000 1.902 458 A HA 0.035 4.356 4.320 0.002 0.000 0.217 458 A C 2.367 180.157 177.584 0.344 0.000 1.181 458 A CA 2.101 54.221 52.037 0.138 0.000 0.623 458 A CB -0.844 18.019 19.000 -0.228 0.000 0.818 458 A HN 0.573 nan 8.150 nan 0.000 0.443 459 A N -1.574 121.426 122.820 0.301 0.000 1.902 459 A HA -0.107 4.214 4.320 0.002 0.000 0.217 459 A C 2.142 179.804 177.584 0.130 0.000 1.181 459 A CA 1.613 53.809 52.037 0.263 0.000 0.623 459 A CB -0.842 18.264 19.000 0.177 0.000 0.818 459 A HN 0.716 nan 8.150 nan 0.000 0.443 460 Y N 0.572 120.879 120.300 0.012 0.000 2.128 460 Y HA -0.203 4.348 4.550 0.002 0.000 0.284 460 Y C 1.989 177.846 175.900 -0.072 0.000 1.154 460 Y CA 2.041 60.124 58.100 -0.030 0.000 1.149 460 Y CB -0.195 38.258 38.460 -0.011 0.000 0.976 460 Y HN 0.276 nan 8.280 nan 0.000 0.505 461 I N -0.161 120.541 120.570 0.219 0.000 2.394 461 I HA -0.251 3.921 4.170 0.002 0.000 0.251 461 I C 2.577 178.546 176.117 -0.247 0.000 1.136 461 I CA 0.941 62.306 61.300 0.107 0.000 1.425 461 I CB -0.633 37.621 38.000 0.423 0.000 1.079 461 I HN 0.323 nan 8.210 nan 0.000 0.425 462 A N 0.609 123.303 122.820 -0.210 0.000 1.930 462 A HA -0.182 4.140 4.320 0.002 0.000 0.217 462 A C 2.221 179.429 177.584 -0.627 0.000 1.175 462 A CA 1.391 53.085 52.037 -0.572 0.000 0.627 462 A CB -0.433 18.502 19.000 -0.108 0.000 0.815 462 A HN 0.400 nan 8.150 nan 0.000 0.443 463 E N -0.397 119.494 120.200 -0.514 0.000 2.072 463 E HA -0.187 4.165 4.350 0.002 0.000 0.191 463 E C 2.162 178.376 176.600 -0.644 0.000 0.985 463 E CA 1.084 57.099 56.400 -0.642 0.000 0.801 463 E CB -0.152 29.280 29.700 -0.447 0.000 0.750 463 E HN 0.531 nan 8.360 nan 0.000 0.452 464 Q N 0.408 119.826 119.800 -0.637 0.000 2.234 464 Q HA -0.100 4.242 4.340 0.002 0.000 0.206 464 Q C 1.169 176.911 176.000 -0.430 0.000 0.980 464 Q CA 0.869 56.315 55.803 -0.596 0.000 0.869 464 Q CB -0.175 28.030 28.738 -0.889 0.000 0.912 464 Q HN 0.288 nan 8.270 nan 0.000 0.436 465 N N 0.592 118.989 118.700 -0.506 0.000 2.276 465 N HA 0.035 4.777 4.740 0.002 0.000 0.212 465 N C -0.493 174.756 175.510 -0.434 0.000 1.127 465 N CA -0.033 52.760 53.050 -0.428 0.000 0.834 465 N CB 0.458 38.580 38.487 -0.609 0.000 1.014 465 N HN 0.173 nan 8.380 nan 0.000 0.491 466 K N 0.667 120.731 120.400 -0.561 0.000 3.016 466 K HA -0.170 4.151 4.320 0.002 0.000 0.262 466 K C -0.474 175.718 176.600 -0.680 0.000 1.043 466 K CA 0.521 56.379 56.287 -0.716 0.000 0.761 466 K CB -0.915 31.479 32.500 -0.176 0.000 1.230 466 K HN 0.160 nan 8.250 nan 0.000 0.485 467 D N 0.070 120.061 120.400 -0.681 0.000 2.973 467 D HA 0.101 4.743 4.640 0.002 0.000 0.263 467 D C 0.599 176.679 176.300 -0.366 0.000 1.266 467 D CA -0.425 53.352 54.000 -0.371 0.000 0.975 467 D CB -0.045 40.589 40.800 -0.276 0.000 1.032 467 D HN 0.189 nan 8.370 nan 0.000 0.510 468 Y N 0.473 120.693 120.300 -0.134 0.000 2.315 468 Y HA -0.147 4.405 4.550 0.002 0.000 0.288 468 Y C 2.241 178.067 175.900 -0.123 0.000 1.154 468 Y CA 0.899 58.925 58.100 -0.124 0.000 1.229 468 Y CB -0.071 38.328 38.460 -0.101 0.000 0.980 468 Y HN 0.274 nan 8.280 nan 0.000 0.540 469 E N -0.198 120.011 120.200 0.016 0.000 2.028 469 E HA -0.161 4.190 4.350 0.002 0.000 0.191 469 E C 2.352 178.856 176.600 -0.160 0.000 0.988 469 E CA 1.438 57.810 56.400 -0.047 0.000 0.799 469 E CB -0.205 29.474 29.700 -0.035 0.000 0.755 469 E HN 0.349 nan 8.360 nan 0.000 0.447 470 S N 0.738 116.291 115.700 -0.245 0.000 2.368 470 S HA -0.170 4.301 4.470 0.002 0.000 0.225 470 S C 2.116 176.308 174.600 -0.681 0.000 1.030 470 S CA 0.960 58.818 58.200 -0.570 0.000 0.999 470 S CB -0.239 62.671 63.200 -0.484 0.000 0.844 470 S HN 0.379 nan 8.310 nan 0.000 0.459 471 A N 1.414 124.040 122.820 -0.323 0.000 1.892 471 A HA -0.280 4.041 4.320 0.002 0.000 0.218 471 A C 2.126 179.663 177.584 -0.079 0.000 1.188 471 A CA 2.097 54.054 52.037 -0.134 0.000 0.631 471 A CB -0.889 18.041 19.000 -0.117 0.000 0.822 471 A HN 0.599 nan 8.150 nan 0.000 0.447 472 Q N -0.371 119.378 119.800 -0.086 0.000 2.050 472 Q HA -0.239 4.102 4.340 0.002 0.000 0.202 472 Q C 2.206 178.169 176.000 -0.061 0.000 0.980 472 Q CA 2.069 57.843 55.803 -0.048 0.000 0.840 472 Q CB -0.204 28.513 28.738 -0.036 0.000 0.898 472 Q HN 0.701 nan 8.270 nan 0.000 0.424 473 K N -0.496 119.829 120.400 -0.125 0.000 2.057 473 K HA -0.191 4.131 4.320 0.002 0.000 0.207 473 K C 1.867 178.471 176.600 0.006 0.000 1.049 473 K CA 1.550 57.776 56.287 -0.100 0.000 0.931 473 K CB -0.300 32.095 32.500 -0.174 0.000 0.714 473 K HN 0.408 nan 8.250 nan 0.000 0.440 474 Y N 0.364 120.626 120.300 -0.063 0.000 2.133 474 Y HA -0.205 4.347 4.550 0.002 0.000 0.287 474 Y C 2.824 178.656 175.900 -0.113 0.000 1.134 474 Y CA 0.274 58.320 58.100 -0.091 0.000 1.133 474 Y CB -0.006 38.436 38.460 -0.030 0.000 0.987 474 Y HN 0.171 nan 8.280 nan 0.000 0.502 475 Q N 0.719 120.582 119.800 0.105 0.000 2.124 475 Q HA -0.189 4.153 4.340 0.002 0.000 0.202 475 Q C 1.880 177.880 176.000 0.001 0.000 0.977 475 Q CA 1.390 57.219 55.803 0.044 0.000 0.850 475 Q CB -0.249 28.509 28.738 0.034 0.000 0.901 475 Q HN 0.643 nan 8.270 nan 0.000 0.429 476 E N 0.245 120.431 120.200 -0.022 0.000 2.077 476 E HA -0.207 4.144 4.350 0.002 0.000 0.193 476 E C 1.965 178.499 176.600 -0.111 0.000 0.989 476 E CA 1.091 57.465 56.400 -0.042 0.000 0.800 476 E CB 0.010 29.686 29.700 -0.039 0.000 0.746 476 E HN 0.019 nan 8.360 nan 0.000 0.452 477 K N 1.138 121.413 120.400 -0.208 0.000 2.057 477 K HA -0.106 4.215 4.320 0.002 0.000 0.207 477 K C 1.852 178.076 176.600 -0.626 0.000 1.049 477 K CA 1.392 57.372 56.287 -0.512 0.000 0.931 477 K CB -0.381 31.733 32.500 -0.643 0.000 0.714 477 K HN 0.102 nan 8.250 nan 0.000 0.440 478 A N 0.950 123.570 122.820 -0.334 0.000 1.902 478 A HA -0.179 4.143 4.320 0.002 0.000 0.217 478 A C 1.717 179.302 177.584 0.002 0.000 1.181 478 A CA 2.101 54.052 52.037 -0.143 0.000 0.623 478 A CB -0.732 18.277 19.000 0.016 0.000 0.818 478 A HN 0.419 nan 8.150 nan 0.000 0.443 479 D N -0.464 119.972 120.400 0.060 0.000 2.117 479 D HA -0.141 4.501 4.640 0.002 0.000 0.198 479 D C 1.827 178.171 176.300 0.074 0.000 0.982 479 D CA 1.512 55.594 54.000 0.136 0.000 0.828 479 D CB -0.515 40.357 40.800 0.120 0.000 0.967 479 D HN 0.558 nan 8.370 nan 0.000 0.464 480 N N -0.119 118.599 118.700 0.030 0.000 2.058 480 N HA -0.170 4.571 4.740 0.002 0.000 0.191 480 N C 1.540 177.183 175.510 0.220 0.000 1.037 480 N CA 1.265 54.370 53.050 0.091 0.000 0.848 480 N CB -0.237 38.291 38.487 0.068 0.000 1.021 480 N HN 0.109 nan 8.380 nan 0.000 0.422 481 W N 1.180 122.467 121.300 -0.021 0.000 2.388 481 W HA 0.051 4.713 4.660 0.002 0.000 0.294 481 W C 2.431 178.898 176.519 -0.087 0.000 1.212 481 W CA 0.362 57.681 57.345 -0.044 0.000 1.271 481 W CB -1.255 28.182 29.460 -0.039 0.000 1.126 481 W HN 0.295 nan 8.180 nan 0.000 0.535 482 Q N 1.046 120.897 119.800 0.085 0.000 2.124 482 Q HA -0.172 4.169 4.340 0.002 0.000 0.202 482 Q C 1.781 177.749 176.000 -0.053 0.000 0.977 482 Q CA 1.352 57.080 55.803 -0.124 0.000 0.850 482 Q CB -0.166 28.304 28.738 -0.448 0.000 0.901 482 Q HN 0.099 nan 8.270 nan 0.000 0.429 483 K N 0.274 120.683 120.400 0.015 0.000 2.288 483 K HA 0.035 4.357 4.320 0.002 0.000 0.201 483 K C 1.982 178.594 176.600 0.020 0.000 1.048 483 K CA 0.401 56.702 56.287 0.023 0.000 0.956 483 K CB 0.104 32.629 32.500 0.041 0.000 0.746 483 K HN 0.299 nan 8.250 nan 0.000 0.461 484 L N 0.113 121.355 121.223 0.031 0.000 2.567 484 L HA 0.125 4.467 4.340 0.002 0.000 0.225 484 L C 1.974 178.829 176.870 -0.026 0.000 1.119 484 L CA -0.051 54.785 54.840 -0.007 0.000 0.871 484 L CB -0.202 41.848 42.059 -0.015 0.000 1.036 484 L HN -0.003 nan 8.230 nan 0.000 0.459 485 I N 0.549 121.119 120.570 0.002 0.000 2.118 485 I HA -0.355 3.816 4.170 0.002 0.000 0.241 485 I C 2.090 178.270 176.117 0.104 0.000 1.070 485 I CA 1.564 62.879 61.300 0.026 0.000 1.327 485 I CB -0.252 37.755 38.000 0.011 0.000 1.034 485 I HN 0.304 nan 8.210 nan 0.000 0.405 486 D N 0.705 121.173 120.400 0.113 0.000 2.104 486 D HA -0.171 4.470 4.640 0.002 0.000 0.194 486 D C 1.910 178.259 176.300 0.081 0.000 0.994 486 D CA 1.333 55.411 54.000 0.130 0.000 0.830 486 D CB -0.585 40.206 40.800 -0.015 0.000 0.959 486 D HN 0.247 nan 8.370 nan 0.000 0.452 487 N N -0.244 118.461 118.700 0.010 0.000 2.289 487 N HA -0.054 4.688 4.740 0.002 0.000 0.184 487 N C 1.722 177.183 175.510 -0.080 0.000 1.016 487 N CA 0.489 53.519 53.050 -0.032 0.000 0.872 487 N CB -0.088 38.367 38.487 -0.055 0.000 0.973 487 N HN 0.213 nan 8.380 nan 0.000 0.433 488 L N -1.288 119.872 121.223 -0.106 0.000 2.298 488 L HA 0.097 4.438 4.340 0.002 0.000 0.209 488 L C 1.599 178.415 176.870 -0.090 0.000 1.084 488 L CA 1.083 55.795 54.840 -0.213 0.000 0.816 488 L CB 0.025 41.851 42.059 -0.389 0.000 0.967 488 L HN 0.259 nan 8.230 nan 0.000 0.460 489 T N -5.199 109.382 114.554 0.045 0.000 3.043 489 T HA 0.063 4.415 4.350 0.002 0.000 0.272 489 T C 0.016 174.827 174.700 0.186 0.000 0.990 489 T CA -0.185 61.992 62.100 0.128 0.000 0.897 489 T CB -0.128 68.856 68.868 0.194 0.000 1.111 489 T HN 0.046 nan 8.240 nan 0.000 0.529 490 Y N 2.576 122.860 120.300 -0.027 0.000 2.404 490 Y HA 0.557 5.108 4.550 0.002 0.000 0.344 490 Y C 0.300 176.038 175.900 -0.270 0.000 0.970 490 Y CA -0.658 57.287 58.100 -0.257 0.000 1.180 490 Y CB 1.127 39.339 38.460 -0.413 0.000 1.138 490 Y HN 0.081 nan 8.280 nan 0.000 0.510 491 T N 3.929 118.043 114.554 -0.733 0.000 2.913 491 T HA 0.243 4.594 4.350 0.002 0.000 0.287 491 T C 0.334 174.548 174.700 -0.810 0.000 1.008 491 T CA -0.251 61.462 62.100 -0.645 0.000 1.067 491 T CB 0.825 69.311 68.868 -0.637 0.000 0.996 491 T HN 0.902 nan 8.240 nan 0.000 0.513 492 E N 2.095 122.020 120.200 -0.458 0.000 2.759 492 E HA 0.203 4.554 4.350 0.002 0.000 0.220 492 E C 0.450 176.912 176.600 -0.230 0.000 0.974 492 E CA -0.085 56.119 56.400 -0.326 0.000 1.148 492 E CB 0.392 30.003 29.700 -0.149 0.000 1.059 492 E HN 0.630 nan 8.360 nan 0.000 0.493 493 N N 0.450 118.997 118.700 -0.255 0.000 2.377 493 N HA 0.113 4.854 4.740 0.002 0.000 0.259 493 N C -0.046 175.375 175.510 -0.148 0.000 1.332 493 N CA -0.213 52.744 53.050 -0.154 0.000 0.877 493 N CB 0.786 39.206 38.487 -0.111 0.000 1.299 493 N HN 0.051 nan 8.380 nan 0.000 0.501 494 G N 0.963 109.621 108.800 -0.238 0.000 2.503 494 G HA2 0.195 4.156 3.960 0.002 0.000 0.257 494 G HA3 0.195 4.156 3.960 0.002 0.000 0.257 494 G C -1.412 173.541 174.900 0.089 0.000 1.214 494 G CA -0.802 44.234 45.100 -0.107 0.000 0.839 494 G HN 0.116 nan 8.290 nan 0.000 0.559 495 P HA 0.057 nan 4.420 nan 0.000 0.236 495 P C 0.342 177.706 177.300 0.108 0.000 1.177 495 P CA 0.323 63.486 63.100 0.105 0.000 0.773 495 P CB 0.405 32.159 31.700 0.091 0.000 0.878 496 L N -0.521 120.801 121.223 0.165 0.000 2.334 496 L HA 0.453 4.794 4.340 0.002 0.000 0.277 496 L C 1.680 178.573 176.870 0.038 0.000 1.075 496 L CA -0.104 54.744 54.840 0.013 0.000 0.804 496 L CB 0.499 42.410 42.059 -0.246 0.000 1.174 496 L HN 0.103 nan 8.230 nan 0.000 0.438 497 G N 2.847 111.638 108.800 -0.014 0.000 2.661 497 G HA2 -0.439 3.522 3.960 0.002 0.000 0.327 497 G HA3 -0.439 3.522 3.960 0.002 0.000 0.327 497 G C 0.694 175.623 174.900 0.048 0.000 1.320 497 G CA 0.753 45.857 45.100 0.006 0.000 0.997 497 G HN 0.984 nan 8.290 nan 0.000 0.543 498 N N 2.568 121.305 118.700 0.061 0.000 2.449 498 N HA 0.294 5.035 4.740 0.002 0.000 0.191 498 N C 1.713 177.260 175.510 0.062 0.000 1.161 498 N CA 1.495 54.578 53.050 0.055 0.000 0.863 498 N CB -0.346 38.170 38.487 0.047 0.000 0.980 498 N HN 2.333 nan 8.380 nan 0.000 0.458 499 G N -0.333 108.550 108.800 0.138 0.000 2.166 499 G HA2 -0.315 3.646 3.960 0.002 0.000 0.260 499 G HA3 -0.315 3.646 3.960 0.002 0.000 0.260 499 G C -0.475 174.324 174.900 -0.168 0.000 0.986 499 G CA 0.409 45.564 45.100 0.092 0.000 0.683 499 G HN 0.568 nan 8.290 nan 0.000 0.527 500 Q N -0.679 119.079 119.800 -0.070 0.000 2.339 500 Q HA 0.670 5.011 4.340 0.002 0.000 0.268 500 Q C -0.440 175.385 176.000 -0.293 0.000 1.027 500 Q CA -0.873 54.720 55.803 -0.349 0.000 0.759 500 Q CB 1.378 30.059 28.738 -0.095 0.000 1.244 500 Q HN 0.830 nan 8.270 nan 0.000 0.464 501 Y N -1.297 118.511 120.300 -0.820 0.000 2.765 501 Y HA 0.341 4.892 4.550 0.002 0.000 0.350 501 Y C -1.737 173.775 175.900 -0.647 0.000 1.196 501 Y CA -1.608 56.130 58.100 -0.603 0.000 1.119 501 Y CB 0.333 38.600 38.460 -0.321 0.000 1.368 501 Y HN 0.344 nan 8.280 nan 0.000 0.463 502 Y N 3.537 123.817 120.300 -0.034 0.000 2.425 502 Y HA 0.450 5.002 4.550 0.002 0.000 0.331 502 Y C 1.105 177.026 175.900 0.035 0.000 1.157 502 Y CA -0.263 57.839 58.100 0.004 0.000 1.372 502 Y CB 0.690 39.179 38.460 0.048 0.000 1.253 502 Y HN 0.629 nan 8.280 nan 0.000 0.536 503 I N 0.309 120.980 120.570 0.169 0.000 2.918 503 I HA 0.469 4.641 4.170 0.002 0.000 0.316 503 I C 1.365 177.565 176.117 0.140 0.000 1.001 503 I CA -1.058 60.341 61.300 0.165 0.000 1.142 503 I CB 1.435 39.483 38.000 0.080 0.000 1.356 503 I HN 0.628 nan 8.210 nan 0.000 0.524 504 R N 1.858 122.426 120.500 0.114 0.000 2.083 504 R HA 0.121 4.463 4.340 0.002 0.000 0.237 504 R C 0.130 176.445 176.300 0.025 0.000 1.137 504 R CA 1.668 57.813 56.100 0.074 0.000 0.951 504 R CB 0.172 30.497 30.300 0.042 0.000 0.851 504 R HN 0.804 nan 8.270 nan 0.000 0.434 505 I N -0.732 119.850 120.570 0.020 0.000 2.731 505 I HA 0.272 4.444 4.170 0.002 0.000 0.289 505 I C -1.855 174.259 176.117 -0.005 0.000 1.399 505 I CA -0.678 60.618 61.300 -0.006 0.000 1.048 505 I CB 1.987 39.957 38.000 -0.051 0.000 1.345 505 I HN 0.134 nan 8.210 nan 0.000 0.425 506 A N 4.488 127.307 122.820 -0.001 0.000 2.276 506 A HA 0.589 4.911 4.320 0.002 0.000 0.300 506 A C 0.989 178.481 177.584 -0.152 0.000 1.235 506 A CA 0.204 52.214 52.037 -0.045 0.000 0.867 506 A CB 0.963 19.962 19.000 -0.001 0.000 1.137 506 A HN 1.030 nan 8.150 nan 0.000 0.527 507 G N 1.685 110.209 108.800 -0.459 0.000 2.484 507 G HA2 0.290 4.251 3.960 0.002 0.000 0.218 507 G HA3 0.290 4.251 3.960 0.002 0.000 0.218 507 G C 0.389 174.746 174.900 -0.905 0.000 1.130 507 G CA 1.511 46.031 45.100 -0.967 0.000 0.784 507 G HN 0.981 nan 8.290 nan 0.000 0.543 508 L N -3.609 117.259 121.223 -0.592 0.000 2.397 508 L HA 0.612 4.954 4.340 0.002 0.000 0.251 508 L C 0.821 177.637 176.870 -0.089 0.000 1.064 508 L CA -0.712 53.995 54.840 -0.222 0.000 0.859 508 L CB 1.224 43.136 42.059 -0.245 0.000 1.468 508 L HN -0.125 nan 8.230 nan 0.000 0.411 509 S N -1.487 114.142 115.700 -0.119 0.000 3.054 509 S HA 0.197 4.668 4.470 0.002 0.000 0.243 509 S C -0.009 174.453 174.600 -0.231 0.000 1.013 509 S CA 0.404 58.403 58.200 -0.336 0.000 1.119 509 S CB -1.334 61.697 63.200 -0.283 0.000 0.838 509 S HN 0.757 nan 8.310 nan 0.000 0.505 510 D N 1.077 121.375 120.400 -0.171 0.000 2.319 510 D HA 0.272 4.913 4.640 0.002 0.000 0.237 510 D C -2.124 174.113 176.300 -0.105 0.000 1.353 510 D CA -1.802 52.126 54.000 -0.120 0.000 0.992 510 D CB 1.854 42.609 40.800 -0.076 0.000 1.368 510 D HN 0.001 nan 8.370 nan 0.000 0.564 511 P HA -0.029 nan 4.420 nan 0.000 0.230 511 P C 0.367 177.597 177.300 -0.116 0.000 1.158 511 P CA 0.608 63.644 63.100 -0.107 0.000 0.769 511 P CB 0.708 32.342 31.700 -0.111 0.000 0.807 512 D N -0.263 120.077 120.400 -0.100 0.000 2.327 512 D HA 0.110 4.751 4.640 0.002 0.000 0.205 512 D C 1.207 177.478 176.300 -0.049 0.000 0.989 512 D CA 0.209 54.152 54.000 -0.094 0.000 0.873 512 D CB 0.085 40.833 40.800 -0.086 0.000 0.955 512 D HN 0.129 nan 8.370 nan 0.000 0.515 513 A N 0.899 123.703 122.820 -0.027 0.000 2.346 513 A HA 0.157 4.478 4.320 0.002 0.000 0.252 513 A C -0.039 177.577 177.584 0.053 0.000 1.089 513 A CA -0.148 51.897 52.037 0.014 0.000 0.797 513 A CB 0.385 19.402 19.000 0.029 0.000 1.047 513 A HN -0.149 nan 8.150 nan 0.000 0.494 514 D N -0.329 120.115 120.400 0.074 0.000 2.264 514 D HA 0.571 5.213 4.640 0.002 0.000 0.250 514 D C -1.166 175.246 176.300 0.188 0.000 1.113 514 D CA 0.800 54.856 54.000 0.094 0.000 0.871 514 D CB 0.945 41.773 40.800 0.048 0.000 1.167 514 D HN 0.335 nan 8.370 nan 0.000 0.447 515 F N 2.431 122.382 119.950 0.002 0.000 2.651 515 F HA 0.240 4.768 4.527 0.002 0.000 0.329 515 F C -1.453 174.353 175.800 0.010 0.000 1.186 515 F CA -0.848 57.154 58.000 0.004 0.000 1.046 515 F CB 0.990 39.994 39.000 0.007 0.000 1.296 515 F HN 0.039 nan 8.300 nan 0.000 0.497 516 M N 7.336 126.755 119.600 -0.301 0.000 2.216 516 M HA 0.494 4.975 4.480 0.002 0.000 0.356 516 M C -0.294 175.922 176.300 -0.140 0.000 1.205 516 M CA -0.365 54.832 55.300 -0.171 0.000 1.122 516 M CB 0.922 33.394 32.600 -0.213 0.000 1.571 516 M HN 0.602 nan 8.290 nan 0.000 0.464 517 I N 0.544 121.140 120.570 0.044 0.000 2.785 517 I HA 0.559 4.731 4.170 0.002 0.000 0.302 517 I C -0.938 175.213 176.117 0.057 0.000 1.069 517 I CA -1.044 60.317 61.300 0.100 0.000 1.045 517 I CB 2.179 40.290 38.000 0.186 0.000 1.236 517 I HN 0.489 nan 8.210 nan 0.000 0.429 518 N N 5.164 123.892 118.700 0.047 0.000 2.437 518 N HA 0.461 5.202 4.740 0.002 0.000 0.259 518 N C -0.713 174.845 175.510 0.080 0.000 0.983 518 N CA -0.539 52.534 53.050 0.038 0.000 0.937 518 N CB 1.355 39.848 38.487 0.011 0.000 1.122 518 N HN 0.428 nan 8.380 nan 0.000 0.499 519 I N 1.842 122.495 120.570 0.138 0.000 2.474 519 I HA 0.256 4.427 4.170 0.002 0.000 0.287 519 I C 1.202 177.416 176.117 0.162 0.000 1.048 519 I CA -0.616 60.793 61.300 0.181 0.000 1.383 519 I CB 0.312 38.511 38.000 0.331 0.000 1.412 519 I HN 0.517 nan 8.210 nan 0.000 0.531 520 A N 5.715 128.630 122.820 0.159 0.000 2.292 520 A HA 0.229 4.550 4.320 0.002 0.000 0.265 520 A C 0.892 178.592 177.584 0.193 0.000 1.133 520 A CA -0.274 51.850 52.037 0.145 0.000 0.807 520 A CB -0.043 19.026 19.000 0.116 0.000 1.102 520 A HN 0.876 nan 8.150 nan 0.000 0.502 521 N N -0.903 117.910 118.700 0.189 0.000 2.721 521 N HA -0.223 4.519 4.740 0.002 0.000 0.249 521 N C 0.827 176.449 175.510 0.185 0.000 1.072 521 N CA 1.785 54.980 53.050 0.240 0.000 0.710 521 N CB -1.627 37.075 38.487 0.357 0.000 0.993 521 N HN 2.077 nan 8.380 nan 0.000 0.547 522 G N -1.479 107.402 108.800 0.135 0.000 2.179 522 G HA2 -0.316 3.646 3.960 0.002 0.000 0.257 522 G HA3 -0.316 3.646 3.960 0.002 0.000 0.257 522 G C 1.159 176.138 174.900 0.133 0.000 1.010 522 G CA 0.992 46.156 45.100 0.106 0.000 0.736 522 G HN 0.825 nan 8.290 nan 0.000 0.513 523 G N -0.494 108.418 108.800 0.186 0.000 2.509 523 G HA2 0.476 4.437 3.960 0.002 0.000 0.218 523 G HA3 0.476 4.437 3.960 0.002 0.000 0.218 523 G C 1.467 176.547 174.900 0.300 0.000 1.124 523 G CA 1.581 46.836 45.100 0.257 0.000 0.776 523 G HN 2.209 nan 8.290 nan 0.000 0.547 524 G N -2.063 106.830 108.800 0.155 0.000 2.549 524 G HA2 0.094 4.056 3.960 0.002 0.000 0.404 524 G HA3 0.094 4.056 3.960 0.002 0.000 0.404 524 G C -0.930 173.861 174.900 -0.182 0.000 1.292 524 G CA -0.450 44.625 45.100 -0.042 0.000 0.935 524 G HN 0.832 nan 8.290 nan 0.000 0.512 525 V N 0.838 120.395 119.914 -0.595 0.000 2.495 525 V HA 0.824 4.945 4.120 0.002 0.000 0.298 525 V C -0.565 174.993 176.094 -0.893 0.000 1.031 525 V CA -0.513 61.497 62.300 -0.483 0.000 0.871 525 V CB 1.183 32.834 31.823 -0.286 0.000 0.988 525 V HN 0.842 nan 8.190 nan 0.000 0.432 526 Y N 0.881 121.151 120.300 -0.050 0.000 2.644 526 Y HA 0.473 5.025 4.550 0.002 0.000 0.338 526 Y C -0.200 175.705 175.900 0.009 0.000 1.119 526 Y CA -1.351 56.727 58.100 -0.036 0.000 1.060 526 Y CB 1.214 39.652 38.460 -0.036 0.000 1.294 526 Y HN 0.675 nan 8.280 nan 0.000 0.472 527 D N 0.482 120.998 120.400 0.192 0.000 2.302 527 D HA 0.125 4.766 4.640 0.002 0.000 0.248 527 D C 0.920 177.327 176.300 0.179 0.000 1.094 527 D CA -0.159 53.929 54.000 0.147 0.000 0.897 527 D CB 1.127 41.993 40.800 0.110 0.000 1.200 527 D HN 0.626 nan 8.370 nan 0.000 0.429 528 Q N 2.649 122.562 119.800 0.188 0.000 2.173 528 Q HA -0.282 4.059 4.340 0.002 0.000 0.208 528 Q C 1.149 177.222 176.000 0.122 0.000 0.989 528 Q CA 1.284 57.183 55.803 0.160 0.000 0.872 528 Q CB -0.223 28.606 28.738 0.152 0.000 0.909 528 Q HN 0.456 nan 8.270 nan 0.000 0.420 529 K N 0.565 121.026 120.400 0.102 0.000 2.442 529 K HA -0.072 4.249 4.320 0.002 0.000 0.198 529 K C 1.486 178.198 176.600 0.187 0.000 1.042 529 K CA 1.035 57.373 56.287 0.085 0.000 0.958 529 K CB 0.143 32.651 32.500 0.015 0.000 0.766 529 K HN 0.424 nan 8.250 nan 0.000 0.474 530 E N 0.322 120.623 120.200 0.168 0.000 2.385 530 E HA 0.006 4.358 4.350 0.002 0.000 0.194 530 E C 0.099 176.771 176.600 0.121 0.000 1.013 530 E CA 0.300 56.794 56.400 0.157 0.000 0.866 530 E CB 0.392 30.193 29.700 0.169 0.000 0.832 530 E HN 0.119 nan 8.360 nan 0.000 0.500 531 I N 2.621 123.271 120.570 0.134 0.000 2.321 531 I HA 0.157 4.328 4.170 0.002 0.000 0.291 531 I C 0.298 176.487 176.117 0.119 0.000 0.998 531 I CA -0.770 60.594 61.300 0.108 0.000 1.227 531 I CB 0.802 38.860 38.000 0.097 0.000 1.368 531 I HN -0.241 nan 8.210 nan 0.000 0.466 532 V N 2.669 122.635 119.914 0.087 0.000 2.881 532 V HA 0.771 4.892 4.120 0.002 0.000 0.316 532 V C -0.666 175.528 176.094 0.167 0.000 1.070 532 V CA -0.536 61.811 62.300 0.079 0.000 0.976 532 V CB 2.787 34.569 31.823 -0.068 0.000 1.038 532 V HN 0.748 nan 8.190 nan 0.000 0.446 533 D N 2.235 122.756 120.400 0.202 0.000 2.970 533 D HA 0.423 5.064 4.640 0.002 0.000 0.230 533 D C -2.358 174.155 176.300 0.355 0.000 1.276 533 D CA -1.459 52.722 54.000 0.301 0.000 0.910 533 D CB 3.094 44.068 40.800 0.290 0.000 1.590 533 D HN 0.388 nan 8.370 nan 0.000 0.551 534 P HA -0.044 nan 4.420 nan 0.000 0.231 534 P C 0.960 178.278 177.300 0.029 0.000 1.158 534 P CA 0.340 63.562 63.100 0.204 0.000 0.763 534 P CB 0.358 32.031 31.700 -0.045 0.000 0.805 535 S N 0.188 115.948 115.700 0.099 0.000 2.500 535 S HA -0.123 4.349 4.470 0.002 0.000 0.239 535 S C 1.383 175.927 174.600 -0.094 0.000 0.989 535 S CA 0.885 59.045 58.200 -0.066 0.000 0.951 535 S CB -1.221 61.863 63.200 -0.194 0.000 0.759 535 S HN 0.366 nan 8.310 nan 0.000 0.523 536 F N 1.226 121.115 119.950 -0.101 0.000 2.333 536 F HA 0.079 4.608 4.527 0.002 0.000 0.300 536 F C 1.368 177.069 175.800 -0.165 0.000 1.083 536 F CA 0.595 58.504 58.000 -0.153 0.000 1.395 536 F CB -0.905 38.037 39.000 -0.095 0.000 1.056 536 F HN 0.076 nan 8.300 nan 0.000 0.529 537 L N 0.563 121.098 121.223 -1.148 0.000 2.450 537 L HA -0.112 4.229 4.340 0.002 0.000 0.224 537 L C 2.268 178.923 176.870 -0.358 0.000 1.149 537 L CA 0.731 55.031 54.840 -0.900 0.000 0.816 537 L CB -0.724 40.843 42.059 -0.820 0.000 0.932 537 L HN 0.198 nan 8.230 nan 0.000 0.449 538 E N 0.281 120.329 120.200 -0.252 0.000 2.268 538 E HA -0.163 4.188 4.350 0.002 0.000 0.195 538 E C 2.288 178.839 176.600 -0.082 0.000 0.995 538 E CA 0.874 57.211 56.400 -0.106 0.000 0.836 538 E CB -0.040 29.614 29.700 -0.077 0.000 0.763 538 E HN 0.546 nan 8.360 nan 0.000 0.491 539 L N 0.420 121.563 121.223 -0.132 0.000 2.012 539 L HA -0.188 4.153 4.340 0.002 0.000 0.210 539 L C 2.662 179.520 176.870 -0.020 0.000 1.073 539 L CA 1.446 56.227 54.840 -0.098 0.000 0.748 539 L CB -0.693 41.268 42.059 -0.163 0.000 0.891 539 L HN 0.095 nan 8.230 nan 0.000 0.431 540 V N -2.533 117.379 119.914 -0.004 0.000 2.535 540 V HA -0.104 4.018 4.120 0.002 0.000 0.246 540 V C 2.656 178.790 176.094 0.067 0.000 1.045 540 V CA 1.151 63.498 62.300 0.078 0.000 1.058 540 V CB -0.599 31.322 31.823 0.163 0.000 0.689 540 V HN 0.296 nan 8.190 nan 0.000 0.461 541 R N 1.035 121.553 120.500 0.029 0.000 2.103 541 R HA -0.018 4.323 4.340 0.002 0.000 0.242 541 R C 1.982 178.324 176.300 0.069 0.000 1.142 541 R CA 2.208 58.330 56.100 0.036 0.000 0.960 541 R CB -1.098 29.222 30.300 0.033 0.000 0.858 541 R HN 0.618 nan 8.270 nan 0.000 0.439 542 L N -0.908 120.360 121.223 0.076 0.000 2.554 542 L HA 0.237 4.578 4.340 0.002 0.000 0.226 542 L C 0.995 177.944 176.870 0.133 0.000 1.137 542 L CA 0.500 55.400 54.840 0.099 0.000 0.863 542 L CB 0.046 42.147 42.059 0.070 0.000 0.985 542 L HN 0.615 nan 8.230 nan 0.000 0.451 543 G N -0.427 108.469 108.800 0.160 0.000 2.149 543 G HA2 -0.230 3.731 3.960 0.002 0.000 0.235 543 G HA3 -0.230 3.731 3.960 0.002 0.000 0.235 543 G C 0.537 175.571 174.900 0.224 0.000 1.018 543 G CA 0.269 45.530 45.100 0.268 0.000 0.728 543 G HN 0.136 nan 8.290 nan 0.000 0.508 544 V N -0.988 118.996 119.914 0.116 0.000 2.992 544 V HA 0.281 4.403 4.120 0.002 0.000 0.250 544 V C 1.123 177.223 176.094 0.010 0.000 1.090 544 V CA 1.465 63.770 62.300 0.007 0.000 1.101 544 V CB 0.211 31.975 31.823 -0.098 0.000 0.743 544 V HN 0.328 nan 8.190 nan 0.000 0.468 545 K N -0.166 120.267 120.400 0.056 0.000 2.508 545 K HA 0.527 4.848 4.320 0.002 0.000 0.260 545 K C -0.694 175.975 176.600 0.116 0.000 0.949 545 K CA -0.285 56.045 56.287 0.071 0.000 0.834 545 K CB 2.193 34.730 32.500 0.061 0.000 1.365 545 K HN 0.049 nan 8.250 nan 0.000 0.437 546 S N 0.874 116.642 115.700 0.113 0.000 2.580 546 S HA 0.181 4.652 4.470 0.002 0.000 0.274 546 S C 1.306 176.006 174.600 0.167 0.000 1.329 546 S CA -0.018 58.261 58.200 0.132 0.000 1.036 546 S CB 1.263 64.519 63.200 0.094 0.000 0.919 546 S HN 0.660 nan 8.310 nan 0.000 0.515 547 A N 1.972 124.887 122.820 0.158 0.000 2.019 547 A HA -0.134 4.188 4.320 0.002 0.000 0.219 547 A C 1.409 179.137 177.584 0.241 0.000 1.164 547 A CA 1.727 53.880 52.037 0.193 0.000 0.644 547 A CB -0.534 18.418 19.000 -0.081 0.000 0.805 547 A HN 0.864 nan 8.150 nan 0.000 0.449 548 D N -0.675 119.818 120.400 0.154 0.000 2.340 548 D HA 0.035 4.677 4.640 0.002 0.000 0.217 548 D C 0.117 176.496 176.300 0.132 0.000 1.081 548 D CA -0.272 53.813 54.000 0.142 0.000 0.842 548 D CB -0.391 40.464 40.800 0.092 0.000 0.934 548 D HN 0.249 nan 8.370 nan 0.000 0.511 549 D N 1.936 122.423 120.400 0.145 0.000 2.472 549 D HA -0.038 4.604 4.640 0.002 0.000 0.248 549 D C -1.038 175.333 176.300 0.118 0.000 1.174 549 D CA -1.316 52.753 54.000 0.115 0.000 0.883 549 D CB 1.572 42.450 40.800 0.131 0.000 1.149 549 D HN -0.008 nan 8.370 nan 0.000 0.488 550 P HA -0.181 nan 4.420 nan 0.000 0.218 550 P C 0.894 178.233 177.300 0.066 0.000 1.146 550 P CA 1.214 64.353 63.100 0.065 0.000 0.813 550 P CB 0.357 32.076 31.700 0.031 0.000 0.778 551 K N -0.901 119.499 120.400 -0.000 0.000 2.155 551 K HA -0.036 4.286 4.320 0.002 0.000 0.203 551 K C 2.184 178.917 176.600 0.223 0.000 1.052 551 K CA 0.828 57.069 56.287 -0.075 0.000 0.948 551 K CB -0.288 31.885 32.500 -0.544 0.000 0.728 551 K HN 0.116 nan 8.250 nan 0.000 0.448 552 I N 1.257 122.025 120.570 0.330 0.000 2.202 552 I HA -0.228 3.944 4.170 0.002 0.000 0.242 552 I C 2.178 178.482 176.117 0.310 0.000 1.091 552 I CA 1.137 62.709 61.300 0.453 0.000 1.368 552 I CB -0.807 37.414 38.000 0.368 0.000 1.058 552 I HN 0.134 nan 8.210 nan 0.000 0.410 553 L N 0.589 121.943 121.223 0.218 0.000 2.083 553 L HA -0.207 4.135 4.340 0.002 0.000 0.209 553 L C 2.124 179.072 176.870 0.130 0.000 1.083 553 L CA 1.770 56.710 54.840 0.167 0.000 0.752 553 L CB -1.784 40.363 42.059 0.148 0.000 0.899 553 L HN 0.382 nan 8.230 nan 0.000 0.433 554 N N -1.104 117.674 118.700 0.130 0.000 2.120 554 N HA -0.153 4.589 4.740 0.002 0.000 0.188 554 N C 1.602 177.148 175.510 0.059 0.000 1.024 554 N CA 1.677 54.792 53.050 0.108 0.000 0.852 554 N CB 0.039 38.617 38.487 0.152 0.000 1.003 554 N HN 0.321 nan 8.380 nan 0.000 0.424 555 T N 1.240 115.806 114.554 0.020 0.000 2.777 555 T HA -0.069 4.282 4.350 0.002 0.000 0.266 555 T C 1.811 176.380 174.700 -0.219 0.000 1.040 555 T CA 0.499 62.464 62.100 -0.224 0.000 1.141 555 T CB -0.227 68.240 68.868 -0.669 0.000 0.868 555 T HN 0.047 nan 8.240 nan 0.000 0.444 556 L N 1.426 122.655 121.223 0.010 0.000 2.042 556 L HA -0.078 4.264 4.340 0.002 0.000 0.210 556 L C 2.269 179.188 176.870 0.082 0.000 1.076 556 L CA 1.716 56.634 54.840 0.130 0.000 0.749 556 L CB -0.597 41.531 42.059 0.115 0.000 0.893 556 L HN 0.196 nan 8.230 nan 0.000 0.432 557 K N -1.473 118.958 120.400 0.052 0.000 2.057 557 K HA -0.131 4.190 4.320 0.002 0.000 0.207 557 K C 1.924 178.523 176.600 -0.003 0.000 1.049 557 K CA 1.555 57.868 56.287 0.043 0.000 0.931 557 K CB -0.352 32.171 32.500 0.038 0.000 0.714 557 K HN 0.215 nan 8.250 nan 0.000 0.440 558 V N 1.018 120.878 119.914 -0.089 0.000 2.358 558 V HA -0.183 3.938 4.120 0.002 0.000 0.246 558 V C 2.302 178.318 176.094 -0.130 0.000 1.047 558 V CA 1.281 63.459 62.300 -0.203 0.000 1.035 558 V CB -0.267 31.245 31.823 -0.519 0.000 0.658 558 V HN 0.068 nan 8.190 nan 0.000 0.452 559 V N 0.388 120.263 119.914 -0.065 0.000 2.295 559 V HA -0.249 3.872 4.120 0.002 0.000 0.246 559 V C 2.234 178.457 176.094 0.214 0.000 1.049 559 V CA 2.243 64.590 62.300 0.078 0.000 1.024 559 V CB -0.642 31.275 31.823 0.156 0.000 0.648 559 V HN 0.553 nan 8.190 nan 0.000 0.447 560 D N -0.371 120.170 120.400 0.236 0.000 2.264 560 D HA -0.075 4.566 4.640 0.002 0.000 0.208 560 D C 2.346 178.721 176.300 0.125 0.000 0.966 560 D CA 1.194 55.362 54.000 0.279 0.000 0.864 560 D CB -0.047 40.924 40.800 0.285 0.000 0.933 560 D HN 0.366 nan 8.370 nan 0.000 0.499 561 S N -0.676 115.064 115.700 0.066 0.000 2.470 561 S HA -0.056 4.415 4.470 0.002 0.000 0.225 561 S C 2.020 176.622 174.600 0.003 0.000 1.006 561 S CA 1.300 59.513 58.200 0.020 0.000 0.934 561 S CB 0.189 63.384 63.200 -0.009 0.000 0.778 561 S HN 0.502 nan 8.310 nan 0.000 0.517 562 T N -0.288 114.269 114.554 0.005 0.000 2.999 562 T HA 0.288 4.639 4.350 0.002 0.000 0.247 562 T C 1.217 175.930 174.700 0.021 0.000 1.012 562 T CA -0.021 62.068 62.100 -0.019 0.000 1.048 562 T CB -0.318 68.507 68.868 -0.072 0.000 1.020 562 T HN 0.492 nan 8.240 nan 0.000 0.478 563 I N -1.731 118.908 120.570 0.116 0.000 3.966 563 I HA 0.534 4.705 4.170 0.002 0.000 0.324 563 I C -0.045 176.188 176.117 0.194 0.000 1.517 563 I CA -0.901 60.544 61.300 0.241 0.000 1.117 563 I CB 0.290 38.460 38.000 0.283 0.000 1.190 563 I HN -0.060 nan 8.210 nan 0.000 0.466 564 K N 2.239 122.635 120.400 -0.006 0.000 2.156 564 K HA 0.668 4.989 4.320 0.002 0.000 0.271 564 K C -1.245 175.144 176.600 -0.352 0.000 0.995 564 K CA -0.411 55.586 56.287 -0.484 0.000 0.890 564 K CB 2.190 34.457 32.500 -0.388 0.000 1.073 564 K HN 0.116 nan 8.250 nan 0.000 0.454 565 V N 3.780 123.393 119.914 -0.501 0.000 2.577 565 V HA 0.167 4.289 4.120 0.002 0.000 0.303 565 V C -1.003 174.912 176.094 -0.297 0.000 1.042 565 V CA -0.973 61.149 62.300 -0.297 0.000 0.872 565 V CB 1.862 33.531 31.823 -0.257 0.000 0.998 565 V HN 0.839 nan 8.190 nan 0.000 0.423 566 D N 3.561 123.850 120.400 -0.186 0.000 2.380 566 D HA 0.322 4.963 4.640 0.002 0.000 0.230 566 D C 0.507 176.762 176.300 -0.074 0.000 1.154 566 D CA 0.157 54.075 54.000 -0.137 0.000 0.859 566 D CB 1.791 42.529 40.800 -0.104 0.000 1.045 566 D HN 0.738 nan 8.370 nan 0.000 0.495 567 T N -0.495 114.039 114.554 -0.032 0.000 2.824 567 T HA 0.351 4.702 4.350 0.002 0.000 0.277 567 T C -1.606 173.085 174.700 -0.016 0.000 0.975 567 T CA -1.358 60.752 62.100 0.016 0.000 0.966 567 T CB 1.778 70.725 68.868 0.132 0.000 1.054 567 T HN 0.047 nan 8.240 nan 0.000 0.533 568 P HA 0.118 nan 4.420 nan 0.000 0.242 568 P C 0.610 177.860 177.300 -0.083 0.000 1.197 568 P CA 0.459 63.535 63.100 -0.039 0.000 0.765 568 P CB 0.178 31.865 31.700 -0.022 0.000 0.936 569 K N -0.776 119.552 120.400 -0.121 0.000 2.380 569 K HA 0.355 4.677 4.320 0.002 0.000 0.198 569 K C 1.190 177.522 176.600 -0.446 0.000 1.070 569 K CA 0.508 56.609 56.287 -0.310 0.000 1.040 569 K CB 1.339 33.573 32.500 -0.444 0.000 0.903 569 K HN 0.227 nan 8.250 nan 0.000 0.549 570 G N 2.327 110.976 108.800 -0.252 0.000 2.347 570 G HA2 -0.071 3.891 3.960 0.002 0.000 0.341 570 G HA3 -0.071 3.891 3.960 0.002 0.000 0.341 570 G C -3.265 171.612 174.900 -0.038 0.000 1.287 570 G CA -1.063 43.919 45.100 -0.196 0.000 0.984 570 G HN -0.203 nan 8.290 nan 0.000 0.526 571 P HA 0.541 nan 4.420 nan 0.000 0.279 571 P C -0.396 176.907 177.300 0.005 0.000 1.239 571 P CA 0.043 63.071 63.100 -0.120 0.000 0.789 571 P CB 1.920 33.524 31.700 -0.160 0.000 0.933 572 S N 2.043 117.533 115.700 -0.351 0.000 2.625 572 S HA 0.690 5.161 4.470 0.002 0.000 0.271 572 S C -1.897 172.412 174.600 -0.486 0.000 1.161 572 S CA -0.658 57.459 58.200 -0.138 0.000 0.820 572 S CB 0.937 64.041 63.200 -0.160 0.000 1.137 572 S HN 0.438 nan 8.310 nan 0.000 0.470 573 W N 0.887 122.121 121.300 -0.110 0.000 2.975 573 W HA 0.477 5.138 4.660 0.002 0.000 0.342 573 W C -1.302 175.089 176.519 -0.213 0.000 1.168 573 W CA -0.625 56.648 57.345 -0.120 0.000 1.141 573 W CB 1.218 30.673 29.460 -0.008 0.000 1.445 573 W HN 0.619 nan 8.180 nan 0.000 0.560 574 Y N 0.611 120.973 120.300 0.104 0.000 2.374 574 Y HA 0.217 4.768 4.550 0.002 0.000 0.322 574 Y C 1.801 177.598 175.900 -0.172 0.000 1.275 574 Y CA -0.148 57.901 58.100 -0.086 0.000 1.307 574 Y CB 0.902 39.277 38.460 -0.143 0.000 1.282 574 Y HN 0.231 nan 8.280 nan 0.000 0.509 575 R N 0.505 120.806 120.500 -0.331 0.000 2.115 575 R HA -0.051 4.290 4.340 0.002 0.000 0.230 575 R C -0.998 175.361 176.300 0.099 0.000 1.111 575 R CA 1.252 57.100 56.100 -0.420 0.000 0.976 575 R CB -0.100 29.445 30.300 -1.258 0.000 0.870 575 R HN 0.737 nan 8.270 nan 0.000 0.445 576 Y N -2.739 117.563 120.300 0.003 0.000 2.717 576 Y HA 0.191 4.742 4.550 0.002 0.000 0.345 576 Y C -1.874 173.971 175.900 -0.092 0.000 1.187 576 Y CA -2.427 55.690 58.100 0.027 0.000 1.128 576 Y CB -0.062 38.448 38.460 0.084 0.000 1.360 576 Y HN -0.134 nan 8.280 nan 0.000 0.467 577 N N 2.325 121.022 118.700 -0.005 0.000 2.454 577 N HA 0.215 4.957 4.740 0.002 0.000 0.260 577 N C -0.334 174.995 175.510 -0.303 0.000 1.218 577 N CA 0.707 53.549 53.050 -0.346 0.000 0.904 577 N CB -0.186 38.042 38.487 -0.431 0.000 1.065 577 N HN 0.915 nan 8.380 nan 0.000 0.462 578 H N -3.227 115.698 119.070 -0.243 0.000 3.270 578 H HA -0.161 4.397 4.556 0.002 0.000 0.215 578 H C -0.713 174.587 175.328 -0.047 0.000 1.133 578 H CA 0.819 56.777 56.048 -0.151 0.000 1.150 578 H CB -1.643 27.960 29.762 -0.265 0.000 1.166 578 H HN 0.771 nan 8.280 nan 0.000 0.315 579 D N 0.901 121.151 120.400 -0.250 0.000 2.488 579 D HA 0.204 4.845 4.640 0.002 0.000 0.238 579 D C 1.451 177.708 176.300 -0.072 0.000 1.138 579 D CA 1.272 55.033 54.000 -0.398 0.000 0.873 579 D CB 0.734 40.984 40.800 -0.917 0.000 1.183 579 D HN 0.469 nan 8.370 nan 0.000 0.458 580 G N 2.790 111.646 108.800 0.093 0.000 3.228 580 G HA2 -0.069 3.892 3.960 0.002 0.000 0.245 580 G HA3 -0.069 3.892 3.960 0.002 0.000 0.245 580 G C 0.237 175.248 174.900 0.184 0.000 1.051 580 G CA -0.376 44.807 45.100 0.138 0.000 0.809 580 G HN 0.594 nan 8.290 nan 0.000 0.531 581 Y N 1.757 122.047 120.300 -0.016 0.000 2.570 581 Y HA 0.451 5.002 4.550 0.002 0.000 0.336 581 Y C 0.676 176.431 175.900 -0.243 0.000 1.284 581 Y CA 0.173 58.172 58.100 -0.169 0.000 1.761 581 Y CB -0.330 38.093 38.460 -0.061 0.000 1.724 581 Y HN 0.179 nan 8.280 nan 0.000 0.455 582 G N 2.813 111.325 108.800 -0.480 0.000 2.349 582 G HA2 0.164 4.126 3.960 0.002 0.000 0.294 582 G HA3 0.164 4.126 3.960 0.002 0.000 0.294 582 G C -1.666 173.079 174.900 -0.258 0.000 1.380 582 G CA -1.202 43.651 45.100 -0.411 0.000 0.811 582 G HN 0.239 nan 8.290 nan 0.000 0.519 583 E N 1.278 121.370 120.200 -0.180 0.000 2.414 583 E HA 0.211 4.562 4.350 0.002 0.000 0.263 583 E C -1.237 175.402 176.600 0.064 0.000 1.000 583 E CA -1.025 55.357 56.400 -0.031 0.000 0.914 583 E CB 1.476 31.279 29.700 0.172 0.000 0.948 583 E HN 0.219 nan 8.360 nan 0.000 0.444 584 P HA -0.092 nan 4.420 nan 0.000 0.222 584 P C -0.191 177.190 177.300 0.135 0.000 1.153 584 P CA 0.881 64.036 63.100 0.091 0.000 0.798 584 P CB 0.477 32.216 31.700 0.065 0.000 0.796 585 S N -2.771 113.040 115.700 0.186 0.000 2.688 585 S HA 0.441 4.912 4.470 0.002 0.000 0.275 585 S C 0.641 175.403 174.600 0.269 0.000 1.175 585 S CA -0.678 57.638 58.200 0.193 0.000 0.818 585 S CB 1.617 64.880 63.200 0.105 0.000 1.157 585 S HN -0.309 nan 8.310 nan 0.000 0.482 586 K N 0.671 121.116 120.400 0.076 0.000 2.283 586 K HA 0.063 4.385 4.320 0.002 0.000 0.202 586 K C 1.546 178.120 176.600 -0.044 0.000 1.048 586 K CA 2.009 58.173 56.287 -0.205 0.000 0.948 586 K CB -0.543 31.730 32.500 -0.379 0.000 0.742 586 K HN 0.811 nan 8.250 nan 0.000 0.458 587 T N -2.519 112.057 114.554 0.036 0.000 3.129 587 T HA 0.281 4.633 4.350 0.002 0.000 0.267 587 T C -0.209 174.556 174.700 0.109 0.000 1.018 587 T CA -0.586 61.549 62.100 0.058 0.000 0.903 587 T CB 0.043 68.927 68.868 0.027 0.000 1.067 587 T HN -0.002 nan 8.240 nan 0.000 0.549 588 E N 0.985 121.277 120.200 0.154 0.000 2.266 588 E HA 0.590 4.941 4.350 0.002 0.000 0.268 588 E C -0.884 175.827 176.600 0.185 0.000 0.879 588 E CA -0.878 55.619 56.400 0.162 0.000 0.762 588 E CB 2.410 32.187 29.700 0.127 0.000 1.199 588 E HN 0.229 nan 8.360 nan 0.000 0.422 589 L N 1.838 123.172 121.223 0.185 0.000 2.439 589 L HA 0.344 4.686 4.340 0.002 0.000 0.259 589 L C -0.139 176.584 176.870 -0.245 0.000 1.129 589 L CA -0.910 53.963 54.840 0.054 0.000 0.803 589 L CB 0.327 42.436 42.059 0.084 0.000 1.161 589 L HN 0.578 nan 8.230 nan 0.000 0.462 590 Y N 0.244 120.008 120.300 -0.893 0.000 2.377 590 Y HA 0.070 4.622 4.550 0.002 0.000 0.330 590 Y C 0.101 175.498 175.900 -0.839 0.000 1.108 590 Y CA 0.144 57.620 58.100 -1.041 0.000 1.308 590 Y CB 0.308 37.481 38.460 -2.144 0.000 1.216 590 Y HN 0.459 nan 8.280 nan 0.000 0.518 591 H N 3.628 122.135 119.070 -0.938 0.000 2.777 591 H HA 0.319 4.877 4.556 0.002 0.000 0.244 591 H C 0.938 175.826 175.328 -0.734 0.000 1.185 591 H CA 0.155 55.842 56.048 -0.602 0.000 0.945 591 H CB 0.991 30.599 29.762 -0.257 0.000 1.994 591 H HN 0.913 nan 8.280 nan 0.000 0.638 592 G N -0.133 107.778 108.800 -1.483 0.000 2.545 592 G HA2 0.040 4.001 3.960 0.002 0.000 0.195 592 G HA3 0.040 4.001 3.960 0.002 0.000 0.195 592 G C 0.099 174.822 174.900 -0.294 0.000 1.009 592 G CA -0.204 44.509 45.100 -0.646 0.000 0.703 592 G HN 0.640 nan 8.290 nan 0.000 0.479 593 A N -0.486 122.138 122.820 -0.328 0.000 2.465 593 A HA 0.970 5.291 4.320 0.002 0.000 0.292 593 A C 0.251 177.855 177.584 0.035 0.000 1.041 593 A CA 0.619 52.665 52.037 0.015 0.000 0.718 593 A CB 1.143 20.151 19.000 0.014 0.000 1.266 593 A HN 1.986 nan 8.150 nan 0.000 0.403 594 G N 1.082 109.970 108.800 0.147 0.000 2.696 594 G HA2 0.555 4.516 3.960 0.002 0.000 0.151 594 G HA3 0.555 4.516 3.960 0.002 0.000 0.151 594 G C -1.405 173.548 174.900 0.088 0.000 1.197 594 G CA -0.602 44.558 45.100 0.099 0.000 1.053 594 G HN 0.630 nan 8.290 nan 0.000 0.546 595 K N 0.476 120.908 120.400 0.054 0.000 2.463 595 K HA 0.545 4.867 4.320 0.002 0.000 0.255 595 K C 0.005 176.606 176.600 0.002 0.000 0.942 595 K CA -0.600 55.707 56.287 0.034 0.000 0.814 595 K CB 2.218 34.751 32.500 0.054 0.000 1.122 595 K HN 0.673 nan 8.250 nan 0.000 0.425 596 G N 2.731 111.529 108.800 -0.004 0.000 2.491 596 G HA2 0.090 4.051 3.960 0.002 0.000 0.238 596 G HA3 0.090 4.051 3.960 0.002 0.000 0.238 596 G C -0.026 174.956 174.900 0.136 0.000 1.277 596 G CA -0.327 44.791 45.100 0.031 0.000 0.851 596 G HN 0.375 nan 8.290 nan 0.000 0.573 597 R N 0.172 120.725 120.500 0.088 0.000 3.024 597 R HA 0.464 4.805 4.340 0.002 0.000 0.224 597 R C -0.434 175.845 176.300 -0.036 0.000 1.490 597 R CA -1.193 54.912 56.100 0.009 0.000 1.057 597 R CB -0.130 29.993 30.300 -0.295 0.000 1.723 597 R HN 0.306 nan 8.270 nan 0.000 0.520 598 L N 0.902 121.949 121.223 -0.293 0.000 2.349 598 L HA 0.193 4.535 4.340 0.002 0.000 0.275 598 L C -0.521 176.231 176.870 -0.196 0.000 1.115 598 L CA 0.099 54.744 54.840 -0.326 0.000 0.820 598 L CB 0.082 41.863 42.059 -0.463 0.000 1.135 598 L HN 0.351 nan 8.230 nan 0.000 0.445 599 W N 5.514 126.583 121.300 -0.385 0.000 2.278 599 W HA 0.426 5.088 4.660 0.002 0.000 0.317 599 W C -1.273 175.036 176.519 -0.349 0.000 1.030 599 W CA -1.974 55.151 57.345 -0.367 0.000 1.334 599 W CB 0.612 29.875 29.460 -0.328 0.000 1.215 599 W HN 0.452 nan 8.180 nan 0.000 0.405 600 P HA -0.239 nan 4.420 nan 0.000 0.221 600 P C 1.723 178.988 177.300 -0.058 0.000 1.145 600 P CA 1.003 63.941 63.100 -0.270 0.000 0.795 600 P CB 0.410 31.903 31.700 -0.345 0.000 0.775 601 L N -0.320 120.843 121.223 -0.099 0.000 2.042 601 L HA -0.149 4.192 4.340 0.002 0.000 0.210 601 L C 2.265 179.079 176.870 -0.093 0.000 1.076 601 L CA 1.844 56.588 54.840 -0.159 0.000 0.749 601 L CB -1.427 40.459 42.059 -0.290 0.000 0.893 601 L HN -0.143 nan 8.230 nan 0.000 0.432 602 L N -1.334 119.894 121.223 0.007 0.000 2.291 602 L HA -0.117 4.225 4.340 0.002 0.000 0.214 602 L C 2.241 179.146 176.870 0.058 0.000 1.120 602 L CA 1.116 55.960 54.840 0.007 0.000 0.799 602 L CB -0.965 41.138 42.059 0.073 0.000 0.925 602 L HN 0.283 nan 8.230 nan 0.000 0.446 603 T N -0.140 114.557 114.554 0.240 0.000 2.777 603 T HA -0.104 4.248 4.350 0.002 0.000 0.266 603 T C 1.893 176.734 174.700 0.234 0.000 1.040 603 T CA 1.409 63.776 62.100 0.446 0.000 1.141 603 T CB -0.366 68.826 68.868 0.540 0.000 0.868 603 T HN 0.542 nan 8.240 nan 0.000 0.444 604 G N 1.197 110.078 108.800 0.135 0.000 2.418 604 G HA2 -0.175 3.786 3.960 0.002 0.000 0.217 604 G HA3 -0.175 3.786 3.960 0.002 0.000 0.217 604 G C 1.467 176.335 174.900 -0.053 0.000 1.158 604 G CA 0.536 45.675 45.100 0.064 0.000 0.771 604 G HN 0.485 nan 8.290 nan 0.000 0.545 605 E N 0.003 120.145 120.200 -0.097 0.000 2.118 605 E HA -0.174 4.178 4.350 0.002 0.000 0.195 605 E C 2.595 179.054 176.600 -0.236 0.000 0.992 605 E CA 0.997 57.309 56.400 -0.147 0.000 0.804 605 E CB -0.057 29.550 29.700 -0.154 0.000 0.741 605 E HN 0.265 nan 8.360 nan 0.000 0.458 606 R N 0.869 121.148 120.500 -0.368 0.000 2.092 606 R HA -0.074 4.267 4.340 0.002 0.000 0.231 606 R C 2.180 178.133 176.300 -0.578 0.000 1.119 606 R CA 1.727 57.503 56.100 -0.540 0.000 0.970 606 R CB -1.003 28.782 30.300 -0.858 0.000 0.864 606 R HN 0.176 nan 8.270 nan 0.000 0.440 607 G N 0.333 108.783 108.800 -0.583 0.000 2.440 607 G HA2 -0.236 3.726 3.960 0.002 0.000 0.218 607 G HA3 -0.236 3.726 3.960 0.002 0.000 0.218 607 G C 1.284 176.030 174.900 -0.257 0.000 1.154 607 G CA 1.017 45.819 45.100 -0.495 0.000 0.767 607 G HN 0.227 nan 8.290 nan 0.000 0.552 608 M N -0.570 118.923 119.600 -0.178 0.000 2.229 608 M HA 0.052 4.533 4.480 0.002 0.000 0.264 608 M C 2.258 178.472 176.300 -0.144 0.000 1.063 608 M CA 0.575 55.797 55.300 -0.130 0.000 1.114 608 M CB -1.011 31.540 32.600 -0.082 0.000 1.387 608 M HN 0.485 nan 8.290 nan 0.000 0.420 609 Y N 1.775 121.935 120.300 -0.235 0.000 2.220 609 Y HA -0.153 4.398 4.550 0.002 0.000 0.291 609 Y C 2.161 177.965 175.900 -0.160 0.000 1.129 609 Y CA 1.561 59.537 58.100 -0.206 0.000 1.161 609 Y CB -0.055 38.242 38.460 -0.271 0.000 0.997 609 Y HN 0.147 nan 8.280 nan 0.000 0.522 610 E N 0.866 120.862 120.200 -0.340 0.000 2.085 610 E HA -0.228 4.123 4.350 0.002 0.000 0.194 610 E C 2.311 178.747 176.600 -0.273 0.000 0.994 610 E CA 1.755 57.979 56.400 -0.294 0.000 0.801 610 E CB -0.468 29.157 29.700 -0.124 0.000 0.743 610 E HN 0.648 nan 8.360 nan 0.000 0.453 611 I N 0.947 121.388 120.570 -0.216 0.000 2.226 611 I HA -0.248 3.923 4.170 0.002 0.000 0.245 611 I C 2.404 178.406 176.117 -0.192 0.000 1.100 611 I CA 1.070 62.279 61.300 -0.151 0.000 1.374 611 I CB -0.320 37.607 38.000 -0.122 0.000 1.057 611 I HN -0.002 nan 8.210 nan 0.000 0.413 612 A N 0.550 123.205 122.820 -0.275 0.000 2.015 612 A HA -0.013 4.309 4.320 0.002 0.000 0.219 612 A C 2.242 179.660 177.584 -0.277 0.000 1.163 612 A CA 1.532 53.414 52.037 -0.258 0.000 0.646 612 A CB -0.523 18.324 19.000 -0.255 0.000 0.806 612 A HN 0.427 nan 8.150 nan 0.000 0.448 613 A N -1.353 121.216 122.820 -0.419 0.000 2.302 613 A HA 0.441 4.762 4.320 0.002 0.000 0.219 613 A C 1.557 179.053 177.584 -0.147 0.000 1.243 613 A CA 0.891 52.742 52.037 -0.309 0.000 0.856 613 A CB -1.119 17.616 19.000 -0.441 0.000 0.893 613 A HN 1.810 nan 8.150 nan 0.000 0.491 614 G N -0.006 108.718 108.800 -0.127 0.000 2.221 614 G HA2 -0.256 3.705 3.960 0.002 0.000 0.265 614 G HA3 -0.256 3.705 3.960 0.002 0.000 0.265 614 G C 0.035 174.904 174.900 -0.050 0.000 1.041 614 G CA 0.797 45.853 45.100 -0.073 0.000 0.807 614 G HN 0.615 nan 8.290 nan 0.000 0.502 615 K N -0.626 119.745 120.400 -0.048 0.000 2.352 615 K HA 0.456 4.777 4.320 0.002 0.000 0.240 615 K C -0.860 175.761 176.600 0.036 0.000 1.017 615 K CA -1.137 55.151 56.287 0.003 0.000 0.851 615 K CB 1.335 33.852 32.500 0.028 0.000 1.261 615 K HN 0.045 nan 8.250 nan 0.000 0.451 616 D N 0.647 121.087 120.400 0.067 0.000 2.383 616 D HA 0.155 4.797 4.640 0.002 0.000 0.252 616 D C -0.071 176.319 176.300 0.151 0.000 1.166 616 D CA 0.074 54.128 54.000 0.090 0.000 0.879 616 D CB 1.244 42.088 40.800 0.072 0.000 1.164 616 D HN 0.584 nan 8.370 nan 0.000 0.462 617 A N 3.024 125.930 122.820 0.143 0.000 2.430 617 A HA 0.086 4.407 4.320 0.002 0.000 0.243 617 A C 1.891 179.615 177.584 0.233 0.000 1.254 617 A CA -0.066 52.133 52.037 0.270 0.000 0.914 617 A CB -0.041 19.026 19.000 0.112 0.000 0.998 617 A HN 0.604 nan 8.150 nan 0.000 0.515 618 T N 2.189 116.808 114.554 0.108 0.000 2.653 618 T HA -0.123 4.228 4.350 0.002 0.000 0.268 618 T C -0.219 174.501 174.700 0.034 0.000 1.035 618 T CA 2.126 64.257 62.100 0.053 0.000 1.154 618 T CB -0.955 67.926 68.868 0.023 0.000 0.862 618 T HN 0.515 nan 8.240 nan 0.000 0.441 619 P HA -0.088 nan 4.420 nan 0.000 0.220 619 P C 0.706 177.885 177.300 -0.202 0.000 1.148 619 P CA 1.247 64.248 63.100 -0.164 0.000 0.803 619 P CB -0.202 31.332 31.700 -0.277 0.000 0.782 620 Y N -0.384 119.965 120.300 0.081 0.000 2.337 620 Y HA -0.082 4.469 4.550 0.002 0.000 0.293 620 Y C 2.665 178.634 175.900 0.114 0.000 1.123 620 Y CA 0.606 58.776 58.100 0.118 0.000 1.201 620 Y CB -1.354 37.176 38.460 0.117 0.000 1.011 620 Y HN -0.266 nan 8.280 nan 0.000 0.545 621 V N 0.222 120.266 119.914 0.216 0.000 2.307 621 V HA -0.258 3.863 4.120 0.002 0.000 0.245 621 V C 2.281 178.506 176.094 0.217 0.000 1.045 621 V CA 1.686 64.106 62.300 0.201 0.000 1.024 621 V CB -0.403 31.498 31.823 0.130 0.000 0.651 621 V HN 0.288 nan 8.190 nan 0.000 0.449 622 K N 0.354 120.817 120.400 0.106 0.000 2.097 622 K HA -0.061 4.261 4.320 0.002 0.000 0.206 622 K C 2.287 178.862 176.600 -0.042 0.000 1.049 622 K CA 1.514 57.823 56.287 0.037 0.000 0.933 622 K CB -0.782 31.709 32.500 -0.015 0.000 0.717 622 K HN 0.472 nan 8.250 nan 0.000 0.442 623 A N 1.435 124.217 122.820 -0.063 0.000 1.902 623 A HA -0.152 4.170 4.320 0.002 0.000 0.217 623 A C 2.288 179.741 177.584 -0.218 0.000 1.181 623 A CA 1.685 53.590 52.037 -0.219 0.000 0.623 623 A CB -0.441 18.512 19.000 -0.078 0.000 0.818 623 A HN 0.208 nan 8.150 nan 0.000 0.443 624 M N -0.959 118.714 119.600 0.122 0.000 2.159 624 M HA -0.177 4.304 4.480 0.002 0.000 0.263 624 M C 2.031 178.349 176.300 0.030 0.000 1.063 624 M CA 1.700 57.138 55.300 0.231 0.000 1.110 624 M CB -0.548 32.257 32.600 0.342 0.000 1.374 624 M HN 0.509 nan 8.290 nan 0.000 0.411 625 E N 0.557 120.748 120.200 -0.015 0.000 2.077 625 E HA -0.193 4.159 4.350 0.002 0.000 0.193 625 E C 1.918 178.441 176.600 -0.127 0.000 0.989 625 E CA 1.189 57.517 56.400 -0.120 0.000 0.800 625 E CB -0.070 29.605 29.700 -0.041 0.000 0.746 625 E HN 0.497 nan 8.360 nan 0.000 0.452 626 K N 0.012 120.303 120.400 -0.181 0.000 2.217 626 K HA -0.064 4.258 4.320 0.002 0.000 0.202 626 K C 1.796 178.279 176.600 -0.194 0.000 1.051 626 K CA 0.845 56.997 56.287 -0.225 0.000 0.952 626 K CB -0.082 32.223 32.500 -0.325 0.000 0.736 626 K HN 0.131 nan 8.250 nan 0.000 0.453 627 F N 1.785 121.694 119.950 -0.068 0.000 2.407 627 F HA -0.023 4.505 4.527 0.002 0.000 0.299 627 F C 1.342 177.076 175.800 -0.110 0.000 1.097 627 F CA -0.535 57.414 58.000 -0.085 0.000 1.422 627 F CB -0.007 38.937 39.000 -0.093 0.000 1.067 627 F HN -0.055 nan 8.300 nan 0.000 0.539 628 A N 1.447 124.285 122.820 0.030 0.000 2.445 628 A HA 0.160 4.482 4.320 0.002 0.000 0.242 628 A C 0.215 177.790 177.584 -0.015 0.000 1.075 628 A CA -0.524 51.490 52.037 -0.037 0.000 0.777 628 A CB -0.060 18.878 19.000 -0.103 0.000 1.013 628 A HN 0.411 nan 8.150 nan 0.000 0.493 629 N N 0.299 118.991 118.700 -0.013 0.000 2.418 629 N HA 0.060 4.801 4.740 0.002 0.000 0.283 629 N C 0.709 176.218 175.510 -0.003 0.000 1.267 629 N CA 0.171 53.218 53.050 -0.005 0.000 0.975 629 N CB 0.101 38.583 38.487 -0.009 0.000 1.167 629 N HN 0.746 nan 8.380 nan 0.000 0.581 630 E N -1.296 118.906 120.200 0.004 0.000 2.160 630 E HA -0.133 4.219 4.350 0.002 0.000 0.195 630 E C 1.282 177.899 176.600 0.028 0.000 0.991 630 E CA 1.344 57.752 56.400 0.012 0.000 0.810 630 E CB -0.695 29.015 29.700 0.017 0.000 0.742 630 E HN 0.789 nan 8.360 nan 0.000 0.466 631 G N -0.674 108.145 108.800 0.032 0.000 3.088 631 G HA2 0.145 4.106 3.960 0.002 0.000 0.212 631 G HA3 0.145 4.106 3.960 0.002 0.000 0.212 631 G C 0.963 175.898 174.900 0.058 0.000 1.173 631 G CA 0.179 45.322 45.100 0.072 0.000 0.779 631 G HN 0.483 nan 8.290 nan 0.000 0.540 632 G N -0.139 108.673 108.800 0.021 0.000 2.160 632 G HA2 -0.274 3.687 3.960 0.002 0.000 0.251 632 G HA3 -0.274 3.687 3.960 0.002 0.000 0.251 632 G C 0.227 175.163 174.900 0.060 0.000 1.008 632 G CA 0.217 45.319 45.100 0.004 0.000 0.724 632 G HN 0.483 nan 8.290 nan 0.000 0.514 633 I N 0.628 121.234 120.570 0.060 0.000 2.359 633 I HA 0.461 4.632 4.170 0.002 0.000 0.294 633 I C 0.642 176.799 176.117 0.065 0.000 0.987 633 I CA -0.936 60.447 61.300 0.139 0.000 1.225 633 I CB 1.340 39.362 38.000 0.038 0.000 1.366 633 I HN -0.027 nan 8.210 nan 0.000 0.466 634 I N 5.522 126.126 120.570 0.057 0.000 2.336 634 I HA 0.208 4.379 4.170 0.002 0.000 0.292 634 I C 0.530 176.531 176.117 -0.194 0.000 0.991 634 I CA -0.230 60.931 61.300 -0.231 0.000 1.227 634 I CB 1.568 39.221 38.000 -0.579 0.000 1.366 634 I HN 0.605 nan 8.210 nan 0.000 0.466 635 S N 3.789 119.345 115.700 -0.240 0.000 2.693 635 S HA 0.219 4.691 4.470 0.002 0.000 0.276 635 S C 0.904 175.227 174.600 -0.461 0.000 1.192 635 S CA -0.566 57.435 58.200 -0.332 0.000 0.994 635 S CB 1.798 64.787 63.200 -0.351 0.000 1.012 635 S HN 0.775 nan 8.310 nan 0.000 0.550 636 E N 0.442 120.280 120.200 -0.603 0.000 2.072 636 E HA -0.117 4.234 4.350 0.002 0.000 0.191 636 E C 0.156 176.057 176.600 -1.164 0.000 0.985 636 E CA 0.944 56.811 56.400 -0.888 0.000 0.801 636 E CB 0.090 29.196 29.700 -0.990 0.000 0.750 636 E HN 0.766 nan 8.360 nan 0.000 0.452 637 Q N -0.092 119.143 119.800 -0.941 0.000 2.421 637 Q HA 0.488 4.829 4.340 0.002 0.000 0.280 637 Q C -1.223 174.397 176.000 -0.633 0.000 1.085 637 Q CA -0.870 54.424 55.803 -0.849 0.000 0.807 637 Q CB 2.943 31.195 28.738 -0.811 0.000 1.405 637 Q HN 0.101 nan 8.270 nan 0.000 0.419 638 V N -2.800 116.773 119.914 -0.568 0.000 3.040 638 V HA 0.645 4.766 4.120 0.002 0.000 0.312 638 V C -1.336 174.541 176.094 -0.362 0.000 1.115 638 V CA -1.137 60.901 62.300 -0.437 0.000 0.998 638 V CB 1.187 32.784 31.823 -0.376 0.000 1.042 638 V HN 0.772 nan 8.190 nan 0.000 0.433 639 W N 1.100 122.332 121.300 -0.114 0.000 2.170 639 W HA 0.486 5.147 4.660 0.002 0.000 0.336 639 W C 1.320 177.797 176.519 -0.070 0.000 1.283 639 W CA 0.223 57.527 57.345 -0.068 0.000 1.224 639 W CB 0.463 29.905 29.460 -0.030 0.000 1.132 639 W HN 0.747 nan 8.180 nan 0.000 0.571 640 E N 0.945 121.264 120.200 0.199 0.000 2.106 640 E HA -0.232 4.120 4.350 0.002 0.000 0.192 640 E C 1.805 178.461 176.600 0.094 0.000 0.984 640 E CA 1.719 58.166 56.400 0.078 0.000 0.806 640 E CB -0.194 29.556 29.700 0.083 0.000 0.750 640 E HN 0.505 nan 8.360 nan 0.000 0.458 641 D N -0.287 120.188 120.400 0.124 0.000 2.149 641 D HA -0.116 4.526 4.640 0.002 0.000 0.201 641 D C 1.780 178.112 176.300 0.052 0.000 0.972 641 D CA 1.934 55.972 54.000 0.063 0.000 0.835 641 D CB -0.529 40.286 40.800 0.026 0.000 0.966 641 D HN 0.330 nan 8.370 nan 0.000 0.476 642 T N -5.117 109.490 114.554 0.089 0.000 2.978 642 T HA 0.411 4.762 4.350 0.002 0.000 0.248 642 T C 1.798 176.574 174.700 0.126 0.000 1.018 642 T CA 0.671 62.816 62.100 0.074 0.000 1.026 642 T CB 0.326 69.220 68.868 0.042 0.000 1.032 642 T HN 0.382 nan 8.240 nan 0.000 0.485 643 G N 1.639 110.557 108.800 0.197 0.000 2.159 643 G HA2 -0.202 3.759 3.960 0.002 0.000 0.256 643 G HA3 -0.202 3.759 3.960 0.002 0.000 0.256 643 G C -0.042 175.023 174.900 0.276 0.000 0.977 643 G CA 0.308 45.581 45.100 0.289 0.000 0.652 643 G HN 0.650 nan 8.290 nan 0.000 0.531 644 L N 0.855 122.219 121.223 0.235 0.000 2.439 644 L HA 0.423 4.765 4.340 0.002 0.000 0.261 644 L C -1.631 175.358 176.870 0.198 0.000 1.153 644 L CA -2.239 52.725 54.840 0.207 0.000 0.808 644 L CB 0.611 42.780 42.059 0.183 0.000 1.126 644 L HN -0.121 nan 8.230 nan 0.000 0.460 645 P HA 0.018 nan 4.420 nan 0.000 0.267 645 P C -0.385 176.894 177.300 -0.034 0.000 1.200 645 P CA -0.136 62.929 63.100 -0.058 0.000 0.772 645 P CB 0.514 32.173 31.700 -0.069 0.000 0.855 646 T N -1.915 112.441 114.554 -0.329 0.000 2.902 646 T HA 0.251 4.602 4.350 0.002 0.000 0.287 646 T C 0.488 175.051 174.700 -0.228 0.000 1.048 646 T CA -0.283 61.582 62.100 -0.391 0.000 0.941 646 T CB 0.264 68.621 68.868 -0.851 0.000 1.432 646 T HN 0.190 nan 8.240 nan 0.000 0.586 647 D N 0.505 120.805 120.400 -0.167 0.000 2.434 647 D HA 0.186 4.828 4.640 0.002 0.000 0.232 647 D C 0.712 176.426 176.300 -0.977 0.000 1.166 647 D CA -0.302 53.515 54.000 -0.305 0.000 0.830 647 D CB -0.582 40.228 40.800 0.016 0.000 0.960 647 D HN 0.616 nan 8.370 nan 0.000 0.497 648 S N -0.886 114.218 115.700 -0.993 0.000 2.634 648 S HA 0.605 5.077 4.470 0.002 0.000 0.261 648 S C 0.676 174.652 174.600 -1.041 0.000 1.271 648 S CA -0.700 56.645 58.200 -1.425 0.000 0.985 648 S CB 1.126 63.708 63.200 -1.029 0.000 0.968 648 S HN 0.233 nan 8.310 nan 0.000 0.568 649 A N 0.923 123.089 122.820 -1.091 0.000 2.561 649 A HA 0.487 4.809 4.320 0.002 0.000 0.234 649 A C 0.596 177.855 177.584 -0.543 0.000 1.055 649 A CA 0.257 51.787 52.037 -0.846 0.000 0.756 649 A CB -0.818 17.458 19.000 -1.207 0.000 0.986 649 A HN 1.888 nan 8.150 nan 0.000 0.505 650 S N 1.980 117.460 115.700 -0.367 0.000 2.548 650 S HA 0.679 5.151 4.470 0.002 0.000 0.278 650 S C -3.486 171.026 174.600 -0.147 0.000 1.150 650 S CA -1.200 56.864 58.200 -0.227 0.000 0.907 650 S CB 1.885 64.955 63.200 -0.218 0.000 1.108 650 S HN 0.385 nan 8.310 nan 0.000 0.459 651 P HA 0.363 nan 4.420 nan 0.000 0.279 651 P C -0.919 176.392 177.300 0.019 0.000 1.239 651 P CA -0.617 62.488 63.100 0.009 0.000 0.789 651 P CB 0.430 32.133 31.700 0.006 0.000 0.933 652 L N 3.965 125.201 121.223 0.023 0.000 2.282 652 L HA 0.234 4.575 4.340 0.002 0.000 0.287 652 L C 1.073 178.044 176.870 0.168 0.000 1.075 652 L CA 0.160 55.018 54.840 0.029 0.000 0.839 652 L CB -0.647 41.350 42.059 -0.105 0.000 1.219 652 L HN 0.174 nan 8.230 nan 0.000 0.434 653 N N 3.701 122.512 118.700 0.186 0.000 2.132 653 N HA -0.279 4.462 4.740 0.002 0.000 0.191 653 N C 1.209 176.879 175.510 0.266 0.000 1.015 653 N CA 1.472 54.641 53.050 0.198 0.000 0.864 653 N CB -0.435 38.135 38.487 0.139 0.000 1.006 653 N HN 0.820 nan 8.380 nan 0.000 0.430 654 W N 2.053 123.389 121.300 0.061 0.000 2.358 654 W HA 0.028 4.689 4.660 0.002 0.000 0.303 654 W C 2.229 178.760 176.519 0.021 0.000 1.208 654 W CA 1.580 58.956 57.345 0.053 0.000 1.274 654 W CB -0.889 28.612 29.460 0.069 0.000 1.138 654 W HN 0.089 nan 8.180 nan 0.000 0.515 655 A N -0.781 122.091 122.820 0.085 0.000 1.969 655 A HA -0.208 4.113 4.320 0.002 0.000 0.218 655 A C 1.971 179.528 177.584 -0.045 0.000 1.169 655 A CA 1.638 53.614 52.037 -0.101 0.000 0.635 655 A CB -1.184 17.687 19.000 -0.215 0.000 0.810 655 A HN 0.433 nan 8.150 nan 0.000 0.445 656 H N -0.568 118.534 119.070 0.053 0.000 2.395 656 H HA 0.012 4.569 4.556 0.002 0.000 0.299 656 H C 2.584 177.966 175.328 0.091 0.000 1.070 656 H CA 1.327 57.409 56.048 0.055 0.000 1.356 656 H CB -0.259 29.496 29.762 -0.011 0.000 1.401 656 H HN 0.525 nan 8.280 nan 0.000 0.524 657 A N 1.098 124.031 122.820 0.189 0.000 1.877 657 A HA -0.210 4.111 4.320 0.002 0.000 0.216 657 A C 2.359 180.023 177.584 0.133 0.000 1.186 657 A CA 1.916 54.020 52.037 0.111 0.000 0.620 657 A CB -0.354 18.715 19.000 0.115 0.000 0.822 657 A HN 0.339 nan 8.150 nan 0.000 0.443 658 E N -1.070 119.228 120.200 0.163 0.000 2.085 658 E HA -0.231 4.120 4.350 0.002 0.000 0.194 658 E C 1.752 178.401 176.600 0.082 0.000 0.994 658 E CA 1.775 58.236 56.400 0.103 0.000 0.801 658 E CB -0.541 29.180 29.700 0.036 0.000 0.743 658 E HN 0.701 nan 8.360 nan 0.000 0.453 659 Y N -0.183 120.130 120.300 0.021 0.000 2.181 659 Y HA -0.217 4.334 4.550 0.002 0.000 0.288 659 Y C 2.029 177.985 175.900 0.093 0.000 1.146 659 Y CA 1.809 59.931 58.100 0.037 0.000 1.164 659 Y CB -0.297 38.156 38.460 -0.013 0.000 0.982 659 Y HN -0.049 nan 8.280 nan 0.000 0.515 660 V N 0.826 120.795 119.914 0.092 0.000 2.255 660 V HA -0.358 3.764 4.120 0.002 0.000 0.247 660 V C 2.371 178.480 176.094 0.025 0.000 1.051 660 V CA 2.347 64.711 62.300 0.107 0.000 1.018 660 V CB -0.690 31.224 31.823 0.152 0.000 0.641 660 V HN 0.480 nan 8.190 nan 0.000 0.445 661 I N -0.642 119.934 120.570 0.009 0.000 2.286 661 I HA -0.234 3.937 4.170 0.002 0.000 0.248 661 I C 2.376 178.435 176.117 -0.098 0.000 1.115 661 I CA 1.307 62.595 61.300 -0.020 0.000 1.392 661 I CB -0.346 37.658 38.000 0.007 0.000 1.065 661 I HN 0.313 nan 8.210 nan 0.000 0.418 662 L N 0.487 121.638 121.223 -0.120 0.000 2.027 662 L HA -0.209 4.133 4.340 0.002 0.000 0.206 662 L C 2.323 179.047 176.870 -0.243 0.000 1.074 662 L CA 1.723 56.471 54.840 -0.154 0.000 0.745 662 L CB -0.789 41.203 42.059 -0.112 0.000 0.898 662 L HN 0.166 nan 8.230 nan 0.000 0.433 663 F N 0.451 120.085 119.950 -0.525 0.000 2.095 663 F HA -0.213 4.315 4.527 0.002 0.000 0.298 663 F C 2.240 177.689 175.800 -0.585 0.000 1.104 663 F CA 1.819 59.459 58.000 -0.601 0.000 1.232 663 F CB -0.692 37.829 39.000 -0.798 0.000 0.987 663 F HN 0.146 nan 8.300 nan 0.000 0.475 664 A N -0.712 121.723 122.820 -0.641 0.000 1.897 664 A HA -0.103 4.219 4.320 0.002 0.000 0.215 664 A C 2.343 179.615 177.584 -0.520 0.000 1.181 664 A CA 1.735 53.259 52.037 -0.856 0.000 0.620 664 A CB -1.233 17.469 19.000 -0.496 0.000 0.821 664 A HN 0.418 nan 8.150 nan 0.000 0.443 665 S N -0.064 115.438 115.700 -0.330 0.000 2.382 665 S HA -0.167 4.304 4.470 0.002 0.000 0.228 665 S C 1.898 176.318 174.600 -0.300 0.000 1.027 665 S CA 1.209 59.265 58.200 -0.241 0.000 0.991 665 S CB -0.525 62.578 63.200 -0.162 0.000 0.823 665 S HN 0.762 nan 8.310 nan 0.000 0.469 666 N N 0.568 119.053 118.700 -0.358 0.000 2.381 666 N HA 0.006 4.747 4.740 0.002 0.000 0.182 666 N C 1.511 176.687 175.510 -0.557 0.000 1.025 666 N CA 0.663 53.503 53.050 -0.351 0.000 0.888 666 N CB 0.007 38.325 38.487 -0.281 0.000 0.965 666 N HN 0.392 nan 8.380 nan 0.000 0.438 667 I N 0.680 120.869 120.570 -0.636 0.000 2.429 667 I HA -0.079 4.093 4.170 0.002 0.000 0.247 667 I C 1.729 177.480 176.117 -0.610 0.000 1.099 667 I CA 0.600 61.514 61.300 -0.643 0.000 1.422 667 I CB -0.039 37.571 38.000 -0.649 0.000 1.112 667 I HN -0.006 nan 8.210 nan 0.000 0.430 668 E N -0.066 119.890 120.200 -0.407 0.000 2.427 668 E HA -0.107 4.244 4.350 0.002 0.000 0.196 668 E C -0.147 176.365 176.600 -0.146 0.000 1.028 668 E CA 0.385 56.658 56.400 -0.211 0.000 0.864 668 E CB -0.210 29.433 29.700 -0.096 0.000 0.813 668 E HN 0.402 nan 8.360 nan 0.000 0.514 669 H N 0.201 119.203 119.070 -0.113 0.000 2.819 669 H HA -0.170 4.387 4.556 0.002 0.000 0.315 669 H C -0.082 175.186 175.328 -0.101 0.000 1.242 669 H CA 1.461 57.448 56.048 -0.101 0.000 1.157 669 H CB -1.939 27.776 29.762 -0.079 0.000 1.451 669 H HN 0.349 nan 8.280 nan 0.000 0.430 670 K N -2.802 117.570 120.400 -0.048 0.000 2.639 670 K HA 0.421 4.742 4.320 0.002 0.000 0.279 670 K C -0.834 175.706 176.600 -0.100 0.000 0.976 670 K CA -0.897 55.344 56.287 -0.077 0.000 0.861 670 K CB 1.208 33.666 32.500 -0.069 0.000 1.436 670 K HN -0.079 nan 8.250 nan 0.000 0.400 671 V N 3.882 123.726 119.914 -0.117 0.000 2.359 671 V HA 0.006 4.128 4.120 0.002 0.000 0.248 671 V C 1.645 177.695 176.094 -0.073 0.000 1.091 671 V CA -0.061 62.180 62.300 -0.099 0.000 1.103 671 V CB -0.661 31.098 31.823 -0.107 0.000 1.176 671 V HN 0.701 nan 8.190 nan 0.000 0.488 672 L N 2.882 124.072 121.223 -0.056 0.000 2.187 672 L HA -0.137 4.205 4.340 0.002 0.000 0.213 672 L C 1.848 178.713 176.870 -0.007 0.000 1.100 672 L CA 1.409 56.233 54.840 -0.027 0.000 0.765 672 L CB -0.245 41.807 42.059 -0.011 0.000 0.904 672 L HN 0.814 nan 8.230 nan 0.000 0.437 673 D N -1.583 118.814 120.400 -0.005 0.000 2.368 673 D HA 0.006 4.647 4.640 0.002 0.000 0.218 673 D C 0.647 176.975 176.300 0.047 0.000 1.112 673 D CA -0.148 53.859 54.000 0.012 0.000 0.834 673 D CB -0.009 40.787 40.800 -0.006 0.000 0.953 673 D HN 0.161 nan 8.370 nan 0.000 0.505 674 M N 2.218 121.836 119.600 0.030 0.000 2.120 674 M HA 0.285 4.767 4.480 0.002 0.000 0.354 674 M C -2.422 173.931 176.300 0.087 0.000 1.287 674 M CA -1.813 53.518 55.300 0.053 0.000 1.103 674 M CB 1.195 33.789 32.600 -0.011 0.000 1.623 674 M HN -0.258 nan 8.290 nan 0.000 0.471 675 P HA 0.050 nan 4.420 nan 0.000 0.269 675 P C -0.553 176.837 177.300 0.150 0.000 1.263 675 P CA -0.067 63.147 63.100 0.189 0.000 0.813 675 P CB 0.218 32.011 31.700 0.155 0.000 0.868 676 D N 3.907 124.408 120.400 0.168 0.000 2.149 676 D HA -0.232 4.409 4.640 0.002 0.000 0.194 676 D C 1.650 178.024 176.300 0.124 0.000 1.001 676 D CA 1.134 55.229 54.000 0.159 0.000 0.849 676 D CB -0.661 40.220 40.800 0.135 0.000 0.939 676 D HN 0.167 nan 8.370 nan 0.000 0.449 677 I N 0.599 121.172 120.570 0.004 0.000 2.194 677 I HA -0.216 3.955 4.170 0.002 0.000 0.246 677 I C 2.524 178.577 176.117 -0.105 0.000 1.093 677 I CA 0.698 61.917 61.300 -0.134 0.000 1.355 677 I CB -0.722 36.993 38.000 -0.475 0.000 1.046 677 I HN 0.032 nan 8.210 nan 0.000 0.413 678 V N 0.034 119.920 119.914 -0.047 0.000 2.323 678 V HA -0.302 3.819 4.120 0.002 0.000 0.244 678 V C 2.345 178.511 176.094 0.121 0.000 1.041 678 V CA 1.677 64.015 62.300 0.064 0.000 1.025 678 V CB -1.024 30.888 31.823 0.147 0.000 0.656 678 V HN 0.335 nan 8.190 nan 0.000 0.451 679 Y N 1.502 121.825 120.300 0.038 0.000 2.081 679 Y HA -0.293 4.259 4.550 0.002 0.000 0.280 679 Y C 2.507 178.412 175.900 0.007 0.000 1.163 679 Y CA 2.062 60.189 58.100 0.046 0.000 1.135 679 Y CB -0.302 38.178 38.460 0.034 0.000 0.970 679 Y HN 0.121 nan 8.280 nan 0.000 0.498 680 K N -0.283 120.080 120.400 -0.062 0.000 2.280 680 K HA -0.172 4.150 4.320 0.002 0.000 0.202 680 K C 2.282 178.739 176.600 -0.237 0.000 1.047 680 K CA 1.215 57.401 56.287 -0.168 0.000 0.942 680 K CB -0.106 32.387 32.500 -0.013 0.000 0.739 680 K HN 0.311 nan 8.250 nan 0.000 0.457 681 R N -0.719 119.597 120.500 -0.308 0.000 2.189 681 R HA -0.023 4.319 4.340 0.002 0.000 0.203 681 R C 0.840 176.803 176.300 -0.562 0.000 1.012 681 R CA 0.887 56.686 56.100 -0.502 0.000 1.015 681 R CB 0.368 30.205 30.300 -0.772 0.000 0.938 681 R HN 0.161 nan 8.270 nan 0.000 0.472 682 Y N -2.272 117.959 120.300 -0.116 0.000 2.512 682 Y HA 0.200 4.752 4.550 0.002 0.000 0.268 682 Y C 1.621 177.438 175.900 -0.139 0.000 1.102 682 Y CA -0.153 57.891 58.100 -0.095 0.000 1.261 682 Y CB 0.758 39.191 38.460 -0.044 0.000 1.250 682 Y HN -0.202 nan 8.280 nan 0.000 0.506 683 V N -0.693 119.142 119.914 -0.132 0.000 3.048 683 V HA 0.321 4.442 4.120 0.002 0.000 0.241 683 V C 1.516 177.327 176.094 -0.472 0.000 1.129 683 V CA 0.329 62.482 62.300 -0.245 0.000 1.128 683 V CB -0.720 31.012 31.823 -0.152 0.000 0.849 683 V HN 0.204 nan 8.190 nan 0.000 0.475 684 A N 0.000 122.293 122.820 -0.878 0.000 2.254 684 A HA 0.000 4.321 4.320 0.002 0.000 0.244 684 A CA 0.000 51.665 52.037 -0.619 0.000 0.836 684 A CB 0.000 18.710 19.000 -0.482 0.000 0.831 684 A HN 0.000 nan 8.150 nan 0.000 0.486