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 1qrt_1_A DATA FIRST_RESID 8 DATA SEQUENCE TNFIRQIIDE DLASGKHTTV HTRFPPEPNG YLHIGHAKSI CLNFGIAQDY DATA SEQUENCE KGQCNLRFDD TNPVKEDIEY VESIKNDVEW LGFHWSGNVR YSSDYFDQLH DATA SEQUENCE AYAIELINKG LAYVDELTPE QIREYRGTLT QPGKNSPYRD RSVEENLALF DATA SEQUENCE EKMRAGGFEE GKACLRAKID MASPFIVMRD PVLYRIKFAE HHQTGNKWCI DATA SEQUENCE YPMYDFTHCI SDALEGITHS LCTLEFQGNR RLYDWVLDNI TIPVHPRQYE DATA SEQUENCE FSRLNLEYTV MSKRKLNLLV TDKHVEGWDD PRMPTISGLR RRGYTAASIR DATA SEQUENCE EFCKRIGVTK QDNTIEMASL ESCIREDLNE NAPRAMAVID PVKLVIENYQ DATA SEQUENCE GEGEMVTMPN HPNKPEMGSR QVPFSGEIWI DRADFREEAN KQYKRLVLGK DATA SEQUENCE EVRLRNAYVI KAERVEKDAE GNITTIFCTY DADTLXXXXX XXXXXXGVIH DATA SEQUENCE WVSAAHALPV EIRLYDRLFS VPNPGAADDF LSVINPESLV IKQGFAEPSL DATA SEQUENCE KDAVAGKAFQ FEREGYFCLD SRHSTAEKPV FNRTVGLRDT 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.694 174.700 -0.010 0.000 1.109 8 T CA 0.000 62.090 62.100 -0.016 0.000 1.349 8 T CB 0.000 68.865 68.868 -0.005 0.000 0.612 9 N N 1.475 120.161 118.700 -0.023 0.000 2.972 9 N HA 0.417 nan 4.740 nan 0.000 0.262 9 N C 0.091 175.607 175.510 0.011 0.000 1.478 9 N CA -0.928 52.132 53.050 0.016 0.000 0.841 9 N CB 1.974 40.447 38.487 -0.023 0.000 1.512 9 N HN -0.317 8.035 8.380 -0.047 0.000 0.548 10 F N -2.830 117.097 119.950 -0.038 0.000 2.250 10 F HA -0.177 nan 4.527 nan 0.000 0.301 10 F C 1.153 176.895 175.800 -0.097 0.000 1.077 10 F CA 2.337 60.310 58.000 -0.045 0.000 1.348 10 F CB -0.069 38.923 39.000 -0.012 0.000 1.040 10 F HN 0.385 8.970 8.300 0.475 0.000 0.509 11 I N 0.593 120.596 120.570 -0.945 0.000 2.406 11 I HA -0.504 nan 4.170 nan 0.000 0.249 11 I C 1.807 177.623 176.117 -0.502 0.000 1.122 11 I CA 3.421 64.210 61.300 -0.851 0.000 1.431 11 I CB -0.423 37.065 38.000 -0.853 0.000 1.087 11 I HN -0.546 7.220 8.210 -0.947 -0.124 0.424 12 R N -0.703 119.599 120.500 -0.330 0.000 2.148 12 R HA -0.330 nan 4.340 nan 0.000 0.227 12 R C 2.670 178.896 176.300 -0.124 0.000 1.103 12 R CA 3.778 59.768 56.100 -0.184 0.000 0.983 12 R CB -0.441 29.833 30.300 -0.043 0.000 0.874 12 R HN 0.124 8.553 8.270 -0.314 -0.348 0.451 13 Q N -0.262 119.470 119.800 -0.112 0.000 2.230 13 Q HA -0.230 nan 4.340 nan 0.000 0.202 13 Q C 2.445 178.396 176.000 -0.082 0.000 0.963 13 Q CA 3.175 58.947 55.803 -0.053 0.000 0.866 13 Q CB -0.224 28.512 28.738 -0.003 0.000 0.931 13 Q HN -0.168 7.909 8.270 -0.132 0.114 0.452 14 I N 0.983 121.450 120.570 -0.172 0.000 2.233 14 I HA -0.453 nan 4.170 nan 0.000 0.243 14 I C 1.510 177.520 176.117 -0.178 0.000 1.093 14 I CA 4.164 65.348 61.300 -0.194 0.000 1.380 14 I CB 0.073 37.819 38.000 -0.425 0.000 1.067 14 I HN -0.687 7.259 8.210 -0.232 0.125 0.413 15 I N 0.173 120.546 120.570 -0.329 0.000 2.286 15 I HA -0.633 nan 4.170 nan 0.000 0.248 15 I C 1.679 177.685 176.117 -0.185 0.000 1.115 15 I CA 4.505 65.562 61.300 -0.404 0.000 1.392 15 I CB -0.605 36.929 38.000 -0.776 0.000 1.065 15 I HN 0.058 8.029 8.210 -0.398 0.000 0.418 16 D N 0.208 120.556 120.400 -0.086 0.000 2.097 16 D HA -0.278 nan 4.640 nan 0.000 0.195 16 D C 2.539 178.853 176.300 0.023 0.000 0.989 16 D CA 3.783 57.799 54.000 0.027 0.000 0.827 16 D CB -0.632 40.197 40.800 0.049 0.000 0.966 16 D HN 0.041 8.148 8.370 -0.109 0.197 0.456 17 E N 0.121 120.326 120.200 0.008 0.000 2.038 17 E HA -0.425 nan 4.350 nan 0.000 0.195 17 E C 2.397 179.020 176.600 0.038 0.000 1.000 17 E CA 3.149 59.562 56.400 0.022 0.000 0.803 17 E CB -0.129 29.583 29.700 0.020 0.000 0.750 17 E HN -0.430 7.922 8.360 -0.013 0.000 0.448 18 D N 0.155 120.593 120.400 0.064 0.000 2.116 18 D HA -0.289 nan 4.640 nan 0.000 0.193 18 D C 2.444 178.802 176.300 0.096 0.000 0.998 18 D CA 3.343 57.413 54.000 0.116 0.000 0.836 18 D CB -0.447 40.544 40.800 0.318 0.000 0.951 18 D HN -0.101 8.300 8.370 0.052 0.000 0.449 19 L N -1.271 120.007 121.223 0.091 0.000 1.994 19 L HA -0.287 nan 4.340 nan 0.000 0.208 19 L C 2.752 179.657 176.870 0.058 0.000 1.071 19 L CA 2.906 57.797 54.840 0.086 0.000 0.745 19 L CB -0.974 41.139 42.059 0.089 0.000 0.892 19 L HN -0.271 8.001 8.230 0.069 0.000 0.431 20 A N -0.719 122.130 122.820 0.048 0.000 1.883 20 A HA -0.297 nan 4.320 nan 0.000 0.217 20 A C 1.897 179.494 177.584 0.022 0.000 1.186 20 A CA 2.887 54.944 52.037 0.034 0.000 0.624 20 A CB -0.513 18.505 19.000 0.030 0.000 0.822 20 A HN 0.218 8.398 8.150 0.051 0.000 0.444 21 S N -2.813 112.898 115.700 0.017 0.000 2.555 21 S HA -0.118 nan 4.470 nan 0.000 0.230 21 S C 0.935 175.531 174.600 -0.006 0.000 0.978 21 S CA 0.335 58.538 58.200 0.004 0.000 0.934 21 S CB 0.610 63.809 63.200 -0.002 0.000 0.766 21 S HN 0.275 8.487 8.310 0.023 0.112 0.533 22 G N 1.726 110.528 108.800 0.002 0.000 2.147 22 G HA2 -0.392 nan 3.960 nan 0.000 0.244 22 G HA3 -0.392 nan 3.960 nan 0.000 0.244 22 G C 0.078 174.951 174.900 -0.045 0.000 1.005 22 G CA 0.244 45.341 45.100 -0.005 0.000 0.713 22 G HN -0.276 7.813 8.290 0.018 0.212 0.515 23 K N -0.078 120.273 120.400 -0.081 0.000 2.103 23 K HA -0.200 nan 4.320 nan 0.000 0.204 23 K C -0.244 176.126 176.600 -0.383 0.000 1.052 23 K CA 1.849 57.994 56.287 -0.236 0.000 0.945 23 K CB 0.946 33.285 32.500 -0.268 0.000 0.722 23 K HN 0.136 8.332 8.250 -0.040 0.030 0.443 24 H N -4.567 114.515 119.070 0.021 0.000 2.907 24 H HA 0.217 nan 4.556 nan 0.000 0.361 24 H C -1.201 174.144 175.328 0.029 0.000 1.194 24 H CA -0.847 55.216 56.048 0.025 0.000 1.152 24 H CB 3.100 32.892 29.762 0.049 0.000 1.867 24 H HN -0.730 7.565 8.280 0.025 0.000 0.561 25 T N -5.281 109.379 114.554 0.176 0.000 2.987 25 T HA 0.104 nan 4.350 nan 0.000 0.248 25 T C -0.030 174.727 174.700 0.096 0.000 0.997 25 T CA 0.298 62.461 62.100 0.104 0.000 1.013 25 T CB 0.750 69.661 68.868 0.071 0.000 1.077 25 T HN -0.016 8.346 8.240 0.205 0.000 0.483 26 T N 4.656 119.267 114.554 0.096 0.000 2.916 26 T HA 0.288 nan 4.350 nan 0.000 0.292 26 T C -1.609 173.101 174.700 0.016 0.000 1.064 26 T CA -1.102 61.029 62.100 0.052 0.000 1.011 26 T CB 2.442 71.329 68.868 0.032 0.000 1.152 26 T HN -0.399 7.915 8.240 0.124 0.000 0.510 27 V N -2.239 117.664 119.914 -0.019 0.000 2.487 27 V HA 0.623 nan 4.120 nan 0.000 0.298 27 V C -2.153 173.944 176.094 0.006 0.000 1.028 27 V CA -2.690 59.577 62.300 -0.055 0.000 0.860 27 V CB 1.540 33.239 31.823 -0.206 0.000 0.991 27 V HN 0.354 8.541 8.190 -0.005 0.000 0.427 28 H N 7.536 126.565 119.070 -0.068 0.000 2.800 28 H HA 0.608 nan 4.556 nan 0.000 0.322 28 H C -0.901 174.390 175.328 -0.062 0.000 0.979 28 H CA -1.731 54.282 56.048 -0.058 0.000 1.277 28 H CB 2.988 32.718 29.762 -0.052 0.000 1.484 28 H HN 0.816 9.144 8.280 0.081 0.000 0.512 29 T N 3.355 117.998 114.554 0.148 0.000 2.889 29 T HA 0.697 nan 4.350 nan 0.000 0.278 29 T C -1.895 172.781 174.700 -0.039 0.000 0.995 29 T CA -2.535 59.568 62.100 0.005 0.000 0.966 29 T CB 2.494 71.316 68.868 -0.077 0.000 1.237 29 T HN 0.630 8.966 8.240 0.159 0.000 0.591 30 R N -0.720 119.716 120.500 -0.107 0.000 2.663 30 R HA 0.576 nan 4.340 nan 0.000 0.267 30 R C -2.585 173.666 176.300 -0.082 0.000 1.038 30 R CA -0.522 55.492 56.100 -0.144 0.000 0.886 30 R CB 3.284 33.499 30.300 -0.142 0.000 1.249 30 R HN -0.082 8.142 8.270 -0.076 0.000 0.463 31 F N 2.027 121.803 119.950 -0.290 0.000 2.449 31 F HA 0.525 nan 4.527 nan 0.000 0.342 31 F C -2.828 172.870 175.800 -0.170 0.000 1.127 31 F CA -3.755 54.137 58.000 -0.181 0.000 0.975 31 F CB 3.272 42.205 39.000 -0.111 0.000 1.146 31 F HN 0.428 8.660 8.300 -0.113 0.000 0.444 32 P HA 0.475 nan 4.420 nan 0.000 0.186 32 P C -2.844 174.107 177.300 -0.582 0.000 1.878 32 P CA -2.479 60.321 63.100 -0.500 0.000 1.225 32 P CB -0.301 31.341 31.700 -0.096 0.000 1.717 33 P HA -0.022 nan 4.420 nan 0.000 0.277 33 P C -1.165 175.988 177.300 -0.244 0.000 1.240 33 P CA -0.947 61.794 63.100 -0.598 0.000 0.798 33 P CB 1.263 32.523 31.700 -0.733 0.000 0.979 34 E N 0.559 120.687 120.200 -0.119 0.000 2.313 34 E HA 0.270 nan 4.350 nan 0.000 0.276 34 E C -1.005 175.590 176.600 -0.007 0.000 1.031 34 E CA -3.355 53.052 56.400 0.011 0.000 0.857 34 E CB 1.541 31.256 29.700 0.026 0.000 1.040 34 E HN 0.308 8.585 8.360 -0.139 0.000 0.408 35 P HA 0.146 nan 4.420 nan 0.000 0.231 35 P C -1.887 175.368 177.300 -0.075 0.000 1.811 35 P CA -0.729 62.361 63.100 -0.017 0.000 1.051 35 P CB -1.528 30.116 31.700 -0.092 0.000 1.951 36 N N -0.042 118.499 118.700 -0.265 0.000 2.416 36 N HA 0.044 nan 4.740 nan 0.000 0.267 36 N C -1.454 173.541 175.510 -0.858 0.000 1.294 36 N CA -0.968 51.853 53.050 -0.381 0.000 0.891 36 N CB 1.485 39.901 38.487 -0.119 0.000 1.238 36 N HN -0.005 8.165 8.380 -0.253 0.058 0.508 37 G N -1.537 106.326 108.800 -1.562 0.000 2.336 37 G HA2 -0.107 nan 3.960 nan 0.000 0.300 37 G HA3 -0.107 nan 3.960 nan 0.000 0.300 37 G C -2.283 172.043 174.900 -0.957 0.000 1.375 37 G CA -0.277 43.950 45.100 -1.455 0.000 0.885 37 G HN -0.627 6.698 8.290 -1.509 0.059 0.599 38 Y N -1.623 118.020 120.300 -1.093 0.000 2.301 38 Y HA 0.165 nan 4.550 nan 0.000 0.328 38 Y C 0.051 175.828 175.900 -0.205 0.000 1.242 38 Y CA -0.228 57.583 58.100 -0.482 0.000 1.323 38 Y CB 0.911 39.178 38.460 -0.320 0.000 1.266 38 Y HN -0.016 7.458 8.280 -1.344 0.000 0.527 39 L N 0.126 121.343 121.223 -0.010 0.000 2.473 39 L HA 0.083 nan 4.340 nan 0.000 0.268 39 L C -0.497 176.542 176.870 0.282 0.000 1.215 39 L CA 0.324 55.177 54.840 0.022 0.000 0.823 39 L CB 0.287 42.367 42.059 0.034 0.000 1.099 39 L HN 0.632 8.831 8.230 -0.052 0.000 0.483 40 H N -0.921 118.472 119.070 0.538 0.000 2.949 40 H HA 0.531 nan 4.556 nan 0.000 0.310 40 H C 0.364 175.822 175.328 0.217 0.000 1.405 40 H CA -2.076 54.149 56.048 0.295 0.000 1.253 40 H CB 1.618 31.514 29.762 0.223 0.000 1.932 40 H HN 0.193 8.765 8.280 0.486 0.000 0.602 41 I N 0.185 120.981 120.570 0.378 0.000 2.335 41 I HA -0.410 nan 4.170 nan 0.000 0.251 41 I C 1.351 177.667 176.117 0.332 0.000 1.129 41 I CA 1.444 62.907 61.300 0.272 0.000 1.402 41 I CB 0.251 38.326 38.000 0.125 0.000 1.069 41 I HN 0.010 8.394 8.210 0.291 0.000 0.424 42 G N -3.325 105.707 108.800 0.387 0.000 2.402 42 G HA2 -0.270 nan 3.960 nan 0.000 0.216 42 G HA3 -0.270 nan 3.960 nan 0.000 0.216 42 G C 1.813 176.892 174.900 0.298 0.000 1.162 42 G CA 2.000 47.268 45.100 0.280 0.000 0.777 42 G HN -0.319 8.182 8.290 0.382 0.018 0.539 43 H N 3.415 122.730 119.070 0.409 0.000 2.387 43 H HA -0.281 nan 4.556 nan 0.000 0.299 43 H C 1.681 177.069 175.328 0.100 0.000 1.090 43 H CA 2.937 59.113 56.048 0.213 0.000 1.332 43 H CB -0.080 29.736 29.762 0.091 0.000 1.386 43 H HN -0.508 7.967 8.280 0.461 0.081 0.516 44 A N -2.259 120.707 122.820 0.244 0.000 2.076 44 A HA -0.283 nan 4.320 nan 0.000 0.220 44 A C 1.148 178.783 177.584 0.084 0.000 1.160 44 A CA 3.007 55.126 52.037 0.137 0.000 0.653 44 A CB -0.927 18.202 19.000 0.214 0.000 0.801 44 A HN 0.075 8.311 8.150 0.322 0.107 0.455 45 K N -2.361 118.117 120.400 0.131 0.000 2.116 45 K HA -0.226 nan 4.320 nan 0.000 0.203 45 K C 2.039 178.635 176.600 -0.006 0.000 1.052 45 K CA 3.090 59.417 56.287 0.067 0.000 0.952 45 K CB -0.160 32.413 32.500 0.122 0.000 0.729 45 K HN -0.217 7.976 8.250 0.199 0.176 0.446 46 S N 1.331 117.086 115.700 0.091 0.000 2.371 46 S HA -0.256 nan 4.470 nan 0.000 0.224 46 S C 1.909 176.420 174.600 -0.148 0.000 1.029 46 S CA 3.317 61.571 58.200 0.089 0.000 0.978 46 S CB -0.062 63.383 63.200 0.409 0.000 0.833 46 S HN -0.554 7.767 8.310 0.183 0.099 0.466 47 I N 2.541 122.895 120.570 -0.360 0.000 2.127 47 I HA -0.561 nan 4.170 nan 0.000 0.241 47 I C 1.530 177.422 176.117 -0.376 0.000 1.075 47 I CA 4.556 65.600 61.300 -0.428 0.000 1.334 47 I CB -0.108 37.565 38.000 -0.545 0.000 1.040 47 I HN 0.117 8.132 8.210 -0.326 0.000 0.405 48 C N -1.627 117.489 119.300 -0.308 0.000 2.425 48 C HA -0.302 nan 4.460 nan 0.000 0.277 48 C C 2.474 177.326 174.990 -0.230 0.000 1.280 48 C CA 4.380 63.239 59.018 -0.264 0.000 1.744 48 C CB -1.846 25.865 27.740 -0.049 0.000 1.989 48 C HN -0.198 7.916 8.230 -0.192 0.000 0.491 49 L N -0.127 120.957 121.223 -0.231 0.000 2.027 49 L HA -0.365 nan 4.340 nan 0.000 0.206 49 L C 1.880 178.614 176.870 -0.227 0.000 1.074 49 L CA 3.442 58.126 54.840 -0.260 0.000 0.745 49 L CB -0.315 41.491 42.059 -0.423 0.000 0.898 49 L HN -0.290 7.713 8.230 -0.223 0.093 0.433 50 N N -0.323 118.240 118.700 -0.228 0.000 2.135 50 N HA -0.253 nan 4.740 nan 0.000 0.186 50 N C 2.865 178.193 175.510 -0.304 0.000 1.027 50 N CA 3.604 56.500 53.050 -0.257 0.000 0.849 50 N CB 0.183 38.508 38.487 -0.270 0.000 1.002 50 N HN 0.344 8.484 8.380 -0.217 0.110 0.425 51 F N -0.934 118.814 119.950 -0.336 0.000 2.206 51 F HA -0.138 nan 4.527 nan 0.000 0.298 51 F C 1.593 177.293 175.800 -0.167 0.000 1.090 51 F CA 3.780 61.592 58.000 -0.315 0.000 1.323 51 F CB -0.337 38.240 39.000 -0.704 0.000 1.028 51 F HN 0.380 8.571 8.300 -0.182 0.000 0.492 52 G N -0.398 108.383 108.800 -0.033 0.000 2.421 52 G HA2 -0.369 nan 3.960 nan 0.000 0.216 52 G HA3 -0.369 nan 3.960 nan 0.000 0.216 52 G C 1.001 175.949 174.900 0.080 0.000 1.171 52 G CA 2.160 47.315 45.100 0.092 0.000 0.775 52 G HN -0.202 7.879 8.290 -0.184 0.099 0.543 53 I N 2.370 122.958 120.570 0.030 0.000 2.163 53 I HA -0.553 nan 4.170 nan 0.000 0.243 53 I C 1.454 177.674 176.117 0.171 0.000 1.085 53 I CA 3.561 64.925 61.300 0.106 0.000 1.347 53 I CB -0.258 37.706 38.000 -0.059 0.000 1.044 53 I HN -0.601 7.583 8.210 -0.042 0.000 0.408 54 A N -1.024 121.836 122.820 0.065 0.000 1.841 54 A HA -0.419 nan 4.320 nan 0.000 0.216 54 A C 2.112 179.765 177.584 0.116 0.000 1.199 54 A CA 3.440 55.519 52.037 0.070 0.000 0.621 54 A CB -0.951 18.072 19.000 0.037 0.000 0.835 54 A HN -0.552 7.602 8.150 0.007 0.000 0.445 55 Q N -2.649 117.230 119.800 0.132 0.000 2.170 55 Q HA -0.329 nan 4.340 nan 0.000 0.203 55 Q C 2.914 178.947 176.000 0.055 0.000 0.976 55 Q CA 2.665 58.532 55.803 0.107 0.000 0.858 55 Q CB -0.475 28.345 28.738 0.136 0.000 0.907 55 Q HN -0.159 8.207 8.270 0.159 0.000 0.433 56 D N 2.130 122.559 120.400 0.048 0.000 2.144 56 D HA -0.180 nan 4.640 nan 0.000 0.200 56 D C 1.250 177.415 176.300 -0.225 0.000 0.978 56 D CA 2.940 56.878 54.000 -0.104 0.000 0.833 56 D CB 0.111 40.815 40.800 -0.160 0.000 0.961 56 D HN 0.219 8.453 8.370 0.099 0.195 0.470 57 Y N -4.579 115.701 120.300 -0.033 0.000 2.493 57 Y HA 0.080 nan 4.550 nan 0.000 0.275 57 Y C -1.248 174.636 175.900 -0.026 0.000 1.183 57 Y CA -1.043 57.036 58.100 -0.035 0.000 1.258 57 Y CB -0.152 38.277 38.460 -0.052 0.000 1.108 57 Y HN -0.326 8.129 8.280 0.292 0.000 0.521 58 K N -3.018 117.430 120.400 0.081 0.000 3.016 58 K HA -0.357 nan 4.320 nan 0.000 0.262 58 K C -0.245 176.381 176.600 0.044 0.000 1.043 58 K CA 0.767 57.083 56.287 0.047 0.000 0.761 58 K CB -2.259 30.257 32.500 0.026 0.000 1.230 58 K HN -0.505 7.582 8.250 0.055 0.196 0.485 59 G N -1.634 107.199 108.800 0.054 0.000 2.671 59 G HA2 0.330 nan 3.960 nan 0.000 0.275 59 G HA3 0.330 nan 3.960 nan 0.000 0.275 59 G C -1.672 173.189 174.900 -0.065 0.000 1.368 59 G CA -0.325 44.769 45.100 -0.010 0.000 1.044 59 G HN 0.031 8.253 8.290 0.093 0.123 0.543 60 Q N -2.831 116.850 119.800 -0.198 0.000 2.351 60 Q HA 0.293 nan 4.340 nan 0.000 0.273 60 Q C -1.837 174.092 176.000 -0.119 0.000 1.077 60 Q CA -1.764 53.876 55.803 -0.272 0.000 0.843 60 Q CB 3.862 32.176 28.738 -0.707 0.000 1.367 60 Q HN 0.126 8.251 8.270 -0.242 0.000 0.449 61 C N 1.366 120.676 119.300 0.016 0.000 2.599 61 C HA 0.432 nan 4.460 nan 0.000 0.354 61 C C -1.422 173.613 174.990 0.075 0.000 1.092 61 C CA -1.338 57.676 59.018 -0.008 0.000 1.280 61 C CB 1.119 28.668 27.740 -0.318 0.000 1.829 61 C HN 0.531 8.791 8.230 0.051 0.000 0.454 62 N N 7.493 126.253 118.700 0.100 0.000 2.524 62 N HA 0.341 nan 4.740 nan 0.000 0.283 62 N C -2.034 173.458 175.510 -0.031 0.000 1.142 62 N CA -0.380 52.734 53.050 0.107 0.000 0.984 62 N CB 1.902 40.422 38.487 0.055 0.000 1.155 62 N HN 0.186 8.620 8.380 0.091 0.000 0.467 63 L N 2.428 123.612 121.223 -0.066 0.000 2.257 63 L HA 0.495 nan 4.340 nan 0.000 0.290 63 L C -2.167 174.412 176.870 -0.485 0.000 1.044 63 L CA -0.783 53.872 54.840 -0.309 0.000 0.810 63 L CB 1.539 43.158 42.059 -0.733 0.000 1.193 63 L HN 0.425 8.656 8.230 0.002 0.000 0.425 64 R N 7.177 127.377 120.500 -0.500 0.000 2.476 64 R HA 0.440 nan 4.340 nan 0.000 0.305 64 R C -1.078 174.878 176.300 -0.572 0.000 0.965 64 R CA -1.669 54.160 56.100 -0.452 0.000 0.867 64 R CB 3.093 33.254 30.300 -0.232 0.000 1.176 64 R HN 0.419 8.414 8.270 -0.458 0.000 0.447 65 F N 6.915 126.626 119.950 -0.398 0.000 2.434 65 F HA -0.069 nan 4.527 nan 0.000 0.358 65 F C -0.966 174.787 175.800 -0.079 0.000 1.136 65 F CA -0.404 57.428 58.000 -0.281 0.000 1.157 65 F CB 0.429 39.218 39.000 -0.351 0.000 1.167 65 F HN 1.008 8.907 8.300 -0.492 0.106 0.539 66 D N 6.945 127.391 120.400 0.077 0.000 2.545 66 D HA -0.071 nan 4.640 nan 0.000 0.227 66 D C -0.604 175.831 176.300 0.225 0.000 1.150 66 D CA -0.263 53.825 54.000 0.147 0.000 1.046 66 D CB -0.488 40.398 40.800 0.144 0.000 1.098 66 D HN -0.147 8.203 8.370 -0.032 0.000 0.502 67 D N 2.423 122.997 120.400 0.291 0.000 2.767 67 D HA 0.148 nan 4.640 nan 0.000 0.241 67 D C 0.336 176.901 176.300 0.441 0.000 1.187 67 D CA -1.372 52.858 54.000 0.384 0.000 0.999 67 D CB -1.708 39.387 40.800 0.493 0.000 1.042 67 D HN -0.259 8.241 8.370 0.268 0.031 0.510 68 T N -4.971 109.789 114.554 0.343 0.000 3.037 68 T HA -0.021 nan 4.350 nan 0.000 0.251 68 T C 0.512 175.320 174.700 0.181 0.000 1.079 68 T CA 0.630 62.935 62.100 0.340 0.000 1.067 68 T CB 0.025 69.048 68.868 0.258 0.000 0.948 68 T HN -0.395 7.963 8.240 0.280 0.049 0.496 69 N N 2.365 121.143 118.700 0.130 0.000 2.800 69 N HA 0.585 nan 4.740 nan 0.000 0.240 69 N C -0.722 174.779 175.510 -0.014 0.000 1.096 69 N CA -3.520 49.535 53.050 0.008 0.000 0.877 69 N CB 0.607 39.119 38.487 0.043 0.000 1.138 69 N HN -0.500 8.266 8.380 0.182 -0.277 0.509 70 P HA -0.270 nan 4.420 nan 0.000 0.217 70 P C 1.213 178.497 177.300 -0.027 0.000 1.151 70 P CA 2.300 65.347 63.100 -0.088 0.000 0.849 70 P CB -0.031 31.519 31.700 -0.250 0.000 0.787 71 V N -7.773 112.121 119.914 -0.034 0.000 3.305 71 V HA -0.072 nan 4.120 nan 0.000 0.269 71 V C 0.835 176.953 176.094 0.040 0.000 1.157 71 V CA 2.044 64.354 62.300 0.017 0.000 1.157 71 V CB -1.026 30.812 31.823 0.024 0.000 0.772 71 V HN -0.402 7.838 8.190 -0.079 -0.097 0.498 72 K N -3.403 117.022 120.400 0.041 0.000 2.373 72 K HA 0.172 nan 4.320 nan 0.000 0.200 72 K C -0.259 176.386 176.600 0.074 0.000 1.054 72 K CA 0.082 56.406 56.287 0.061 0.000 1.065 72 K CB 1.322 33.852 32.500 0.050 0.000 0.886 72 K HN -0.118 8.089 8.250 0.029 0.060 0.546 73 E N -0.935 119.298 120.200 0.055 0.000 2.222 73 E HA 0.200 nan 4.350 nan 0.000 0.267 73 E C -1.541 175.014 176.600 -0.076 0.000 0.963 73 E CA -0.597 55.813 56.400 0.015 0.000 0.837 73 E CB 2.178 31.869 29.700 -0.015 0.000 1.183 73 E HN -0.771 7.618 8.360 0.049 0.000 0.403 74 D N 0.478 120.770 120.400 -0.179 0.000 2.736 74 D HA 0.144 nan 4.640 nan 0.000 0.223 74 D C 0.296 176.270 176.300 -0.544 0.000 1.231 74 D CA -1.024 52.765 54.000 -0.351 0.000 0.818 74 D CB 2.210 42.822 40.800 -0.313 0.000 1.587 74 D HN -0.060 8.297 8.370 -0.021 0.000 0.463 75 I N 4.761 125.060 120.570 -0.453 0.000 2.423 75 I HA -0.320 nan 4.170 nan 0.000 0.254 75 I C 0.155 176.041 176.117 -0.385 0.000 1.151 75 I CA 2.123 63.200 61.300 -0.371 0.000 1.421 75 I CB 0.292 38.175 38.000 -0.196 0.000 1.079 75 I HN 0.238 8.253 8.210 -0.326 0.000 0.431 76 E N -0.356 119.552 120.200 -0.487 0.000 2.118 76 E HA -0.386 nan 4.350 nan 0.000 0.195 76 E C 2.317 178.597 176.600 -0.534 0.000 0.992 76 E CA 3.209 59.310 56.400 -0.498 0.000 0.804 76 E CB -0.430 28.921 29.700 -0.581 0.000 0.741 76 E HN -0.709 7.716 8.360 -0.516 -0.375 0.458 77 Y N -3.332 116.745 120.300 -0.371 0.000 2.314 77 Y HA -0.232 nan 4.550 nan 0.000 0.293 77 Y C 2.303 177.947 175.900 -0.428 0.000 1.129 77 Y CA 2.257 60.070 58.100 -0.477 0.000 1.201 77 Y CB -0.827 37.382 38.460 -0.418 0.000 0.999 77 Y HN -0.337 7.407 8.280 -0.865 0.017 0.541 78 V N -2.075 117.619 119.914 -0.367 0.000 2.295 78 V HA -0.392 nan 4.120 nan 0.000 0.246 78 V C 1.742 177.670 176.094 -0.276 0.000 1.049 78 V CA 3.665 65.594 62.300 -0.617 0.000 1.024 78 V CB -0.872 30.460 31.823 -0.819 0.000 0.648 78 V HN -0.788 7.071 8.190 -0.394 0.095 0.447 79 E N -0.585 119.490 120.200 -0.209 0.000 2.153 79 E HA -0.297 nan 4.350 nan 0.000 0.194 79 E C 2.687 179.238 176.600 -0.080 0.000 0.988 79 E CA 2.661 59.003 56.400 -0.096 0.000 0.811 79 E CB -0.720 28.928 29.700 -0.086 0.000 0.746 79 E HN -0.354 7.856 8.360 -0.250 0.000 0.466 80 S N -0.173 115.413 115.700 -0.190 0.000 2.414 80 S HA -0.157 nan 4.470 nan 0.000 0.227 80 S C 2.054 176.565 174.600 -0.149 0.000 1.022 80 S CA 2.971 61.026 58.200 -0.241 0.000 0.958 80 S CB 0.130 62.950 63.200 -0.633 0.000 0.797 80 S HN -0.671 7.376 8.310 -0.259 0.107 0.493 81 I N 3.622 124.136 120.570 -0.093 0.000 2.202 81 I HA -0.526 nan 4.170 nan 0.000 0.242 81 I C 1.628 177.809 176.117 0.106 0.000 1.091 81 I CA 4.175 65.496 61.300 0.034 0.000 1.368 81 I CB -0.219 37.888 38.000 0.178 0.000 1.058 81 I HN 0.099 8.236 8.210 -0.122 0.000 0.410 82 K N -1.846 118.646 120.400 0.153 0.000 2.103 82 K HA -0.452 nan 4.320 nan 0.000 0.207 82 K C 2.269 179.029 176.600 0.267 0.000 1.048 82 K CA 3.692 60.084 56.287 0.175 0.000 0.930 82 K CB -0.620 32.015 32.500 0.225 0.000 0.716 82 K HN -0.139 8.216 8.250 0.176 0.000 0.444 83 N N -0.310 118.491 118.700 0.167 0.000 2.058 83 N HA -0.303 nan 4.740 nan 0.000 0.191 83 N C 1.840 177.455 175.510 0.175 0.000 1.037 83 N CA 3.387 56.526 53.050 0.149 0.000 0.848 83 N CB 0.137 38.660 38.487 0.060 0.000 1.021 83 N HN -0.640 7.704 8.380 0.107 0.100 0.422 84 D N 0.160 120.639 120.400 0.130 0.000 2.219 84 D HA -0.145 nan 4.640 nan 0.000 0.205 84 D C 2.626 179.073 176.300 0.244 0.000 0.970 84 D CA 3.054 57.163 54.000 0.182 0.000 0.851 84 D CB -0.151 40.717 40.800 0.113 0.000 0.943 84 D HN 0.045 8.461 8.370 0.077 0.000 0.488 85 V N 0.455 120.482 119.914 0.188 0.000 2.307 85 V HA -0.387 nan 4.120 nan 0.000 0.245 85 V C 2.023 178.188 176.094 0.120 0.000 1.045 85 V CA 4.209 66.582 62.300 0.121 0.000 1.024 85 V CB -0.550 31.347 31.823 0.123 0.000 0.651 85 V HN 0.013 8.292 8.190 0.183 0.021 0.449 86 E N -0.811 119.516 120.200 0.213 0.000 2.051 86 E HA -0.375 nan 4.350 nan 0.000 0.192 86 E C 2.406 179.032 176.600 0.043 0.000 0.991 86 E CA 2.849 59.294 56.400 0.075 0.000 0.799 86 E CB -0.151 29.664 29.700 0.190 0.000 0.748 86 E HN -0.483 8.066 8.360 0.315 0.000 0.449 87 W N 0.840 122.128 121.300 -0.019 0.000 2.321 87 W HA -0.330 nan 4.660 nan 0.000 0.306 87 W C 1.047 177.522 176.519 -0.073 0.000 1.217 87 W CA 3.746 61.073 57.345 -0.030 0.000 1.257 87 W CB -0.030 29.436 29.460 0.011 0.000 1.145 87 W HN -0.307 8.086 8.180 0.355 0.000 0.509 88 L N -5.870 115.352 121.223 -0.002 0.000 2.456 88 L HA -0.298 nan 4.340 nan 0.000 0.224 88 L C 0.150 176.721 176.870 -0.499 0.000 1.148 88 L CA 0.860 55.568 54.840 -0.221 0.000 0.825 88 L CB -0.053 42.081 42.059 0.125 0.000 0.937 88 L HN -0.688 7.670 8.230 0.226 0.008 0.450 89 G N -3.354 105.142 108.800 -0.505 0.000 2.255 89 G HA2 -0.370 nan 3.960 nan 0.000 0.239 89 G HA3 -0.370 nan 3.960 nan 0.000 0.239 89 G C -0.675 173.624 174.900 -1.001 0.000 1.083 89 G CA -0.089 44.600 45.100 -0.685 0.000 0.826 89 G HN -0.105 7.772 8.290 -0.326 0.218 0.493 90 F N -0.796 118.790 119.950 -0.606 0.000 2.576 90 F HA 0.248 nan 4.527 nan 0.000 0.313 90 F C -1.344 173.973 175.800 -0.806 0.000 1.078 90 F CA -1.606 56.006 58.000 -0.647 0.000 0.921 90 F CB 4.257 42.762 39.000 -0.826 0.000 1.232 90 F HN -0.640 7.352 8.300 -0.513 0.000 0.459 91 H N 1.693 120.783 119.070 0.033 0.000 2.667 91 H HA 0.341 nan 4.556 nan 0.000 0.353 91 H C -1.107 174.358 175.328 0.227 0.000 1.072 91 H CA -1.510 54.474 56.048 -0.107 0.000 1.214 91 H CB 2.091 31.700 29.762 -0.256 0.000 1.600 91 H HN 0.155 8.499 8.280 0.106 0.000 0.527 92 W N 1.052 122.593 121.300 0.402 0.000 2.183 92 W HA 0.187 nan 4.660 nan 0.000 0.348 92 W C -0.937 175.729 176.519 0.243 0.000 1.257 92 W CA -2.403 55.196 57.345 0.423 0.000 1.324 92 W CB 0.594 30.270 29.460 0.360 0.000 1.144 92 W HN -0.131 8.022 8.180 -0.046 0.000 0.622 93 S N 2.313 118.276 115.700 0.438 0.000 2.481 93 S HA -0.047 nan 4.470 nan 0.000 0.276 93 S C 0.886 175.660 174.600 0.290 0.000 1.247 93 S CA 0.186 58.536 58.200 0.249 0.000 1.053 93 S CB -0.187 63.107 63.200 0.157 0.000 0.925 93 S HN 0.200 8.683 8.310 0.469 0.110 0.491 94 G N 6.207 115.121 108.800 0.190 0.000 2.566 94 G HA2 -0.484 nan 3.960 nan 0.000 0.280 94 G HA3 -0.484 nan 3.960 nan 0.000 0.280 94 G C -1.828 173.256 174.900 0.305 0.000 1.225 94 G CA -0.101 45.115 45.100 0.193 0.000 0.966 94 G HN 0.295 8.652 8.290 0.113 0.000 0.560 95 N N 0.610 119.473 118.700 0.272 0.000 2.483 95 N HA 0.052 nan 4.740 nan 0.000 0.269 95 N C -0.616 175.073 175.510 0.299 0.000 1.209 95 N CA -0.895 52.338 53.050 0.304 0.000 0.969 95 N CB 1.326 39.934 38.487 0.201 0.000 1.173 95 N HN -0.085 8.420 8.380 0.208 0.000 0.475 96 V N 0.501 120.564 119.914 0.247 0.000 2.655 96 V HA -0.001 nan 4.120 nan 0.000 0.300 96 V C 0.249 176.307 176.094 -0.059 0.000 1.044 96 V CA 0.565 62.819 62.300 -0.077 0.000 1.095 96 V CB -0.118 31.663 31.823 -0.069 0.000 0.952 96 V HN 0.275 8.667 8.190 0.338 0.000 0.485 97 R N 4.296 124.676 120.500 -0.199 0.000 2.828 97 R HA 0.498 nan 4.340 nan 0.000 0.264 97 R C -1.656 174.475 176.300 -0.283 0.000 1.022 97 R CA -3.655 52.375 56.100 -0.118 0.000 1.021 97 R CB 2.483 32.759 30.300 -0.040 0.000 1.163 97 R HN 0.548 8.633 8.270 -0.308 0.000 0.494 98 Y N -1.375 118.843 120.300 -0.136 0.000 2.524 98 Y HA 0.287 nan 4.550 nan 0.000 0.347 98 Y C 1.384 177.107 175.900 -0.295 0.000 1.005 98 Y CA -0.986 57.044 58.100 -0.117 0.000 1.025 98 Y CB 3.564 41.949 38.460 -0.125 0.000 1.275 98 Y HN -0.345 8.076 8.280 -0.047 -0.170 0.460 99 S N 5.114 120.814 115.700 -0.000 0.000 2.382 99 S HA -0.328 nan 4.470 nan 0.000 0.228 99 S C 2.038 176.391 174.600 -0.413 0.000 1.027 99 S CA 3.649 61.837 58.200 -0.020 0.000 0.991 99 S CB 0.030 63.296 63.200 0.110 0.000 0.823 99 S HN 0.703 9.158 8.310 0.108 -0.080 0.469 100 S N 1.128 116.392 115.700 -0.727 0.000 2.469 100 S HA -0.251 nan 4.470 nan 0.000 0.238 100 S C 1.924 175.922 174.600 -1.003 0.000 0.998 100 S CA 2.581 59.754 58.200 -1.713 0.000 0.957 100 S CB -0.345 62.080 63.200 -1.291 0.000 0.764 100 S HN -0.008 8.379 8.310 -0.340 -0.281 0.514 101 D N 3.219 123.212 120.400 -0.679 0.000 2.218 101 D HA -0.171 nan 4.640 nan 0.000 0.204 101 D C 0.867 176.838 176.300 -0.548 0.000 0.976 101 D CA 2.616 56.252 54.000 -0.607 0.000 0.853 101 D CB -0.097 40.242 40.800 -0.768 0.000 0.939 101 D HN -0.222 7.616 8.370 -0.574 0.188 0.481 102 Y N -3.610 116.605 120.300 -0.142 0.000 2.571 102 Y HA 0.116 nan 4.550 nan 0.000 0.275 102 Y C 0.346 176.316 175.900 0.118 0.000 1.179 102 Y CA -2.257 55.838 58.100 -0.008 0.000 1.242 102 Y CB -1.314 37.137 38.460 -0.015 0.000 1.126 102 Y HN 0.134 7.864 8.280 -0.622 0.177 0.524 103 F N 1.138 121.071 119.950 -0.028 0.000 2.202 103 F HA -0.386 nan 4.527 nan 0.000 0.301 103 F C 1.728 177.497 175.800 -0.053 0.000 1.082 103 F CA 2.549 60.391 58.000 -0.263 0.000 1.313 103 F CB -0.968 37.579 39.000 -0.755 0.000 1.024 103 F HN -0.479 7.588 8.300 -0.114 0.164 0.495 104 D N -2.759 117.883 120.400 0.403 0.000 2.149 104 D HA -0.255 nan 4.640 nan 0.000 0.201 104 D C 2.233 178.728 176.300 0.325 0.000 0.972 104 D CA 4.012 58.276 54.000 0.440 0.000 0.835 104 D CB -0.474 40.534 40.800 0.347 0.000 0.966 104 D HN 0.118 8.690 8.370 0.360 0.014 0.476 105 Q N 0.792 120.751 119.800 0.264 0.000 2.020 105 Q HA -0.215 nan 4.340 nan 0.000 0.202 105 Q C 2.424 178.584 176.000 0.267 0.000 0.982 105 Q CA 2.893 58.806 55.803 0.183 0.000 0.838 105 Q CB -0.404 28.470 28.738 0.227 0.000 0.899 105 Q HN -0.280 8.161 8.270 0.285 0.000 0.423 106 L N -1.331 120.107 121.223 0.357 0.000 2.043 106 L HA -0.391 nan 4.340 nan 0.000 0.212 106 L C 1.981 179.232 176.870 0.636 0.000 1.075 106 L CA 3.097 58.216 54.840 0.464 0.000 0.752 106 L CB -1.193 41.112 42.059 0.411 0.000 0.891 106 L HN 0.483 8.917 8.230 0.341 0.000 0.432 107 H N -0.512 118.792 119.070 0.390 0.000 2.387 107 H HA -0.346 nan 4.556 nan 0.000 0.299 107 H C 1.875 177.367 175.328 0.273 0.000 1.090 107 H CA 3.880 60.119 56.048 0.317 0.000 1.332 107 H CB 0.589 30.500 29.762 0.249 0.000 1.386 107 H HN -0.404 8.079 8.280 0.476 0.082 0.516 108 A N -0.744 122.115 122.820 0.064 0.000 1.929 108 A HA -0.254 nan 4.320 nan 0.000 0.216 108 A C 1.997 179.535 177.584 -0.078 0.000 1.176 108 A CA 2.791 54.758 52.037 -0.115 0.000 0.628 108 A CB -0.879 18.011 19.000 -0.183 0.000 0.816 108 A HN -0.324 7.820 8.150 0.185 0.117 0.444 109 Y N -1.426 118.954 120.300 0.134 0.000 2.293 109 Y HA -0.385 nan 4.550 nan 0.000 0.291 109 Y C 2.007 178.065 175.900 0.264 0.000 1.137 109 Y CA 2.745 60.945 58.100 0.167 0.000 1.202 109 Y CB -0.713 37.815 38.460 0.115 0.000 0.990 109 Y HN 0.029 8.326 8.280 0.158 0.077 0.537 110 A N 0.032 123.124 122.820 0.452 0.000 1.902 110 A HA -0.330 nan 4.320 nan 0.000 0.217 110 A C 1.880 179.445 177.584 -0.033 0.000 1.181 110 A CA 3.231 55.335 52.037 0.112 0.000 0.623 110 A CB -1.129 17.847 19.000 -0.039 0.000 0.818 110 A HN 0.106 8.469 8.150 0.502 0.088 0.443 111 I N -1.495 119.066 120.570 -0.015 0.000 2.264 111 I HA -0.607 nan 4.170 nan 0.000 0.248 111 I C 1.574 177.689 176.117 -0.002 0.000 1.111 111 I CA 4.138 65.419 61.300 -0.032 0.000 1.382 111 I CB -0.253 37.706 38.000 -0.068 0.000 1.060 111 I HN -0.568 7.567 8.210 -0.008 0.070 0.418 112 E N 0.798 121.022 120.200 0.039 0.000 2.051 112 E HA -0.372 nan 4.350 nan 0.000 0.192 112 E C 2.482 179.106 176.600 0.040 0.000 0.991 112 E CA 3.528 59.958 56.400 0.050 0.000 0.799 112 E CB -0.102 29.666 29.700 0.113 0.000 0.748 112 E HN -0.579 7.729 8.360 0.067 0.093 0.449 113 L N -0.849 120.410 121.223 0.059 0.000 2.012 113 L HA -0.331 nan 4.340 nan 0.000 0.210 113 L C 2.333 179.212 176.870 0.016 0.000 1.073 113 L CA 2.976 57.840 54.840 0.040 0.000 0.748 113 L CB -0.702 41.400 42.059 0.071 0.000 0.891 113 L HN -0.435 7.860 8.230 0.108 0.000 0.431 114 I N -0.825 119.728 120.570 -0.030 0.000 2.179 114 I HA -0.648 nan 4.170 nan 0.000 0.242 114 I C 2.517 178.639 176.117 0.009 0.000 1.088 114 I CA 4.438 65.721 61.300 -0.029 0.000 1.357 114 I CB -0.544 37.412 38.000 -0.074 0.000 1.051 114 I HN 0.324 8.429 8.210 -0.055 0.072 0.409 115 N N 0.746 119.451 118.700 0.008 0.000 2.272 115 N HA -0.244 nan 4.740 nan 0.000 0.185 115 N C 1.389 176.909 175.510 0.017 0.000 1.014 115 N CA 2.758 55.816 53.050 0.014 0.000 0.870 115 N CB -0.324 38.169 38.487 0.010 0.000 0.975 115 N HN 0.279 8.549 8.380 0.002 0.111 0.433 116 K N -3.485 116.926 120.400 0.018 0.000 2.404 116 K HA 0.074 nan 4.320 nan 0.000 0.194 116 K C 0.314 176.936 176.600 0.037 0.000 1.023 116 K CA -0.018 56.281 56.287 0.019 0.000 1.094 116 K CB 0.372 32.875 32.500 0.004 0.000 0.841 116 K HN -0.454 7.665 8.250 0.018 0.141 0.523 117 G N -1.804 107.025 108.800 0.048 0.000 2.162 117 G HA2 -0.383 nan 3.960 nan 0.000 0.260 117 G HA3 -0.383 nan 3.960 nan 0.000 0.260 117 G C -0.020 174.946 174.900 0.111 0.000 0.976 117 G CA 0.954 46.095 45.100 0.067 0.000 0.655 117 G HN 0.174 8.284 8.290 0.040 0.203 0.533 118 L N -0.909 120.391 121.223 0.128 0.000 2.653 118 L HA 0.072 nan 4.340 nan 0.000 0.232 118 L C -1.594 175.421 176.870 0.241 0.000 1.169 118 L CA -0.540 54.439 54.840 0.232 0.000 0.951 118 L CB -0.872 41.340 42.059 0.255 0.000 1.181 118 L HN -0.327 7.897 8.230 0.090 0.060 0.460 119 A N -3.046 119.867 122.820 0.156 0.000 2.605 119 A HA 0.482 nan 4.320 nan 0.000 0.294 119 A C -2.297 175.342 177.584 0.092 0.000 1.062 119 A CA 0.050 52.115 52.037 0.047 0.000 0.682 119 A CB 2.794 21.731 19.000 -0.106 0.000 1.278 119 A HN -0.640 7.508 8.150 0.142 0.087 0.410 120 Y N -3.608 116.630 120.300 -0.104 0.000 2.638 120 Y HA 0.318 nan 4.550 nan 0.000 0.335 120 Y C -2.565 173.267 175.900 -0.113 0.000 1.155 120 Y CA -2.073 55.976 58.100 -0.086 0.000 1.046 120 Y CB 1.849 40.291 38.460 -0.030 0.000 1.303 120 Y HN 0.043 8.024 8.280 -0.499 0.000 0.460 121 V N 1.407 121.332 119.914 0.018 0.000 2.368 121 V HA 0.118 nan 4.120 nan 0.000 0.266 121 V C -0.945 175.156 176.094 0.012 0.000 1.045 121 V CA -0.017 62.226 62.300 -0.094 0.000 0.899 121 V CB -0.690 31.104 31.823 -0.048 0.000 1.006 121 V HN 0.471 8.744 8.190 0.138 0.000 0.470 122 D N 6.466 126.794 120.400 -0.119 0.000 2.229 122 D HA 0.314 nan 4.640 nan 0.000 0.249 122 D C -0.896 175.233 176.300 -0.286 0.000 1.027 122 D CA -1.476 52.525 54.000 0.002 0.000 0.923 122 D CB 3.445 44.270 40.800 0.042 0.000 1.174 122 D HN 0.132 8.337 8.370 -0.275 0.000 0.443 123 E N 1.820 121.689 120.200 -0.552 0.000 2.630 123 E HA 0.157 nan 4.350 nan 0.000 0.218 123 E C -0.488 175.888 176.600 -0.372 0.000 0.977 123 E CA -0.885 55.114 56.400 -0.668 0.000 1.038 123 E CB 0.990 30.079 29.700 -1.019 0.000 1.051 123 E HN 0.326 8.327 8.360 -0.599 0.000 0.487 124 L N 0.813 121.950 121.223 -0.143 0.000 2.499 124 L HA -0.144 nan 4.340 nan 0.000 0.273 124 L C 1.064 177.891 176.870 -0.071 0.000 1.195 124 L CA 0.638 55.450 54.840 -0.046 0.000 0.882 124 L CB 0.265 42.248 42.059 -0.126 0.000 1.133 124 L HN -0.530 7.929 8.230 -0.093 -0.285 0.483 125 T N 3.472 118.009 114.554 -0.030 0.000 2.680 125 T HA 0.166 nan 4.350 nan 0.000 0.314 125 T C -0.433 174.261 174.700 -0.010 0.000 1.045 125 T CA -0.810 61.281 62.100 -0.015 0.000 1.025 125 T CB -0.495 68.383 68.868 0.017 0.000 1.000 125 T HN 0.400 8.988 8.240 -0.002 -0.349 0.535 126 P HA -0.119 nan 4.420 nan 0.000 0.218 126 P C 1.583 178.896 177.300 0.021 0.000 1.149 126 P CA 2.784 65.888 63.100 0.007 0.000 0.817 126 P CB 0.115 31.823 31.700 0.015 0.000 0.785 127 E N -2.686 117.533 120.200 0.031 0.000 2.076 127 E HA -0.191 nan 4.350 nan 0.000 0.190 127 E C 2.432 179.071 176.600 0.064 0.000 0.979 127 E CA 3.015 59.441 56.400 0.044 0.000 0.807 127 E CB -0.918 28.809 29.700 0.046 0.000 0.761 127 E HN -0.007 8.353 8.360 0.029 0.018 0.454 128 Q N 0.208 120.049 119.800 0.068 0.000 2.084 128 Q HA -0.307 nan 4.340 nan 0.000 0.202 128 Q C 2.486 178.556 176.000 0.116 0.000 0.978 128 Q CA 3.007 58.879 55.803 0.115 0.000 0.844 128 Q CB 0.091 28.868 28.738 0.066 0.000 0.898 128 Q HN -0.454 7.845 8.270 0.049 0.000 0.426 129 I N -0.453 120.133 120.570 0.027 0.000 2.248 129 I HA -0.527 nan 4.170 nan 0.000 0.248 129 I C 0.870 177.038 176.117 0.086 0.000 1.107 129 I CA 3.491 64.805 61.300 0.023 0.000 1.373 129 I CB 0.115 38.109 38.000 -0.011 0.000 1.055 129 I HN -0.171 8.042 8.210 0.005 0.000 0.418 130 R N -1.430 119.116 120.500 0.077 0.000 2.066 130 R HA -0.343 nan 4.340 nan 0.000 0.232 130 R C 2.558 178.917 176.300 0.099 0.000 1.131 130 R CA 3.207 59.349 56.100 0.070 0.000 0.955 130 R CB -0.584 29.746 30.300 0.049 0.000 0.851 130 R HN -0.453 7.841 8.270 0.062 0.013 0.432 131 E N -0.595 119.687 120.200 0.137 0.000 2.085 131 E HA -0.310 nan 4.350 nan 0.000 0.194 131 E C 2.802 179.489 176.600 0.146 0.000 0.994 131 E CA 2.938 59.418 56.400 0.133 0.000 0.801 131 E CB -0.057 29.745 29.700 0.169 0.000 0.743 131 E HN -0.618 7.747 8.360 0.140 0.079 0.453 132 Y N -1.779 118.532 120.300 0.018 0.000 2.439 132 Y HA -0.166 nan 4.550 nan 0.000 0.292 132 Y C 1.534 177.441 175.900 0.012 0.000 1.130 132 Y CA 2.268 60.378 58.100 0.017 0.000 1.254 132 Y CB -0.319 38.159 38.460 0.030 0.000 1.000 132 Y HN 0.247 8.821 8.280 0.489 0.000 0.554 133 R N -0.898 119.700 120.500 0.162 0.000 2.285 133 R HA -0.314 nan 4.340 nan 0.000 0.213 133 R C 0.047 176.375 176.300 0.046 0.000 1.068 133 R CA 1.506 57.659 56.100 0.089 0.000 1.004 133 R CB 0.273 30.611 30.300 0.064 0.000 0.873 133 R HN -0.483 7.739 8.270 0.169 0.150 0.467 134 G N -3.522 105.297 108.800 0.031 0.000 2.660 134 G HA2 -0.500 nan 3.960 nan 0.000 0.215 134 G HA3 -0.500 nan 3.960 nan 0.000 0.215 134 G C -1.065 173.835 174.900 -0.000 0.000 1.345 134 G CA -0.724 44.378 45.100 0.003 0.000 0.877 134 G HN -0.922 7.336 8.290 0.040 0.056 0.549 135 T N -3.683 110.864 114.554 -0.012 0.000 2.645 135 T HA 0.302 nan 4.350 nan 0.000 0.273 135 T C 0.647 175.333 174.700 -0.024 0.000 0.960 135 T CA -1.598 60.493 62.100 -0.016 0.000 1.051 135 T CB 2.242 71.098 68.868 -0.019 0.000 1.366 135 T HN 0.389 8.504 8.240 -0.016 0.115 0.536 136 L N -1.228 119.977 121.223 -0.030 0.000 2.465 136 L HA -0.011 nan 4.340 nan 0.000 0.224 136 L C 0.728 177.569 176.870 -0.048 0.000 1.145 136 L CA 2.148 56.962 54.840 -0.042 0.000 0.834 136 L CB -0.369 41.664 42.059 -0.044 0.000 0.944 136 L HN 0.414 8.628 8.230 -0.028 0.000 0.451 137 T N -8.547 105.983 114.554 -0.040 0.000 2.969 137 T HA 0.106 nan 4.350 nan 0.000 0.258 137 T C 0.386 175.065 174.700 -0.035 0.000 0.962 137 T CA -0.126 61.949 62.100 -0.040 0.000 0.903 137 T CB 1.202 70.049 68.868 -0.036 0.000 1.177 137 T HN -0.592 7.576 8.240 -0.034 0.053 0.511 138 Q N 2.923 122.704 119.800 -0.031 0.000 2.307 138 Q HA 0.572 nan 4.340 nan 0.000 0.262 138 Q C -2.295 173.690 176.000 -0.025 0.000 0.961 138 Q CA -3.160 52.626 55.803 -0.028 0.000 0.882 138 Q CB 1.660 30.381 28.738 -0.028 0.000 1.264 138 Q HN -0.268 7.984 8.270 -0.030 0.000 0.446 139 P HA 0.213 nan 4.420 nan 0.000 0.272 139 P C -0.973 176.320 177.300 -0.010 0.000 1.240 139 P CA -0.368 62.723 63.100 -0.015 0.000 0.791 139 P CB 0.770 32.462 31.700 -0.014 0.000 0.978 140 G N -0.957 107.846 108.800 0.005 0.000 2.525 140 G HA2 0.415 nan 3.960 nan 0.000 0.287 140 G HA3 0.415 nan 3.960 nan 0.000 0.287 140 G C -2.080 172.833 174.900 0.022 0.000 1.350 140 G CA -0.824 44.290 45.100 0.022 0.000 1.039 140 G HN 0.209 8.504 8.290 0.009 0.000 0.513 141 K N -2.262 118.175 120.400 0.062 0.000 2.502 141 K HA 0.239 nan 4.320 nan 0.000 0.257 141 K C -1.032 175.679 176.600 0.185 0.000 0.938 141 K CA -1.686 54.642 56.287 0.068 0.000 0.819 141 K CB 2.597 35.075 32.500 -0.037 0.000 1.333 141 K HN 0.365 8.682 8.250 0.111 0.000 0.434 142 N N 2.381 121.153 118.700 0.120 0.000 2.454 142 N HA -0.072 nan 4.740 nan 0.000 0.260 142 N C 0.115 175.720 175.510 0.159 0.000 1.218 142 N CA 0.264 53.375 53.050 0.101 0.000 0.904 142 N CB 0.284 38.779 38.487 0.013 0.000 1.065 142 N HN 0.202 8.622 8.380 0.067 0.000 0.462 143 S N 3.148 118.895 115.700 0.079 0.000 2.573 143 S HA 0.173 nan 4.470 nan 0.000 0.277 143 S C 1.126 175.664 174.600 -0.104 0.000 1.346 143 S CA -2.337 55.833 58.200 -0.050 0.000 1.034 143 S CB 1.114 64.328 63.200 0.023 0.000 0.879 143 S HN 0.352 8.708 8.310 0.077 0.000 0.528 144 P HA -0.041 nan 4.420 nan 0.000 0.226 144 P C -0.076 176.959 177.300 -0.441 0.000 1.153 144 P CA 1.639 64.522 63.100 -0.362 0.000 0.777 144 P CB 0.139 31.530 31.700 -0.516 0.000 0.794 145 Y N -2.420 117.836 120.300 -0.074 0.000 2.461 145 Y HA 0.051 nan 4.550 nan 0.000 0.277 145 Y C 1.295 177.068 175.900 -0.213 0.000 1.182 145 Y CA -0.451 57.610 58.100 -0.064 0.000 1.276 145 Y CB -1.076 37.394 38.460 0.016 0.000 1.087 145 Y HN -0.418 7.653 8.280 -0.261 0.052 0.519 146 R N 0.636 120.955 120.500 -0.303 0.000 2.148 146 R HA -0.286 nan 4.340 nan 0.000 0.227 146 R C -0.636 175.365 176.300 -0.498 0.000 1.103 146 R CA 2.930 58.576 56.100 -0.756 0.000 0.983 146 R CB 0.176 30.143 30.300 -0.553 0.000 0.874 146 R HN -0.669 7.281 8.270 -0.226 0.185 0.451 147 D N -3.037 117.223 120.400 -0.233 0.000 2.895 147 D HA 0.090 nan 4.640 nan 0.000 0.258 147 D C -0.346 175.919 176.300 -0.059 0.000 1.311 147 D CA -0.768 53.152 54.000 -0.133 0.000 0.843 147 D CB -0.808 39.937 40.800 -0.092 0.000 1.055 147 D HN -0.077 8.181 8.370 -0.188 0.000 0.486 148 R N -0.061 120.420 120.500 -0.032 0.000 2.774 148 R HA 0.110 nan 4.340 nan 0.000 0.269 148 R C 0.057 176.375 176.300 0.030 0.000 1.068 148 R CA 0.112 56.231 56.100 0.031 0.000 1.180 148 R CB 0.804 31.155 30.300 0.085 0.000 1.077 148 R HN -0.629 7.530 8.270 -0.071 0.068 0.513 149 S N -1.067 114.656 115.700 0.038 0.000 2.614 149 S HA 0.050 nan 4.470 nan 0.000 0.265 149 S C 1.610 176.237 174.600 0.046 0.000 1.303 149 S CA -0.819 57.402 58.200 0.035 0.000 1.000 149 S CB 1.395 64.614 63.200 0.032 0.000 0.935 149 S HN -0.271 8.229 8.310 0.044 -0.163 0.551 150 V N 4.432 124.370 119.914 0.040 0.000 2.332 150 V HA -0.355 nan 4.120 nan 0.000 0.248 150 V C 2.060 178.182 176.094 0.047 0.000 1.055 150 V CA 3.628 65.954 62.300 0.042 0.000 1.038 150 V CB -0.736 31.106 31.823 0.032 0.000 0.651 150 V HN 0.726 8.935 8.190 0.032 0.000 0.450 151 E N -2.300 117.925 120.200 0.042 0.000 2.153 151 E HA -0.307 nan 4.350 nan 0.000 0.194 151 E C 2.590 179.223 176.600 0.056 0.000 0.988 151 E CA 3.384 59.810 56.400 0.043 0.000 0.811 151 E CB -0.764 28.957 29.700 0.034 0.000 0.746 151 E HN 0.590 8.968 8.360 0.036 0.004 0.466 152 E N -0.038 120.199 120.200 0.061 0.000 2.076 152 E HA -0.268 nan 4.350 nan 0.000 0.190 152 E C 2.055 178.712 176.600 0.096 0.000 0.979 152 E CA 2.580 59.025 56.400 0.076 0.000 0.807 152 E CB -0.086 29.660 29.700 0.076 0.000 0.761 152 E HN -0.420 7.826 8.360 0.055 0.147 0.454 153 N N 0.953 119.708 118.700 0.092 0.000 2.120 153 N HA -0.313 nan 4.740 nan 0.000 0.188 153 N C 2.522 178.106 175.510 0.124 0.000 1.024 153 N CA 3.319 56.427 53.050 0.097 0.000 0.852 153 N CB -0.016 38.514 38.487 0.072 0.000 1.003 153 N HN -0.022 8.405 8.380 0.079 0.000 0.424 154 L N -1.126 120.163 121.223 0.109 0.000 2.046 154 L HA -0.298 nan 4.340 nan 0.000 0.208 154 L C 1.681 178.640 176.870 0.148 0.000 1.077 154 L CA 2.849 57.771 54.840 0.138 0.000 0.747 154 L CB -1.609 40.504 42.059 0.090 0.000 0.896 154 L HN 0.138 8.418 8.230 0.084 0.000 0.432 155 A N -0.235 122.653 122.820 0.113 0.000 1.858 155 A HA -0.315 nan 4.320 nan 0.000 0.216 155 A C 2.419 180.087 177.584 0.141 0.000 1.190 155 A CA 3.187 55.284 52.037 0.099 0.000 0.617 155 A CB -0.756 18.291 19.000 0.078 0.000 0.827 155 A HN -0.674 7.535 8.150 0.099 0.000 0.443 156 L N -1.911 119.422 121.223 0.184 0.000 2.079 156 L HA -0.286 nan 4.340 nan 0.000 0.210 156 L C 2.244 179.308 176.870 0.323 0.000 1.081 156 L CA 2.115 57.122 54.840 0.279 0.000 0.752 156 L CB -1.533 40.668 42.059 0.236 0.000 0.896 156 L HN -0.049 8.276 8.230 0.159 0.000 0.433 157 F N 0.770 120.759 119.950 0.066 0.000 2.102 157 F HA -0.426 nan 4.527 nan 0.000 0.298 157 F C 1.854 177.681 175.800 0.046 0.000 1.105 157 F CA 2.947 60.958 58.000 0.018 0.000 1.239 157 F CB -0.250 38.732 39.000 -0.030 0.000 0.991 157 F HN 0.455 8.843 8.300 0.324 0.106 0.474 158 E N -0.363 119.852 120.200 0.025 0.000 2.153 158 E HA -0.400 nan 4.350 nan 0.000 0.194 158 E C 2.205 178.764 176.600 -0.068 0.000 0.988 158 E CA 2.830 59.173 56.400 -0.093 0.000 0.811 158 E CB -0.609 29.080 29.700 -0.019 0.000 0.746 158 E HN -0.046 8.405 8.360 0.151 0.000 0.466 159 K N -0.445 119.974 120.400 0.033 0.000 2.057 159 K HA -0.280 nan 4.320 nan 0.000 0.206 159 K C 2.253 178.908 176.600 0.092 0.000 1.050 159 K CA 3.133 59.434 56.287 0.023 0.000 0.935 159 K CB -0.218 32.292 32.500 0.016 0.000 0.715 159 K HN -0.327 7.875 8.250 0.095 0.104 0.439 160 M N -0.726 119.006 119.600 0.219 0.000 2.067 160 M HA -0.416 nan 4.480 nan 0.000 0.260 160 M C 2.541 178.817 176.300 -0.041 0.000 1.069 160 M CA 4.065 59.485 55.300 0.200 0.000 1.117 160 M CB -0.046 32.638 32.600 0.140 0.000 1.334 160 M HN 0.002 8.356 8.290 0.244 0.083 0.407 161 R N -0.277 120.085 120.500 -0.229 0.000 2.091 161 R HA -0.309 nan 4.340 nan 0.000 0.238 161 R C 1.377 177.557 176.300 -0.199 0.000 1.136 161 R CA 3.096 59.007 56.100 -0.314 0.000 0.959 161 R CB 0.136 30.151 30.300 -0.475 0.000 0.856 161 R HN 0.227 8.154 8.270 -0.291 0.169 0.437 162 A N -4.511 118.229 122.820 -0.133 0.000 2.252 162 A HA 0.021 nan 4.320 nan 0.000 0.207 162 A C -0.008 177.577 177.584 0.000 0.000 1.194 162 A CA 0.086 52.070 52.037 -0.087 0.000 0.809 162 A CB -0.228 18.720 19.000 -0.086 0.000 0.814 162 A HN -0.119 7.759 8.150 -0.125 0.197 0.482 163 G N -1.957 106.886 108.800 0.073 0.000 2.198 163 G HA2 -0.329 nan 3.960 nan 0.000 0.260 163 G HA3 -0.329 nan 3.960 nan 0.000 0.260 163 G C 0.755 175.782 174.900 0.213 0.000 1.025 163 G CA 0.048 45.319 45.100 0.285 0.000 0.769 163 G HN -0.243 7.849 8.290 0.019 0.209 0.507 164 G N -2.002 106.836 108.800 0.064 0.000 2.712 164 G HA2 -0.058 nan 3.960 nan 0.000 0.212 164 G HA3 -0.058 nan 3.960 nan 0.000 0.212 164 G C -1.121 173.673 174.900 -0.177 0.000 1.142 164 G CA -0.310 44.725 45.100 -0.109 0.000 0.789 164 G HN 0.215 8.511 8.290 0.052 0.025 0.535 165 F N -1.303 118.721 119.950 0.123 0.000 2.480 165 F HA 0.165 nan 4.527 nan 0.000 0.329 165 F C -0.444 175.489 175.800 0.223 0.000 1.091 165 F CA -1.283 56.785 58.000 0.114 0.000 0.972 165 F CB 2.642 41.678 39.000 0.061 0.000 1.150 165 F HN -0.783 7.656 8.300 0.307 0.046 0.467 166 E N 2.278 122.715 120.200 0.395 0.000 2.349 166 E HA 0.068 nan 4.350 nan 0.000 0.262 166 E C -0.792 176.000 176.600 0.321 0.000 1.088 166 E CA -0.943 55.678 56.400 0.368 0.000 0.899 166 E CB 1.267 31.093 29.700 0.209 0.000 1.044 166 E HN 0.109 8.687 8.360 0.363 0.000 0.420 167 E N 0.972 121.376 120.200 0.340 0.000 2.529 167 E HA -0.463 nan 4.350 nan 0.000 0.259 167 E C 0.688 177.356 176.600 0.115 0.000 0.966 167 E CA 1.957 58.472 56.400 0.191 0.000 0.937 167 E CB -0.319 29.503 29.700 0.204 0.000 0.923 167 E HN 0.363 8.997 8.360 0.457 0.000 0.468 168 G N 5.018 113.852 108.800 0.056 0.000 2.189 168 G HA2 -0.424 nan 3.960 nan 0.000 0.267 168 G HA3 -0.424 nan 3.960 nan 0.000 0.267 168 G C 0.422 175.319 174.900 -0.006 0.000 0.975 168 G CA 0.907 46.019 45.100 0.021 0.000 0.644 168 G HN 0.731 9.045 8.290 0.040 0.000 0.537 169 K N -0.317 120.091 120.400 0.013 0.000 2.418 169 K HA -0.042 nan 4.320 nan 0.000 0.195 169 K C -1.643 174.826 176.600 -0.218 0.000 1.035 169 K CA -0.503 55.776 56.287 -0.015 0.000 1.003 169 K CB 0.552 33.139 32.500 0.145 0.000 0.793 169 K HN 0.142 8.239 8.250 0.063 0.191 0.494 170 A N -5.499 117.148 122.820 -0.288 0.000 2.590 170 A HA 0.334 nan 4.320 nan 0.000 0.294 170 A C -2.691 174.721 177.584 -0.287 0.000 1.046 170 A CA -0.907 50.849 52.037 -0.469 0.000 0.684 170 A CB 2.141 20.499 19.000 -1.070 0.000 1.279 170 A HN -0.616 7.388 8.150 -0.166 0.046 0.415 171 C N -3.315 115.834 119.300 -0.251 0.000 3.318 171 C HA 0.930 nan 4.460 nan 0.000 0.322 171 C C -2.596 172.270 174.990 -0.207 0.000 1.398 171 C CA -2.509 56.414 59.018 -0.158 0.000 1.339 171 C CB 4.041 31.707 27.740 -0.123 0.000 1.668 171 C HN 0.240 8.295 8.230 -0.291 0.000 0.462 172 L N -0.123 120.991 121.223 -0.181 0.000 2.307 172 L HA 0.824 nan 4.340 nan 0.000 0.284 172 L C -1.849 174.793 176.870 -0.381 0.000 1.023 172 L CA -0.991 53.651 54.840 -0.330 0.000 0.810 172 L CB 2.796 44.626 42.059 -0.382 0.000 1.231 172 L HN 0.232 8.414 8.230 -0.080 0.000 0.423 173 R N 4.093 124.238 120.500 -0.591 0.000 2.803 173 R HA 0.767 nan 4.340 nan 0.000 0.276 173 R C -1.805 174.224 176.300 -0.453 0.000 0.978 173 R CA -2.768 53.005 56.100 -0.546 0.000 0.939 173 R CB 4.149 34.020 30.300 -0.715 0.000 1.179 173 R HN 0.744 8.546 8.270 -0.780 0.000 0.472 174 A N 1.521 124.181 122.820 -0.267 0.000 2.363 174 A HA 0.185 nan 4.320 nan 0.000 0.270 174 A C -1.357 176.190 177.584 -0.062 0.000 1.121 174 A CA -1.242 50.703 52.037 -0.154 0.000 0.800 174 A CB 0.761 19.566 19.000 -0.326 0.000 1.052 174 A HN 0.651 8.648 8.150 -0.255 0.000 0.493 175 K N 6.045 126.524 120.400 0.131 0.000 2.150 175 K HA 0.052 nan 4.320 nan 0.000 0.261 175 K C -0.865 175.773 176.600 0.065 0.000 1.127 175 K CA 0.154 56.564 56.287 0.205 0.000 0.989 175 K CB -1.083 31.569 32.500 0.254 0.000 1.475 175 K HN 0.071 8.308 8.250 0.203 0.135 0.391 176 I N 3.036 123.547 120.570 -0.098 0.000 5.802 176 I HA 0.195 nan 4.170 nan 0.000 0.233 176 I C -0.278 175.802 176.117 -0.062 0.000 0.873 176 I CA 0.209 61.392 61.300 -0.195 0.000 1.955 176 I CB 1.358 39.042 38.000 -0.526 0.000 1.439 176 I HN 0.196 8.626 8.210 -0.084 -0.271 0.475 177 D N -0.403 119.953 120.400 -0.072 0.000 2.375 177 D HA 0.203 nan 4.640 nan 0.000 0.241 177 D C 0.124 176.423 176.300 -0.001 0.000 1.361 177 D CA -0.817 53.176 54.000 -0.012 0.000 0.995 177 D CB 0.920 41.724 40.800 0.007 0.000 1.312 177 D HN -0.340 7.955 8.370 -0.124 0.000 0.576 178 M N 4.901 124.509 119.600 0.014 0.000 2.629 178 M HA -0.145 nan 4.480 nan 0.000 0.257 178 M C 0.267 176.579 176.300 0.021 0.000 1.071 178 M CA 1.187 56.503 55.300 0.026 0.000 1.077 178 M CB -0.871 31.757 32.600 0.045 0.000 1.423 178 M HN 0.449 8.750 8.290 0.018 0.000 0.508 179 A N -3.637 119.193 122.820 0.016 0.000 2.470 179 A HA 0.173 nan 4.320 nan 0.000 0.251 179 A C -0.203 177.389 177.584 0.014 0.000 1.245 179 A CA -0.979 51.064 52.037 0.010 0.000 0.932 179 A CB -0.051 18.953 19.000 0.007 0.000 1.037 179 A HN -0.356 8.040 8.150 0.017 -0.236 0.522 180 S N 1.251 116.969 115.700 0.030 0.000 2.568 180 S HA 0.034 nan 4.470 nan 0.000 0.282 180 S C -0.776 173.839 174.600 0.026 0.000 1.338 180 S CA -1.956 56.281 58.200 0.061 0.000 1.045 180 S CB 0.758 64.022 63.200 0.107 0.000 0.873 180 S HN -0.371 7.783 8.310 0.026 0.171 0.516 181 P HA 0.014 nan 4.420 nan 0.000 0.233 181 P C -0.761 176.359 177.300 -0.301 0.000 1.167 181 P CA 0.894 63.884 63.100 -0.182 0.000 0.770 181 P CB 0.231 31.768 31.700 -0.272 0.000 0.837 182 F N -0.610 119.331 119.950 -0.014 0.000 2.390 182 F HA 0.055 nan 4.527 nan 0.000 0.361 182 F C 1.006 176.792 175.800 -0.023 0.000 1.124 182 F CA -0.244 57.747 58.000 -0.015 0.000 1.149 182 F CB -0.110 38.884 39.000 -0.010 0.000 1.160 182 F HN -0.595 7.761 8.300 0.172 0.047 0.501 183 I N 6.759 127.378 120.570 0.083 0.000 2.315 183 I HA -0.380 nan 4.170 nan 0.000 0.251 183 I C 1.458 177.611 176.117 0.059 0.000 1.125 183 I CA 2.962 64.291 61.300 0.048 0.000 1.392 183 I CB -0.323 37.687 38.000 0.017 0.000 1.065 183 I HN 0.406 8.638 8.210 0.037 0.000 0.424 184 V N -0.349 119.621 119.914 0.095 0.000 2.594 184 V HA -0.211 nan 4.120 nan 0.000 0.253 184 V C 0.476 176.571 176.094 0.001 0.000 1.069 184 V CA 2.360 64.695 62.300 0.058 0.000 1.082 184 V CB -0.514 31.360 31.823 0.085 0.000 0.680 184 V HN -0.133 8.121 8.190 0.147 0.025 0.469 185 M N -5.272 114.335 119.600 0.012 0.000 2.618 185 M HA 0.036 nan 4.480 nan 0.000 0.240 185 M C 0.223 176.465 176.300 -0.096 0.000 1.123 185 M CA -0.834 54.408 55.300 -0.097 0.000 1.060 185 M CB -1.053 31.509 32.600 -0.065 0.000 1.535 185 M HN -0.664 7.558 8.290 0.103 0.130 0.507 186 R N 1.837 122.315 120.500 -0.036 0.000 3.710 186 R HA -0.053 nan 4.340 nan 0.000 0.201 186 R C -1.042 175.238 176.300 -0.034 0.000 1.641 186 R CA -0.532 55.556 56.100 -0.020 0.000 1.390 186 R CB -2.374 27.933 30.300 0.012 0.000 1.341 186 R HN -0.631 7.450 8.270 -0.008 0.184 0.728 187 D N -0.770 119.583 120.400 -0.078 0.000 2.737 187 D HA -0.280 nan 4.640 nan 0.000 0.238 187 D C -1.929 174.306 176.300 -0.109 0.000 1.157 187 D CA 0.927 54.882 54.000 -0.076 0.000 0.694 187 D CB -1.070 39.758 40.800 0.047 0.000 1.021 187 D HN -0.278 7.975 8.370 -0.117 0.047 0.420 188 P HA -0.120 nan 4.420 nan 0.000 0.266 188 P C -0.787 176.433 177.300 -0.134 0.000 1.195 188 P CA 0.097 63.133 63.100 -0.106 0.000 0.768 188 P CB 0.545 32.189 31.700 -0.093 0.000 0.838 189 V N 0.723 120.574 119.914 -0.106 0.000 2.740 189 V HA 0.040 nan 4.120 nan 0.000 0.303 189 V C 0.424 176.436 176.094 -0.136 0.000 1.054 189 V CA 1.209 63.429 62.300 -0.132 0.000 1.106 189 V CB -0.154 31.617 31.823 -0.087 0.000 0.957 189 V HN 0.260 8.407 8.190 -0.070 0.000 0.486 190 L N 4.317 125.417 121.223 -0.205 0.000 2.467 190 L HA 0.314 nan 4.340 nan 0.000 0.213 190 L C -0.840 175.819 176.870 -0.351 0.000 1.053 190 L CA 0.558 55.202 54.840 -0.328 0.000 0.847 190 L CB 2.429 44.148 42.059 -0.567 0.000 1.075 190 L HN 0.831 8.822 8.230 -0.213 0.111 0.479 191 Y N -3.322 116.865 120.300 -0.190 0.000 2.470 191 Y HA 0.292 nan 4.550 nan 0.000 0.341 191 Y C -2.151 173.715 175.900 -0.057 0.000 1.021 191 Y CA -0.844 57.209 58.100 -0.078 0.000 1.025 191 Y CB 4.021 42.489 38.460 0.013 0.000 1.266 191 Y HN -0.689 7.558 8.280 -0.055 0.000 0.448 192 R N -0.435 120.148 120.500 0.139 0.000 2.867 192 R HA 0.692 nan 4.340 nan 0.000 0.268 192 R C -1.916 174.433 176.300 0.082 0.000 1.014 192 R CA -2.583 53.560 56.100 0.072 0.000 0.946 192 R CB 2.666 32.987 30.300 0.035 0.000 1.208 192 R HN 0.264 8.618 8.270 0.141 0.000 0.477 193 I N 0.583 121.160 120.570 0.011 0.000 2.331 193 I HA 0.306 nan 4.170 nan 0.000 0.292 193 I C -0.365 175.705 176.117 -0.078 0.000 0.998 193 I CA 0.081 61.327 61.300 -0.089 0.000 1.267 193 I CB 0.524 38.438 38.000 -0.144 0.000 1.386 193 I HN 0.446 8.657 8.210 0.001 0.000 0.476 194 K N 6.209 126.567 120.400 -0.071 0.000 2.578 194 K HA 0.253 nan 4.320 nan 0.000 0.250 194 K C -0.585 176.021 176.600 0.011 0.000 0.955 194 K CA -0.887 55.425 56.287 0.042 0.000 0.825 194 K CB 2.561 35.152 32.500 0.151 0.000 1.151 194 K HN 0.591 8.693 8.250 -0.074 0.103 0.432 195 F N 6.188 126.251 119.950 0.189 0.000 2.606 195 F HA 0.043 nan 4.527 nan 0.000 0.347 195 F C -0.737 175.160 175.800 0.161 0.000 1.207 195 F CA -0.326 57.773 58.000 0.166 0.000 1.306 195 F CB -0.832 38.231 39.000 0.105 0.000 1.657 195 F HN 0.084 8.776 8.300 0.225 -0.257 0.606 196 A N 2.307 125.318 122.820 0.317 0.000 2.401 196 A HA 0.203 nan 4.320 nan 0.000 0.310 196 A C -2.279 175.464 177.584 0.266 0.000 1.075 196 A CA -1.307 50.866 52.037 0.228 0.000 0.746 196 A CB 2.381 21.457 19.000 0.128 0.000 1.277 196 A HN -0.476 7.842 8.150 0.370 0.054 0.425 197 E N 0.670 120.992 120.200 0.202 0.000 2.316 197 E HA -0.117 nan 4.350 nan 0.000 0.275 197 E C -0.909 175.826 176.600 0.225 0.000 1.029 197 E CA -0.145 56.381 56.400 0.211 0.000 0.871 197 E CB 0.763 30.546 29.700 0.139 0.000 1.022 197 E HN 0.168 8.624 8.360 0.159 0.000 0.418 198 H N 7.046 126.231 119.070 0.191 0.000 2.473 198 H HA 0.257 nan 4.556 nan 0.000 0.327 198 H C 0.432 175.787 175.328 0.045 0.000 1.105 198 H CA -0.877 55.250 56.048 0.132 0.000 1.280 198 H CB 2.704 32.629 29.762 0.271 0.000 1.450 198 H HN 0.814 9.217 8.280 0.401 0.117 0.492 199 H N 3.092 121.942 119.070 -0.367 0.000 2.568 199 H HA -0.155 nan 4.556 nan 0.000 0.281 199 H C 0.207 175.468 175.328 -0.111 0.000 1.028 199 H CA 1.839 57.755 56.048 -0.220 0.000 1.199 199 H CB -0.509 29.088 29.762 -0.275 0.000 1.352 199 H HN 0.622 8.533 8.280 -0.615 0.000 0.605 200 Q N -2.658 117.060 119.800 -0.137 0.000 2.459 200 Q HA 0.106 nan 4.340 nan 0.000 0.260 200 Q C 1.104 177.134 176.000 0.050 0.000 0.828 200 Q CA 1.178 56.925 55.803 -0.094 0.000 0.987 200 Q CB 1.829 30.391 28.738 -0.293 0.000 1.216 200 Q HN -0.066 8.197 8.270 0.128 0.084 0.558 201 T N -5.086 109.621 114.554 0.255 0.000 3.105 201 T HA 0.408 nan 4.350 nan 0.000 0.253 201 T C 1.198 176.032 174.700 0.223 0.000 1.047 201 T CA -0.682 61.550 62.100 0.220 0.000 0.944 201 T CB 0.822 69.894 68.868 0.341 0.000 1.016 201 T HN -0.334 8.291 8.240 0.641 0.000 0.544 202 G N 3.486 112.409 108.800 0.205 0.000 2.665 202 G HA2 -0.570 nan 3.960 nan 0.000 0.326 202 G HA3 -0.570 nan 3.960 nan 0.000 0.326 202 G C -1.089 173.929 174.900 0.198 0.000 1.231 202 G CA 2.063 47.258 45.100 0.158 0.000 0.992 202 G HN 0.213 8.562 8.290 0.201 0.061 0.549 203 N N 2.556 121.334 118.700 0.129 0.000 2.282 203 N HA 0.142 nan 4.740 nan 0.000 0.240 203 N C 0.227 175.760 175.510 0.040 0.000 1.182 203 N CA -0.561 52.564 53.050 0.125 0.000 0.874 203 N CB -0.217 38.327 38.487 0.095 0.000 1.126 203 N HN 0.007 8.436 8.380 0.083 0.000 0.516 204 K N 1.079 121.479 120.400 -0.001 0.000 2.148 204 K HA -0.180 nan 4.320 nan 0.000 0.204 204 K C -0.353 175.973 176.600 -0.456 0.000 1.050 204 K CA 2.787 58.932 56.287 -0.237 0.000 0.942 204 K CB 0.462 32.807 32.500 -0.258 0.000 0.724 204 K HN -0.376 7.850 8.250 0.082 0.074 0.446 205 W N -3.011 118.205 121.300 -0.140 0.000 2.632 205 W HA 0.046 nan 4.660 nan 0.000 0.328 205 W C -0.826 175.443 176.519 -0.417 0.000 1.044 205 W CA -1.273 55.845 57.345 -0.378 0.000 1.225 205 W CB 2.317 31.377 29.460 -0.668 0.000 1.396 205 W HN -0.663 7.596 8.180 0.167 0.021 0.499 206 C N -0.999 118.194 119.300 -0.178 0.000 3.336 206 C HA 0.318 nan 4.460 nan 0.000 0.291 206 C C -1.289 173.495 174.990 -0.342 0.000 1.363 206 C CA -1.870 57.005 59.018 -0.238 0.000 1.737 206 C CB 1.236 28.831 27.740 -0.242 0.000 2.274 206 C HN 0.640 8.785 8.230 -0.143 0.000 0.663 207 I N -3.568 116.791 120.570 -0.352 0.000 2.465 207 I HA 0.674 nan 4.170 nan 0.000 0.291 207 I C -2.010 173.881 176.117 -0.378 0.000 1.014 207 I CA -1.658 59.530 61.300 -0.186 0.000 1.093 207 I CB 2.830 40.776 38.000 -0.090 0.000 1.267 207 I HN -1.026 7.002 8.210 -0.302 0.000 0.431 208 Y N 3.880 124.175 120.300 -0.008 0.000 2.425 208 Y HA 0.486 nan 4.550 nan 0.000 0.344 208 Y C -1.729 173.958 175.900 -0.354 0.000 0.969 208 Y CA -2.761 55.181 58.100 -0.263 0.000 1.052 208 Y CB 2.897 41.240 38.460 -0.195 0.000 1.215 208 Y HN 0.560 8.964 8.280 0.207 0.000 0.451 209 P HA 0.186 nan 4.420 nan 0.000 0.275 209 P C -1.415 175.768 177.300 -0.195 0.000 1.228 209 P CA -0.208 62.487 63.100 -0.674 0.000 0.786 209 P CB 0.748 32.187 31.700 -0.436 0.000 0.927 210 M N 0.843 120.358 119.600 -0.142 0.000 2.291 210 M HA 0.112 nan 4.480 nan 0.000 0.324 210 M C 1.318 177.679 176.300 0.101 0.000 1.148 210 M CA -1.638 53.675 55.300 0.022 0.000 1.104 210 M CB 0.355 32.967 32.600 0.020 0.000 1.483 210 M HN -0.005 8.137 8.290 -0.247 0.000 0.467 211 Y N 3.136 123.475 120.300 0.065 0.000 2.030 211 Y HA -0.583 nan 4.550 nan 0.000 0.272 211 Y C 1.372 177.331 175.900 0.099 0.000 1.185 211 Y CA 4.840 62.991 58.100 0.084 0.000 1.120 211 Y CB -0.301 38.207 38.460 0.080 0.000 0.955 211 Y HN 0.373 8.820 8.280 0.278 0.000 0.495 212 D N -1.967 118.423 120.400 -0.017 0.000 2.149 212 D HA -0.417 nan 4.640 nan 0.000 0.198 212 D C 2.299 178.554 176.300 -0.075 0.000 0.990 212 D CA 3.594 57.542 54.000 -0.087 0.000 0.839 212 D CB -0.624 40.267 40.800 0.152 0.000 0.948 212 D HN 0.124 8.684 8.370 0.317 0.000 0.460 213 F N 0.076 119.932 119.950 -0.156 0.000 2.234 213 F HA -0.117 nan 4.527 nan 0.000 0.296 213 F C 1.129 176.808 175.800 -0.201 0.000 1.089 213 F CA 2.738 60.643 58.000 -0.158 0.000 1.343 213 F CB 0.448 39.361 39.000 -0.144 0.000 1.040 213 F HN -0.697 7.688 8.300 0.142 0.000 0.498 214 T N 2.758 117.211 114.554 -0.168 0.000 2.812 214 T HA -0.308 nan 4.350 nan 0.000 0.264 214 T C 1.891 176.409 174.700 -0.303 0.000 1.042 214 T CA 5.089 67.067 62.100 -0.203 0.000 1.140 214 T CB -0.517 68.344 68.868 -0.012 0.000 0.870 214 T HN -0.007 8.210 8.240 -0.039 0.000 0.445 215 H N 1.903 120.689 119.070 -0.474 0.000 2.353 215 H HA -0.260 nan 4.556 nan 0.000 0.300 215 H C 1.782 176.826 175.328 -0.474 0.000 1.090 215 H CA 4.589 60.346 56.048 -0.485 0.000 1.327 215 H CB 0.523 29.830 29.762 -0.759 0.000 1.383 215 H HN 0.330 8.396 8.280 -0.357 0.000 0.508 216 C N -3.930 114.998 119.300 -0.620 0.000 2.486 216 C HA -0.072 nan 4.460 nan 0.000 0.279 216 C C 1.676 176.202 174.990 -0.773 0.000 1.302 216 C CA 1.886 60.312 59.018 -0.988 0.000 1.720 216 C CB -0.893 25.998 27.740 -1.415 0.000 2.030 216 C HN -0.391 7.508 8.230 -0.552 0.000 0.490 217 I N 1.758 121.894 120.570 -0.722 0.000 2.226 217 I HA -0.617 nan 4.170 nan 0.000 0.245 217 I C 1.938 177.690 176.117 -0.609 0.000 1.100 217 I CA 4.161 65.051 61.300 -0.683 0.000 1.374 217 I CB -0.380 37.179 38.000 -0.735 0.000 1.057 217 I HN -0.627 7.146 8.210 -0.728 0.000 0.413 218 S N 0.652 115.997 115.700 -0.593 0.000 2.356 218 S HA -0.429 nan 4.470 nan 0.000 0.223 218 S C 2.134 176.399 174.600 -0.558 0.000 1.032 218 S CA 3.914 61.721 58.200 -0.656 0.000 1.005 218 S CB -0.333 62.629 63.200 -0.396 0.000 0.867 218 S HN -0.054 7.929 8.310 -0.544 0.000 0.449 219 D N 1.932 122.024 120.400 -0.513 0.000 2.092 219 D HA -0.263 nan 4.640 nan 0.000 0.193 219 D C 2.152 178.243 176.300 -0.348 0.000 0.994 219 D CA 3.210 56.973 54.000 -0.395 0.000 0.828 219 D CB -0.308 40.314 40.800 -0.296 0.000 0.963 219 D HN -0.685 7.339 8.370 -0.578 0.000 0.450 220 A N -0.461 122.129 122.820 -0.383 0.000 1.883 220 A HA -0.214 nan 4.320 nan 0.000 0.217 220 A C 2.987 180.404 177.584 -0.280 0.000 1.186 220 A CA 2.965 54.813 52.037 -0.315 0.000 0.624 220 A CB -0.461 18.314 19.000 -0.375 0.000 0.822 220 A HN 0.095 7.967 8.150 -0.465 0.000 0.444 221 L N -3.239 117.770 121.223 -0.355 0.000 2.083 221 L HA -0.311 nan 4.340 nan 0.000 0.209 221 L C 1.884 178.616 176.870 -0.230 0.000 1.083 221 L CA 2.710 57.369 54.840 -0.302 0.000 0.752 221 L CB -0.097 41.683 42.059 -0.466 0.000 0.899 221 L HN 0.083 8.044 8.230 -0.450 0.000 0.433 222 E N -4.959 115.074 120.200 -0.278 0.000 2.502 222 E HA -0.005 nan 4.350 nan 0.000 0.194 222 E C 0.482 176.936 176.600 -0.243 0.000 1.062 222 E CA -0.086 56.184 56.400 -0.216 0.000 0.867 222 E CB 0.670 30.218 29.700 -0.254 0.000 0.888 222 E HN -0.440 7.624 8.360 -0.362 0.078 0.510 223 G N -0.783 107.897 108.800 -0.200 0.000 2.246 223 G HA2 -0.355 nan 3.960 nan 0.000 0.273 223 G HA3 -0.355 nan 3.960 nan 0.000 0.273 223 G C -0.198 174.589 174.900 -0.189 0.000 1.055 223 G CA 0.289 45.312 45.100 -0.128 0.000 0.851 223 G HN -0.410 7.558 8.290 -0.208 0.197 0.500 224 I N -0.781 119.620 120.570 -0.281 0.000 2.588 224 I HA -0.145 nan 4.170 nan 0.000 0.283 224 I C 0.807 176.840 176.117 -0.140 0.000 1.119 224 I CA 0.157 61.301 61.300 -0.260 0.000 1.419 224 I CB -0.671 37.187 38.000 -0.238 0.000 1.394 224 I HN -0.287 7.756 8.210 -0.278 0.000 0.562 225 T N 3.879 118.356 114.554 -0.128 0.000 3.037 225 T HA 0.097 nan 4.350 nan 0.000 0.252 225 T C -0.035 174.371 174.700 -0.490 0.000 1.073 225 T CA 0.420 62.304 62.100 -0.359 0.000 1.091 225 T CB 1.048 69.532 68.868 -0.638 0.000 0.935 225 T HN 0.845 8.938 8.240 -0.042 0.121 0.488 226 H N 1.671 120.699 119.070 -0.070 0.000 3.181 226 H HA 0.308 nan 4.556 nan 0.000 0.331 226 H C -1.698 173.654 175.328 0.039 0.000 0.988 226 H CA -0.864 55.214 56.048 0.051 0.000 1.449 226 H CB 1.947 31.722 29.762 0.022 0.000 1.749 226 H HN -0.680 7.628 8.280 0.047 0.000 0.501 227 S N 5.409 121.180 115.700 0.119 0.000 2.452 227 S HA 0.274 nan 4.470 nan 0.000 0.284 227 S C -1.558 173.116 174.600 0.124 0.000 1.171 227 S CA -0.211 58.037 58.200 0.081 0.000 1.064 227 S CB 0.555 63.772 63.200 0.029 0.000 0.967 227 S HN 0.776 9.012 8.310 0.058 0.110 0.484 228 L N 5.161 126.482 121.223 0.163 0.000 2.298 228 L HA 0.677 nan 4.340 nan 0.000 0.284 228 L C -0.938 176.120 176.870 0.314 0.000 1.013 228 L CA -1.202 53.799 54.840 0.268 0.000 0.824 228 L CB 0.492 42.682 42.059 0.218 0.000 1.221 228 L HN 0.278 8.589 8.230 0.135 0.000 0.418 229 C N -0.287 119.142 119.300 0.215 0.000 3.336 229 C HA 0.627 nan 4.460 nan 0.000 0.352 229 C C -1.045 173.731 174.990 -0.357 0.000 1.567 229 C CA -2.420 56.598 59.018 0.001 0.000 1.328 229 C CB 2.502 30.129 27.740 -0.189 0.000 1.922 229 C HN 0.524 8.875 8.230 0.203 0.000 0.439 230 T N -3.101 111.271 114.554 -0.304 0.000 2.847 230 T HA 0.374 nan 4.350 nan 0.000 0.279 230 T C 1.474 176.110 174.700 -0.107 0.000 0.984 230 T CA -0.586 61.256 62.100 -0.430 0.000 0.988 230 T CB 1.256 69.956 68.868 -0.280 0.000 1.040 230 T HN 0.112 8.320 8.240 -0.054 0.000 0.528 231 L N 1.554 122.686 121.223 -0.153 0.000 2.189 231 L HA -0.350 nan 4.340 nan 0.000 0.214 231 L C 1.583 178.408 176.870 -0.075 0.000 1.097 231 L CA 3.109 57.908 54.840 -0.068 0.000 0.764 231 L CB -0.509 41.510 42.059 -0.068 0.000 0.900 231 L HN 0.208 8.299 8.230 -0.232 0.000 0.436 232 E N -2.273 117.824 120.200 -0.171 0.000 2.515 232 E HA -0.229 nan 4.350 nan 0.000 0.201 232 E C 1.190 177.543 176.600 -0.412 0.000 1.071 232 E CA 2.613 58.821 56.400 -0.319 0.000 0.880 232 E CB -1.083 28.322 29.700 -0.491 0.000 0.828 232 E HN 0.306 8.531 8.360 -0.169 0.033 0.540 233 F N -2.430 117.472 119.950 -0.081 0.000 2.664 233 F HA 0.238 nan 4.527 nan 0.000 0.303 233 F C 0.409 176.195 175.800 -0.024 0.000 1.092 233 F CA -0.040 57.930 58.000 -0.051 0.000 1.305 233 F CB -0.259 38.702 39.000 -0.065 0.000 1.054 233 F HN -0.477 7.770 8.300 0.058 0.088 0.565 234 Q N 0.621 120.482 119.800 0.102 0.000 2.096 234 Q HA -0.373 nan 4.340 nan 0.000 0.204 234 Q C 2.627 178.685 176.000 0.097 0.000 0.982 234 Q CA 4.003 59.855 55.803 0.082 0.000 0.850 234 Q CB -0.362 28.414 28.738 0.063 0.000 0.901 234 Q HN -0.446 7.786 8.270 0.046 0.066 0.422 235 G N -2.166 106.705 108.800 0.118 0.000 2.404 235 G HA2 -0.270 nan 3.960 nan 0.000 0.215 235 G HA3 -0.270 nan 3.960 nan 0.000 0.215 235 G C 1.208 176.176 174.900 0.112 0.000 1.174 235 G CA 1.442 46.652 45.100 0.182 0.000 0.780 235 G HN 0.414 8.752 8.290 0.080 0.000 0.537 236 N N 1.389 120.177 118.700 0.147 0.000 2.192 236 N HA -0.404 nan 4.740 nan 0.000 0.188 236 N C 1.754 177.358 175.510 0.158 0.000 1.013 236 N CA 3.255 56.428 53.050 0.204 0.000 0.863 236 N CB -0.443 38.289 38.487 0.408 0.000 0.990 236 N HN -0.106 8.361 8.380 0.145 0.000 0.430 237 R N 0.205 120.760 120.500 0.092 0.000 2.133 237 R HA -0.466 nan 4.340 nan 0.000 0.247 237 R C 1.899 178.218 176.300 0.032 0.000 1.151 237 R CA 3.389 59.500 56.100 0.019 0.000 0.971 237 R CB -0.168 30.086 30.300 -0.076 0.000 0.866 237 R HN -0.300 7.908 8.270 0.097 0.121 0.447 238 R N -2.012 118.436 120.500 -0.086 0.000 2.105 238 R HA -0.285 nan 4.340 nan 0.000 0.239 238 R C 2.731 179.040 176.300 0.015 0.000 1.135 238 R CA 2.696 58.700 56.100 -0.160 0.000 0.967 238 R CB -0.855 29.123 30.300 -0.536 0.000 0.861 238 R HN -0.374 7.805 8.270 -0.128 0.014 0.442 239 L N -0.721 120.537 121.223 0.057 0.000 2.240 239 L HA -0.182 nan 4.340 nan 0.000 0.211 239 L C 0.861 177.848 176.870 0.196 0.000 1.106 239 L CA 2.021 56.935 54.840 0.124 0.000 0.793 239 L CB -0.522 41.587 42.059 0.082 0.000 0.927 239 L HN -0.222 7.913 8.230 0.040 0.118 0.446 240 Y N 1.071 121.389 120.300 0.030 0.000 2.070 240 Y HA -0.608 nan 4.550 nan 0.000 0.280 240 Y C 1.330 177.195 175.900 -0.059 0.000 1.148 240 Y CA 4.556 62.637 58.100 -0.032 0.000 1.125 240 Y CB -0.098 38.343 38.460 -0.033 0.000 0.975 240 Y HN -0.222 8.084 8.280 0.260 0.129 0.492 241 D N -2.160 118.407 120.400 0.278 0.000 2.144 241 D HA -0.345 nan 4.640 nan 0.000 0.200 241 D C 2.038 178.412 176.300 0.124 0.000 0.978 241 D CA 3.255 57.384 54.000 0.215 0.000 0.833 241 D CB -0.625 40.354 40.800 0.300 0.000 0.961 241 D HN -0.142 8.417 8.370 0.315 0.000 0.470 242 W N 1.018 122.307 121.300 -0.017 0.000 2.358 242 W HA -0.396 nan 4.660 nan 0.000 0.303 242 W C 1.799 178.276 176.519 -0.071 0.000 1.208 242 W CA 4.474 61.801 57.345 -0.030 0.000 1.274 242 W CB 0.217 29.665 29.460 -0.019 0.000 1.138 242 W HN -0.356 7.934 8.180 0.307 0.074 0.515 243 V N -0.906 119.091 119.914 0.138 0.000 2.261 243 V HA -0.566 nan 4.120 nan 0.000 0.246 243 V C 2.334 178.208 176.094 -0.367 0.000 1.047 243 V CA 4.703 66.950 62.300 -0.088 0.000 1.015 243 V CB -0.744 31.054 31.823 -0.042 0.000 0.642 243 V HN -0.266 8.074 8.190 0.249 0.000 0.446 244 L N -2.385 118.574 121.223 -0.440 0.000 2.191 244 L HA -0.392 nan 4.340 nan 0.000 0.212 244 L C 2.728 179.376 176.870 -0.370 0.000 1.103 244 L CA 2.792 57.312 54.840 -0.535 0.000 0.769 244 L CB -0.870 40.671 42.059 -0.863 0.000 0.908 244 L HN -0.518 7.461 8.230 -0.418 0.000 0.438 245 D N -1.955 118.273 120.400 -0.286 0.000 2.269 245 D HA -0.131 nan 4.640 nan 0.000 0.208 245 D C 0.860 176.979 176.300 -0.301 0.000 0.963 245 D CA 2.296 56.173 54.000 -0.204 0.000 0.864 245 D CB -0.304 40.405 40.800 -0.151 0.000 0.936 245 D HN 0.153 8.244 8.370 -0.276 0.114 0.505 246 N N -2.877 115.549 118.700 -0.456 0.000 2.214 246 N HA 0.153 nan 4.740 nan 0.000 0.214 246 N C -1.354 173.983 175.510 -0.288 0.000 1.132 246 N CA 0.117 52.901 53.050 -0.444 0.000 0.856 246 N CB 1.915 39.940 38.487 -0.771 0.000 1.020 246 N HN -0.346 7.575 8.380 -0.519 0.147 0.509 247 I N -5.779 114.640 120.570 -0.252 0.000 2.892 247 I HA 0.409 nan 4.170 nan 0.000 0.306 247 I C -1.227 174.833 176.117 -0.094 0.000 1.078 247 I CA -2.463 58.752 61.300 -0.142 0.000 1.032 247 I CB 2.816 40.654 38.000 -0.270 0.000 1.229 247 I HN -0.848 7.184 8.210 -0.297 0.000 0.435 248 T N 5.814 120.402 114.554 0.057 0.000 2.978 248 T HA 0.080 nan 4.350 nan 0.000 0.278 248 T C -1.164 173.578 174.700 0.071 0.000 0.945 248 T CA 2.114 64.246 62.100 0.053 0.000 1.070 248 T CB -1.261 67.651 68.868 0.074 0.000 0.948 248 T HN 0.241 9.071 8.240 0.154 -0.497 0.617 249 I N 7.090 127.624 120.570 -0.060 0.000 2.582 249 I HA 0.474 nan 4.170 nan 0.000 0.292 249 I C -2.096 173.974 176.117 -0.077 0.000 1.066 249 I CA -3.315 57.925 61.300 -0.101 0.000 1.053 249 I CB 3.051 40.878 38.000 -0.288 0.000 1.241 249 I HN -0.404 7.751 8.210 -0.091 0.000 0.421 250 P HA 0.178 nan 4.420 nan 0.000 0.255 250 P C -1.644 175.636 177.300 -0.033 0.000 1.248 250 P CA 0.235 63.313 63.100 -0.036 0.000 0.807 250 P CB 0.375 32.063 31.700 -0.020 0.000 1.150 251 V N -5.496 114.386 119.914 -0.052 0.000 3.102 251 V HA 0.489 nan 4.120 nan 0.000 0.312 251 V C -2.192 173.896 176.094 -0.010 0.000 1.135 251 V CA -1.920 60.369 62.300 -0.019 0.000 1.022 251 V CB 3.909 35.716 31.823 -0.027 0.000 1.056 251 V HN -0.304 7.792 8.190 -0.089 0.040 0.436 252 H N 1.117 120.142 119.070 -0.074 0.000 2.808 252 H HA 0.400 nan 4.556 nan 0.000 0.268 252 H C -2.716 172.601 175.328 -0.019 0.000 1.306 252 H CA -2.820 53.184 56.048 -0.074 0.000 1.565 252 H CB 1.826 31.548 29.762 -0.067 0.000 1.632 252 H HN 0.274 8.620 8.280 0.110 0.000 0.525 253 P HA -0.106 nan 4.420 nan 0.000 0.271 253 P C -1.339 176.133 177.300 0.287 0.000 1.238 253 P CA -0.067 63.131 63.100 0.163 0.000 0.794 253 P CB 0.679 32.445 31.700 0.110 0.000 0.959 254 R N -0.792 119.734 120.500 0.045 0.000 2.599 254 R HA 0.333 nan 4.340 nan 0.000 0.295 254 R C -1.294 174.766 176.300 -0.399 0.000 0.963 254 R CA -2.574 53.428 56.100 -0.164 0.000 0.883 254 R CB 2.259 32.439 30.300 -0.200 0.000 1.171 254 R HN 0.124 8.382 8.270 -0.019 0.000 0.450 255 Q N 2.909 122.317 119.800 -0.653 0.000 2.235 255 Q HA 0.494 nan 4.340 nan 0.000 0.250 255 Q C -1.105 174.512 176.000 -0.638 0.000 0.909 255 Q CA -0.170 55.276 55.803 -0.595 0.000 0.910 255 Q CB 1.803 30.090 28.738 -0.751 0.000 1.223 255 Q HN 0.433 8.321 8.270 -0.635 0.000 0.432 256 Y N 4.354 124.656 120.300 0.003 0.000 2.386 256 Y HA 0.240 nan 4.550 nan 0.000 0.334 256 Y C -1.920 174.084 175.900 0.173 0.000 1.002 256 Y CA -1.161 57.005 58.100 0.110 0.000 1.068 256 Y CB 3.350 41.875 38.460 0.107 0.000 1.203 256 Y HN 0.966 9.270 8.280 0.040 0.000 0.443 257 E N 3.465 123.872 120.200 0.345 0.000 2.191 257 E HA 0.637 nan 4.350 nan 0.000 0.278 257 E C -1.031 175.821 176.600 0.421 0.000 0.972 257 E CA -0.938 55.607 56.400 0.243 0.000 0.804 257 E CB 1.663 31.432 29.700 0.114 0.000 1.110 257 E HN 0.062 8.632 8.360 0.350 0.000 0.394 258 F N 0.881 121.008 119.950 0.294 0.000 2.639 258 F HA 0.819 nan 4.527 nan 0.000 0.339 258 F C -1.479 174.424 175.800 0.172 0.000 1.071 258 F CA -2.778 55.415 58.000 0.322 0.000 0.994 258 F CB 3.358 42.532 39.000 0.291 0.000 1.341 258 F HN 0.599 8.696 8.300 -0.338 0.000 0.498 259 S N -0.742 115.093 115.700 0.224 0.000 2.562 259 S HA 0.247 nan 4.470 nan 0.000 0.275 259 S C -0.419 174.241 174.600 0.099 0.000 1.281 259 S CA -0.617 57.621 58.200 0.064 0.000 1.045 259 S CB 1.505 64.752 63.200 0.077 0.000 0.962 259 S HN 0.328 8.878 8.310 0.401 0.000 0.503 260 R N 1.220 121.713 120.500 -0.012 0.000 2.679 260 R HA -0.073 nan 4.340 nan 0.000 0.269 260 R C -1.354 174.994 176.300 0.079 0.000 1.076 260 R CA -0.182 55.942 56.100 0.039 0.000 1.160 260 R CB 0.749 31.035 30.300 -0.022 0.000 1.054 260 R HN 0.064 8.298 8.270 -0.060 0.000 0.507 261 L N -0.047 121.237 121.223 0.102 0.000 2.326 261 L HA 0.113 nan 4.340 nan 0.000 0.278 261 L C -1.017 175.872 176.870 0.032 0.000 1.092 261 L CA -0.269 54.622 54.840 0.085 0.000 0.810 261 L CB 0.944 43.079 42.059 0.127 0.000 1.153 261 L HN 0.060 8.368 8.230 0.130 0.000 0.439 262 N N 6.529 125.245 118.700 0.028 0.000 2.399 262 N HA 0.234 nan 4.740 nan 0.000 0.284 262 N C -2.274 173.250 175.510 0.023 0.000 1.025 262 N CA -0.836 52.208 53.050 -0.011 0.000 0.885 262 N CB 2.598 41.066 38.487 -0.033 0.000 1.339 262 N HN -0.046 8.362 8.380 0.047 0.000 0.487 263 L N 1.925 123.154 121.223 0.010 0.000 2.309 263 L HA 0.359 nan 4.340 nan 0.000 0.282 263 L C -1.144 175.730 176.870 0.006 0.000 1.036 263 L CA -1.387 53.480 54.840 0.045 0.000 0.806 263 L CB 2.601 44.688 42.059 0.047 0.000 1.220 263 L HN 0.503 8.715 8.230 -0.030 0.000 0.429 264 E N 5.155 125.364 120.200 0.014 0.000 2.376 264 E HA -0.299 nan 4.350 nan 0.000 0.266 264 E C -0.430 176.187 176.600 0.028 0.000 1.009 264 E CA 0.941 57.291 56.400 -0.082 0.000 0.902 264 E CB 0.481 30.130 29.700 -0.087 0.000 0.972 264 E HN -0.054 8.339 8.360 0.055 0.000 0.439 265 Y N 0.142 120.467 120.300 0.042 0.000 4.929 265 Y HA -0.421 nan 4.550 nan 0.000 0.252 265 Y C -1.933 174.079 175.900 0.186 0.000 0.950 265 Y CA 1.549 59.714 58.100 0.108 0.000 1.935 265 Y CB -2.089 36.442 38.460 0.119 0.000 1.440 265 Y HN 0.778 8.750 8.280 -0.325 0.113 0.567 266 T N -4.151 110.503 114.554 0.166 0.000 2.896 266 T HA 0.190 nan 4.350 nan 0.000 0.297 266 T C -2.293 172.371 174.700 -0.059 0.000 1.108 266 T CA -2.407 59.793 62.100 0.168 0.000 1.004 266 T CB 2.485 71.436 68.868 0.138 0.000 1.159 266 T HN -0.855 7.361 8.240 0.049 0.053 0.499 267 V N -1.690 118.185 119.914 -0.064 0.000 2.581 267 V HA 0.482 nan 4.120 nan 0.000 0.303 267 V C -1.033 174.981 176.094 -0.133 0.000 1.041 267 V CA -1.772 60.411 62.300 -0.195 0.000 0.907 267 V CB 1.486 33.098 31.823 -0.351 0.000 0.994 267 V HN 0.157 8.429 8.190 0.137 0.000 0.442 268 M N 2.477 121.957 119.600 -0.200 0.000 2.449 268 M HA 0.126 nan 4.480 nan 0.000 0.262 268 M C 0.345 176.579 176.300 -0.109 0.000 1.152 268 M CA -0.027 55.104 55.300 -0.281 0.000 1.104 268 M CB 0.963 33.256 32.600 -0.512 0.000 1.416 268 M HN 0.123 8.284 8.290 -0.215 0.000 0.519 269 S N 1.794 117.430 115.700 -0.107 0.000 2.737 269 S HA -0.182 nan 4.470 nan 0.000 0.315 269 S C 1.466 176.098 174.600 0.054 0.000 1.236 269 S CA 0.249 58.422 58.200 -0.045 0.000 1.093 269 S CB 0.422 63.536 63.200 -0.143 0.000 0.832 269 S HN -0.433 7.773 8.310 -0.173 0.000 0.507 270 K N 8.417 128.912 120.400 0.159 0.000 2.152 270 K HA -0.353 nan 4.320 nan 0.000 0.206 270 K C 2.057 178.766 176.600 0.182 0.000 1.048 270 K CA 3.488 59.922 56.287 0.245 0.000 0.933 270 K CB -0.377 32.262 32.500 0.233 0.000 0.721 270 K HN 0.717 9.065 8.250 0.163 0.000 0.447 271 R N -1.916 118.640 120.500 0.094 0.000 2.091 271 R HA -0.282 nan 4.340 nan 0.000 0.238 271 R C 1.980 178.318 176.300 0.064 0.000 1.136 271 R CA 2.922 59.066 56.100 0.073 0.000 0.959 271 R CB -0.362 29.954 30.300 0.027 0.000 0.856 271 R HN -0.189 8.102 8.270 0.067 0.019 0.437 272 K N -1.017 119.372 120.400 -0.018 0.000 2.007 272 K HA -0.216 nan 4.320 nan 0.000 0.206 272 K C 2.334 178.990 176.600 0.093 0.000 1.047 272 K CA 2.961 59.210 56.287 -0.064 0.000 0.937 272 K CB 0.025 32.195 32.500 -0.549 0.000 0.718 272 K HN -0.806 7.311 8.250 -0.055 0.100 0.438 273 L N -1.435 119.821 121.223 0.056 0.000 2.081 273 L HA -0.496 nan 4.340 nan 0.000 0.212 273 L C 2.017 178.747 176.870 -0.232 0.000 1.080 273 L CA 3.023 57.867 54.840 0.007 0.000 0.754 273 L CB -0.664 41.480 42.059 0.141 0.000 0.893 273 L HN 0.276 8.533 8.230 0.045 0.000 0.433 274 N N -1.464 117.177 118.700 -0.099 0.000 2.244 274 N HA -0.281 nan 4.740 nan 0.000 0.183 274 N C 1.848 177.307 175.510 -0.084 0.000 1.016 274 N CA 3.198 56.162 53.050 -0.143 0.000 0.866 274 N CB 0.143 38.737 38.487 0.178 0.000 0.980 274 N HN -0.024 8.286 8.380 0.077 0.117 0.430 275 L N 0.298 121.553 121.223 0.053 0.000 2.156 275 L HA -0.193 nan 4.340 nan 0.000 0.208 275 L C 1.244 178.153 176.870 0.065 0.000 1.095 275 L CA 2.777 57.681 54.840 0.106 0.000 0.770 275 L CB -0.241 41.972 42.059 0.257 0.000 0.914 275 L HN -0.139 8.011 8.230 0.105 0.142 0.439 276 L N -1.626 119.645 121.223 0.080 0.000 2.093 276 L HA -0.427 nan 4.340 nan 0.000 0.208 276 L C 1.889 178.687 176.870 -0.120 0.000 1.085 276 L CA 3.603 58.476 54.840 0.055 0.000 0.755 276 L CB -0.659 41.449 42.059 0.081 0.000 0.904 276 L HN -0.286 8.011 8.230 0.112 0.000 0.435 277 V N -1.410 118.339 119.914 -0.275 0.000 2.346 277 V HA -0.370 nan 4.120 nan 0.000 0.244 277 V C 3.009 178.969 176.094 -0.224 0.000 1.037 277 V CA 4.557 66.638 62.300 -0.364 0.000 1.029 277 V CB -1.017 30.348 31.823 -0.763 0.000 0.663 277 V HN -0.377 7.527 8.190 -0.324 0.091 0.454 278 T N 1.861 116.319 114.554 -0.161 0.000 2.708 278 T HA -0.252 nan 4.350 nan 0.000 0.266 278 T C 1.243 175.868 174.700 -0.125 0.000 1.037 278 T CA 4.137 66.186 62.100 -0.086 0.000 1.146 278 T CB -0.258 68.597 68.868 -0.021 0.000 0.865 278 T HN 0.525 8.549 8.240 -0.169 0.115 0.435 279 D N -1.662 118.628 120.400 -0.184 0.000 2.336 279 D HA 0.066 nan 4.640 nan 0.000 0.229 279 D C -0.462 175.522 176.300 -0.527 0.000 1.061 279 D CA -0.090 53.707 54.000 -0.338 0.000 0.875 279 D CB -0.032 40.536 40.800 -0.387 0.000 0.904 279 D HN -0.262 8.021 8.370 -0.144 0.000 0.525 280 K N -4.803 115.401 120.400 -0.326 0.000 3.035 280 K HA -0.420 nan 4.320 nan 0.000 0.262 280 K C 0.374 176.820 176.600 -0.256 0.000 1.024 280 K CA 1.240 57.379 56.287 -0.247 0.000 0.748 280 K CB -3.165 29.231 32.500 -0.173 0.000 1.247 280 K HN -0.275 7.604 8.250 -0.241 0.226 0.482 281 H N -5.255 113.765 119.070 -0.082 0.000 2.535 281 H HA -0.019 nan 4.556 nan 0.000 0.273 281 H C -0.412 174.866 175.328 -0.084 0.000 0.983 281 H CA 1.565 57.562 56.048 -0.086 0.000 1.238 281 H CB 0.864 30.563 29.762 -0.105 0.000 1.412 281 H HN 0.050 8.149 8.280 -0.275 0.016 0.562 282 V N -7.347 112.560 119.914 -0.011 0.000 3.126 282 V HA 0.397 nan 4.120 nan 0.000 0.314 282 V C -1.253 174.810 176.094 -0.052 0.000 1.138 282 V CA -3.594 58.687 62.300 -0.032 0.000 1.034 282 V CB 2.360 34.143 31.823 -0.067 0.000 1.075 282 V HN -0.898 7.222 8.190 -0.059 0.034 0.442 283 E N -1.170 119.014 120.200 -0.027 0.000 2.208 283 E HA -0.098 nan 4.350 nan 0.000 0.193 283 E C -0.113 176.449 176.600 -0.063 0.000 0.988 283 E CA 1.287 57.676 56.400 -0.018 0.000 0.828 283 E CB 0.949 30.670 29.700 0.035 0.000 0.763 283 E HN 0.037 8.729 8.360 -0.008 -0.337 0.478 284 G N -4.346 104.385 108.800 -0.115 0.000 2.337 284 G HA2 -0.052 nan 3.960 nan 0.000 0.298 284 G HA3 -0.052 nan 3.960 nan 0.000 0.298 284 G C -1.048 173.731 174.900 -0.202 0.000 1.335 284 G CA -0.861 44.134 45.100 -0.175 0.000 0.875 284 G HN -0.739 7.458 8.290 -0.112 0.026 0.579 285 W N -0.949 120.188 121.300 -0.271 0.000 2.292 285 W HA -0.419 nan 4.660 nan 0.000 0.304 285 W C 0.457 176.801 176.519 -0.293 0.000 1.228 285 W CA 3.018 60.125 57.345 -0.397 0.000 1.241 285 W CB 0.038 28.869 29.460 -1.048 0.000 1.142 285 W HN 0.497 8.535 8.180 -0.236 0.000 0.520 286 D N -5.519 114.856 120.400 -0.041 0.000 2.460 286 D HA -0.033 nan 4.640 nan 0.000 0.229 286 D C -0.793 175.460 176.300 -0.079 0.000 1.170 286 D CA -1.002 52.971 54.000 -0.046 0.000 0.827 286 D CB -1.753 39.025 40.800 -0.038 0.000 0.973 286 D HN -0.298 8.018 8.370 -0.052 0.022 0.496 287 D N 1.397 121.748 120.400 -0.082 0.000 2.414 287 D HA 0.054 nan 4.640 nan 0.000 0.242 287 D C -0.050 176.149 176.300 -0.169 0.000 1.129 287 D CA -1.201 52.742 54.000 -0.096 0.000 0.885 287 D CB 2.043 42.800 40.800 -0.070 0.000 1.198 287 D HN -0.143 8.009 8.370 -0.076 0.172 0.437 288 P HA -0.108 nan 4.420 nan 0.000 0.231 288 P C 0.390 177.445 177.300 -0.408 0.000 1.158 288 P CA 1.638 64.444 63.100 -0.491 0.000 0.763 288 P CB 0.193 31.263 31.700 -1.050 0.000 0.805 289 R N -4.062 116.287 120.500 -0.252 0.000 2.280 289 R HA 0.091 nan 4.340 nan 0.000 0.195 289 R C -0.145 176.116 176.300 -0.065 0.000 0.935 289 R CA -0.056 55.977 56.100 -0.112 0.000 1.033 289 R CB 0.352 30.634 30.300 -0.030 0.000 0.964 289 R HN -0.166 8.247 8.270 -0.210 -0.269 0.489 290 M N -0.318 119.242 119.600 -0.067 0.000 2.238 290 M HA 0.069 nan 4.480 nan 0.000 0.347 290 M C -1.197 175.101 176.300 -0.003 0.000 1.173 290 M CA -2.569 52.725 55.300 -0.009 0.000 1.147 290 M CB -0.264 32.337 32.600 0.000 0.000 1.547 290 M HN -0.486 7.580 8.290 -0.101 0.164 0.455 291 P HA 0.149 nan 4.420 nan 0.000 0.255 291 P C -0.925 176.432 177.300 0.095 0.000 1.301 291 P CA 0.143 63.258 63.100 0.025 0.000 0.817 291 P CB 0.308 32.025 31.700 0.028 0.000 1.259 292 T N -3.697 110.938 114.554 0.135 0.000 2.868 292 T HA 0.171 nan 4.350 nan 0.000 0.292 292 T C 1.601 176.365 174.700 0.106 0.000 1.028 292 T CA -1.267 60.959 62.100 0.210 0.000 1.059 292 T CB 1.918 70.945 68.868 0.264 0.000 0.991 292 T HN -0.485 7.704 8.240 0.103 0.113 0.531 293 I N 1.973 122.624 120.570 0.136 0.000 2.226 293 I HA -0.380 nan 4.170 nan 0.000 0.245 293 I C 1.474 177.508 176.117 -0.139 0.000 1.100 293 I CA 3.426 64.759 61.300 0.055 0.000 1.374 293 I CB -1.155 36.924 38.000 0.131 0.000 1.057 293 I HN -0.094 8.240 8.210 0.208 0.000 0.413 294 S N -0.503 115.154 115.700 -0.072 0.000 2.383 294 S HA -0.241 nan 4.470 nan 0.000 0.227 294 S C 2.330 176.843 174.600 -0.145 0.000 1.026 294 S CA 2.994 61.100 58.200 -0.156 0.000 0.981 294 S CB -0.523 62.697 63.200 0.034 0.000 0.818 294 S HN 0.180 8.532 8.310 0.069 0.000 0.472 295 G N 2.428 111.187 108.800 -0.068 0.000 2.433 295 G HA2 -0.260 nan 3.960 nan 0.000 0.216 295 G HA3 -0.260 nan 3.960 nan 0.000 0.216 295 G C 1.026 175.844 174.900 -0.138 0.000 1.186 295 G CA 1.827 46.870 45.100 -0.095 0.000 0.779 295 G HN -0.411 7.879 8.290 0.001 0.000 0.543 296 L N 1.095 122.230 121.223 -0.146 0.000 2.127 296 L HA -0.427 nan 4.340 nan 0.000 0.211 296 L C 1.629 178.467 176.870 -0.054 0.000 1.089 296 L CA 2.703 57.429 54.840 -0.190 0.000 0.757 296 L CB -0.345 41.561 42.059 -0.256 0.000 0.899 296 L HN 0.360 8.408 8.230 -0.112 0.115 0.434 297 R N -1.227 119.161 120.500 -0.186 0.000 2.062 297 R HA -0.294 nan 4.340 nan 0.000 0.229 297 R C 2.675 178.922 176.300 -0.087 0.000 1.128 297 R CA 3.321 59.281 56.100 -0.233 0.000 0.960 297 R CB -0.344 29.467 30.300 -0.816 0.000 0.855 297 R HN -0.035 7.941 8.270 -0.268 0.134 0.432 298 R N -0.550 119.872 120.500 -0.130 0.000 2.152 298 R HA -0.313 nan 4.340 nan 0.000 0.232 298 R C 1.097 177.360 176.300 -0.062 0.000 1.117 298 R CA 2.643 58.689 56.100 -0.091 0.000 0.981 298 R CB -0.244 29.987 30.300 -0.115 0.000 0.870 298 R HN 0.024 8.189 8.270 -0.175 0.000 0.451 299 R N -4.101 116.363 120.500 -0.060 0.000 2.189 299 R HA -0.171 nan 4.340 nan 0.000 0.218 299 R C 0.297 176.641 176.300 0.074 0.000 1.074 299 R CA 1.187 57.262 56.100 -0.041 0.000 0.991 299 R CB 0.132 30.424 30.300 -0.013 0.000 0.883 299 R HN -0.334 7.758 8.270 -0.067 0.138 0.457 300 G N -4.099 104.775 108.800 0.123 0.000 2.183 300 G HA2 -0.234 nan 3.960 nan 0.000 0.168 300 G HA3 -0.234 nan 3.960 nan 0.000 0.168 300 G C -0.123 174.847 174.900 0.117 0.000 1.008 300 G CA -0.559 44.603 45.100 0.104 0.000 0.677 300 G HN -0.468 7.730 8.290 0.119 0.163 0.498 301 Y N 2.085 122.424 120.300 0.064 0.000 2.296 301 Y HA -0.060 nan 4.550 nan 0.000 0.343 301 Y C 0.002 176.019 175.900 0.195 0.000 1.292 301 Y CA 1.524 59.682 58.100 0.097 0.000 1.490 301 Y CB 0.794 39.326 38.460 0.121 0.000 1.359 301 Y HN -0.418 8.149 8.280 0.479 0.000 0.599 302 T N -3.957 110.737 114.554 0.232 0.000 2.841 302 T HA 0.417 nan 4.350 nan 0.000 0.283 302 T C -0.126 174.490 174.700 -0.140 0.000 1.000 302 T CA -2.418 59.718 62.100 0.058 0.000 0.977 302 T CB 2.697 71.526 68.868 -0.064 0.000 0.979 302 T HN 0.168 8.512 8.240 0.175 0.000 0.446 303 A N 4.080 126.490 122.820 -0.682 0.000 1.958 303 A HA -0.412 nan 4.320 nan 0.000 0.221 303 A C 0.827 178.209 177.584 -0.336 0.000 1.178 303 A CA 3.328 54.888 52.037 -0.795 0.000 0.642 303 A CB -0.677 17.639 19.000 -1.140 0.000 0.816 303 A HN 0.702 8.312 8.150 -0.901 0.000 0.453 304 A N -3.252 119.405 122.820 -0.273 0.000 1.933 304 A HA -0.271 nan 4.320 nan 0.000 0.218 304 A C 2.030 179.573 177.584 -0.068 0.000 1.175 304 A CA 2.667 54.606 52.037 -0.165 0.000 0.628 304 A CB -0.944 17.962 19.000 -0.156 0.000 0.814 304 A HN 0.285 8.234 8.150 -0.312 0.014 0.444 305 S N -0.746 114.934 115.700 -0.033 0.000 2.423 305 S HA -0.269 nan 4.470 nan 0.000 0.231 305 S C 2.279 176.966 174.600 0.145 0.000 1.014 305 S CA 2.850 61.075 58.200 0.042 0.000 0.965 305 S CB -0.122 63.091 63.200 0.022 0.000 0.785 305 S HN -0.203 7.961 8.310 -0.060 0.109 0.495 306 I N 3.275 123.936 120.570 0.151 0.000 2.277 306 I HA -0.406 nan 4.170 nan 0.000 0.243 306 I C 1.535 177.776 176.117 0.207 0.000 1.094 306 I CA 3.713 65.147 61.300 0.225 0.000 1.393 306 I CB -0.266 37.863 38.000 0.215 0.000 1.078 306 I HN -0.503 7.639 8.210 0.084 0.118 0.417 307 R N -1.191 119.370 120.500 0.102 0.000 2.105 307 R HA -0.450 nan 4.340 nan 0.000 0.239 307 R C 2.260 178.614 176.300 0.090 0.000 1.135 307 R CA 4.100 60.256 56.100 0.094 0.000 0.967 307 R CB -0.460 29.846 30.300 0.011 0.000 0.861 307 R HN 0.082 8.372 8.270 0.032 0.000 0.442 308 E N -0.456 119.797 120.200 0.088 0.000 2.077 308 E HA -0.265 nan 4.350 nan 0.000 0.193 308 E C 1.843 178.526 176.600 0.138 0.000 0.989 308 E CA 2.629 59.080 56.400 0.085 0.000 0.800 308 E CB -0.660 29.084 29.700 0.073 0.000 0.746 308 E HN -0.486 7.911 8.360 0.076 0.009 0.452 309 F N 0.544 120.523 119.950 0.049 0.000 2.065 309 F HA -0.391 nan 4.527 nan 0.000 0.298 309 F C 1.628 177.458 175.800 0.050 0.000 1.112 309 F CA 3.207 61.243 58.000 0.061 0.000 1.212 309 F CB -0.263 38.789 39.000 0.087 0.000 0.975 309 F HN -0.518 7.899 8.300 0.329 0.080 0.476 310 C N -0.962 118.324 119.300 -0.024 0.000 2.393 310 C HA -0.525 nan 4.460 nan 0.000 0.276 310 C C 2.085 176.995 174.990 -0.134 0.000 1.215 310 C CA 4.249 63.190 59.018 -0.128 0.000 1.743 310 C CB -1.878 25.861 27.740 -0.001 0.000 2.044 310 C HN 0.232 8.567 8.230 0.175 0.000 0.464 311 K N -1.102 119.266 120.400 -0.054 0.000 2.074 311 K HA -0.391 nan 4.320 nan 0.000 0.209 311 K C 2.346 178.904 176.600 -0.070 0.000 1.048 311 K CA 3.129 59.388 56.287 -0.047 0.000 0.926 311 K CB -0.182 32.310 32.500 -0.013 0.000 0.713 311 K HN -0.187 7.996 8.250 -0.005 0.064 0.444 312 R N -2.580 117.870 120.500 -0.083 0.000 2.062 312 R HA -0.185 nan 4.340 nan 0.000 0.229 312 R C 2.407 178.626 176.300 -0.134 0.000 1.128 312 R CA 2.416 58.468 56.100 -0.080 0.000 0.960 312 R CB 0.256 30.543 30.300 -0.022 0.000 0.855 312 R HN -0.286 7.850 8.270 -0.070 0.092 0.432 313 I N -5.950 114.451 120.570 -0.281 0.000 2.567 313 I HA -0.206 nan 4.170 nan 0.000 0.257 313 I C 0.778 176.816 176.117 -0.132 0.000 1.184 313 I CA 0.851 61.997 61.300 -0.256 0.000 1.451 313 I CB -0.215 37.508 38.000 -0.461 0.000 1.089 313 I HN -0.260 7.694 8.210 -0.427 0.000 0.441 314 G N 0.159 108.890 108.800 -0.114 0.000 2.725 314 G HA2 -0.299 nan 3.960 nan 0.000 0.220 314 G HA3 -0.299 nan 3.960 nan 0.000 0.220 314 G C -1.511 173.369 174.900 -0.034 0.000 1.357 314 G CA -0.524 44.542 45.100 -0.056 0.000 0.866 314 G HN -0.702 7.467 8.290 -0.143 0.035 0.548 315 V N 1.384 121.312 119.914 0.023 0.000 2.509 315 V HA 0.343 nan 4.120 nan 0.000 0.289 315 V C -1.189 175.075 176.094 0.284 0.000 1.026 315 V CA -0.534 61.820 62.300 0.090 0.000 0.872 315 V CB 1.332 33.112 31.823 -0.073 0.000 1.017 315 V HN 0.240 8.453 8.190 0.038 0.000 0.436 316 T N 3.626 118.358 114.554 0.297 0.000 2.626 316 T HA 0.514 nan 4.350 nan 0.000 0.279 316 T C -1.200 173.565 174.700 0.107 0.000 0.983 316 T CA -0.779 61.438 62.100 0.195 0.000 1.059 316 T CB 2.776 71.681 68.868 0.063 0.000 1.396 316 T HN -0.008 8.389 8.240 0.262 0.000 0.519 317 K N -2.550 117.769 120.400 -0.135 0.000 2.358 317 K HA 0.137 nan 4.320 nan 0.000 0.200 317 K C -0.529 176.038 176.600 -0.055 0.000 1.030 317 K CA -0.942 55.269 56.287 -0.125 0.000 1.097 317 K CB 0.647 32.983 32.500 -0.274 0.000 0.862 317 K HN 0.256 8.392 8.250 -0.190 0.000 0.534 318 Q N 0.796 120.579 119.800 -0.029 0.000 2.288 318 Q HA -0.059 nan 4.340 nan 0.000 0.254 318 Q C -0.870 175.129 176.000 -0.002 0.000 0.932 318 Q CA 0.306 56.098 55.803 -0.019 0.000 0.902 318 Q CB 1.177 29.908 28.738 -0.013 0.000 1.203 318 Q HN -0.726 7.460 8.270 -0.019 0.073 0.415 319 D N 3.365 123.756 120.400 -0.014 0.000 2.362 319 D HA 0.082 nan 4.640 nan 0.000 0.242 319 D C -0.571 175.725 176.300 -0.007 0.000 1.132 319 D CA 0.820 54.812 54.000 -0.014 0.000 0.907 319 D CB 0.888 41.671 40.800 -0.028 0.000 1.195 319 D HN 0.381 8.738 8.370 -0.023 0.000 0.429 320 N N -1.411 117.287 118.700 -0.003 0.000 3.116 320 N HA 0.104 nan 4.740 nan 0.000 0.244 320 N C -1.890 173.620 175.510 0.001 0.000 1.485 320 N CA 0.006 53.058 53.050 0.002 0.000 0.884 320 N CB 2.317 40.813 38.487 0.016 0.000 1.415 320 N HN -0.027 8.350 8.380 -0.005 0.000 0.524 321 T N -0.396 114.162 114.554 0.007 0.000 3.566 321 T HA 0.110 nan 4.350 nan 0.000 0.330 321 T C -1.372 173.349 174.700 0.035 0.000 0.877 321 T CA 0.136 62.240 62.100 0.008 0.000 1.030 321 T CB 0.933 69.786 68.868 -0.025 0.000 1.033 321 T HN -0.046 8.200 8.240 0.010 0.000 0.463 322 I N 5.900 126.517 120.570 0.079 0.000 2.575 322 I HA 0.017 nan 4.170 nan 0.000 0.285 322 I C -0.478 175.714 176.117 0.126 0.000 1.085 322 I CA -0.792 60.587 61.300 0.132 0.000 1.403 322 I CB 1.549 39.701 38.000 0.254 0.000 1.409 322 I HN 0.293 8.555 8.210 0.088 0.000 0.557 323 E N 5.321 125.597 120.200 0.127 0.000 2.343 323 E HA 0.061 nan 4.350 nan 0.000 0.269 323 E C 1.193 177.881 176.600 0.146 0.000 1.047 323 E CA -0.338 56.136 56.400 0.123 0.000 0.874 323 E CB 0.722 30.490 29.700 0.113 0.000 1.033 323 E HN 0.114 8.551 8.360 0.128 0.000 0.409 324 M N 3.422 123.117 119.600 0.158 0.000 2.267 324 M HA -0.322 nan 4.480 nan 0.000 0.263 324 M C 1.406 177.764 176.300 0.097 0.000 1.063 324 M CA 2.585 57.957 55.300 0.120 0.000 1.090 324 M CB -1.035 31.656 32.600 0.152 0.000 1.392 324 M HN 0.330 8.903 8.290 0.204 -0.161 0.422 325 A N -1.395 121.494 122.820 0.114 0.000 1.978 325 A HA -0.348 nan 4.320 nan 0.000 0.220 325 A C 2.316 179.964 177.584 0.107 0.000 1.170 325 A CA 2.951 55.047 52.037 0.099 0.000 0.636 325 A CB -1.271 17.787 19.000 0.096 0.000 0.810 325 A HN 0.273 8.462 8.150 0.132 0.041 0.448 326 S N -1.104 114.683 115.700 0.145 0.000 2.371 326 S HA -0.231 nan 4.470 nan 0.000 0.224 326 S C 1.959 176.680 174.600 0.200 0.000 1.029 326 S CA 2.825 61.150 58.200 0.209 0.000 0.978 326 S CB -0.144 63.243 63.200 0.313 0.000 0.833 326 S HN -0.509 7.764 8.310 0.153 0.129 0.466 327 L N 1.820 123.065 121.223 0.038 0.000 1.994 327 L HA -0.360 nan 4.340 nan 0.000 0.208 327 L C 1.411 178.289 176.870 0.012 0.000 1.071 327 L CA 3.237 57.932 54.840 -0.240 0.000 0.745 327 L CB -0.163 41.624 42.059 -0.454 0.000 0.892 327 L HN -0.852 7.336 8.230 0.055 0.075 0.431 328 E N -2.162 118.070 120.200 0.053 0.000 2.085 328 E HA -0.486 nan 4.350 nan 0.000 0.194 328 E C 2.364 178.974 176.600 0.016 0.000 0.994 328 E CA 3.176 59.606 56.400 0.050 0.000 0.801 328 E CB -0.476 29.258 29.700 0.057 0.000 0.743 328 E HN 0.340 8.727 8.360 0.045 0.000 0.453 329 S N -0.548 115.182 115.700 0.049 0.000 2.365 329 S HA -0.358 nan 4.470 nan 0.000 0.225 329 S C 1.983 176.597 174.600 0.023 0.000 1.039 329 S CA 3.191 61.419 58.200 0.046 0.000 1.033 329 S CB -0.114 63.130 63.200 0.074 0.000 0.887 329 S HN -0.259 8.084 8.310 0.069 0.009 0.447 330 C N 1.244 120.574 119.300 0.051 0.000 2.413 330 C HA -0.300 nan 4.460 nan 0.000 0.278 330 C C 2.242 177.197 174.990 -0.059 0.000 1.224 330 C CA 3.928 62.971 59.018 0.042 0.000 1.732 330 C CB -1.698 26.123 27.740 0.135 0.000 2.050 330 C HN -0.455 7.744 8.230 0.087 0.083 0.463 331 I N -0.397 120.083 120.570 -0.150 0.000 2.286 331 I HA -0.448 nan 4.170 nan 0.000 0.248 331 I C 1.291 177.185 176.117 -0.371 0.000 1.115 331 I CA 1.908 62.994 61.300 -0.357 0.000 1.392 331 I CB -0.288 37.218 38.000 -0.824 0.000 1.065 331 I HN -0.689 7.459 8.210 -0.102 0.000 0.418 332 R N -0.703 119.642 120.500 -0.259 0.000 2.070 332 R HA -0.479 nan 4.340 nan 0.000 0.233 332 R C 1.908 178.082 176.300 -0.211 0.000 1.137 332 R CA 4.399 60.358 56.100 -0.235 0.000 0.945 332 R CB -0.442 29.851 30.300 -0.012 0.000 0.845 332 R HN -0.016 8.148 8.270 -0.177 0.000 0.430 333 E N -1.082 119.056 120.200 -0.103 0.000 2.114 333 E HA -0.411 nan 4.350 nan 0.000 0.199 333 E C 2.258 178.797 176.600 -0.101 0.000 1.008 333 E CA 3.164 59.527 56.400 -0.063 0.000 0.810 333 E CB -0.294 29.389 29.700 -0.028 0.000 0.739 333 E HN -0.096 8.219 8.360 -0.074 0.000 0.456 334 D N -0.287 120.021 120.400 -0.153 0.000 2.077 334 D HA -0.197 nan 4.640 nan 0.000 0.196 334 D C 2.392 178.569 176.300 -0.205 0.000 0.986 334 D CA 3.234 57.139 54.000 -0.158 0.000 0.829 334 D CB 0.153 40.855 40.800 -0.165 0.000 0.983 334 D HN -0.623 7.556 8.370 -0.166 0.092 0.453 335 L N -1.162 119.827 121.223 -0.390 0.000 2.131 335 L HA -0.308 nan 4.340 nan 0.000 0.210 335 L C 2.313 179.020 176.870 -0.272 0.000 1.092 335 L CA 2.252 56.787 54.840 -0.508 0.000 0.759 335 L CB -0.913 40.478 42.059 -1.113 0.000 0.903 335 L HN 0.082 8.031 8.230 -0.467 0.000 0.435 336 N N -0.437 118.155 118.700 -0.181 0.000 2.104 336 N HA -0.363 nan 4.740 nan 0.000 0.190 336 N C 0.958 176.599 175.510 0.218 0.000 1.024 336 N CA 3.450 56.597 53.050 0.162 0.000 0.853 336 N CB -0.041 38.538 38.487 0.153 0.000 1.008 336 N HN 0.253 8.438 8.380 -0.293 0.019 0.424 337 E N -3.263 117.001 120.200 0.106 0.000 2.028 337 E HA -0.200 nan 4.350 nan 0.000 0.191 337 E C 2.270 178.949 176.600 0.131 0.000 0.988 337 E CA 2.757 59.216 56.400 0.099 0.000 0.799 337 E CB 0.162 29.862 29.700 0.001 0.000 0.755 337 E HN -0.458 7.908 8.360 0.015 0.003 0.447 338 N N -2.504 116.236 118.700 0.066 0.000 2.280 338 N HA -0.008 nan 4.740 nan 0.000 0.192 338 N C -0.563 174.994 175.510 0.078 0.000 1.109 338 N CA 0.596 53.676 53.050 0.049 0.000 0.855 338 N CB 1.177 39.649 38.487 -0.025 0.000 0.974 338 N HN -0.551 7.835 8.380 0.009 0.000 0.482 339 A N 2.501 125.391 122.820 0.117 0.000 2.320 339 A HA 0.380 nan 4.320 nan 0.000 0.287 339 A C -2.360 175.313 177.584 0.148 0.000 1.181 339 A CA -2.586 49.515 52.037 0.107 0.000 0.831 339 A CB -0.033 19.075 19.000 0.180 0.000 1.102 339 A HN -0.011 8.131 8.150 0.139 0.092 0.513 340 P HA 0.160 nan 4.420 nan 0.000 0.281 340 P C -0.776 176.666 177.300 0.236 0.000 1.252 340 P CA -0.793 62.416 63.100 0.181 0.000 0.778 340 P CB 0.651 32.474 31.700 0.206 0.000 0.895 341 R N 4.782 125.341 120.500 0.098 0.000 2.679 341 R HA 0.354 nan 4.340 nan 0.000 0.269 341 R C -0.798 175.565 176.300 0.104 0.000 1.076 341 R CA 0.688 56.832 56.100 0.074 0.000 1.160 341 R CB 0.479 30.749 30.300 -0.051 0.000 1.054 341 R HN 0.030 8.308 8.270 0.015 0.000 0.507 342 A N 0.205 123.048 122.820 0.039 0.000 2.515 342 A HA 0.491 nan 4.320 nan 0.000 0.299 342 A C -2.361 175.048 177.584 -0.292 0.000 1.179 342 A CA -1.106 50.857 52.037 -0.123 0.000 0.656 342 A CB 3.081 21.977 19.000 -0.174 0.000 1.306 342 A HN 0.419 8.599 8.150 0.050 0.000 0.459 343 M N -1.223 118.092 119.600 -0.475 0.000 2.259 343 M HA 0.452 nan 4.480 nan 0.000 0.304 343 M C -1.759 174.113 176.300 -0.713 0.000 1.019 343 M CA -1.345 53.634 55.300 -0.535 0.000 0.922 343 M CB 3.091 35.375 32.600 -0.526 0.000 1.600 343 M HN 0.492 8.616 8.290 -0.479 -0.122 0.433 344 A N 2.262 124.655 122.820 -0.711 0.000 2.574 344 A HA 0.686 nan 4.320 nan 0.000 0.297 344 A C -2.125 175.278 177.584 -0.303 0.000 1.062 344 A CA -0.756 50.844 52.037 -0.727 0.000 0.686 344 A CB 2.895 21.017 19.000 -1.463 0.000 1.285 344 A HN 0.170 7.983 8.150 -0.562 0.000 0.403 345 V N 0.566 120.362 119.914 -0.196 0.000 2.444 345 V HA 0.580 nan 4.120 nan 0.000 0.294 345 V C -0.080 175.928 176.094 -0.144 0.000 1.022 345 V CA -1.382 60.890 62.300 -0.047 0.000 0.850 345 V CB 1.835 33.650 31.823 -0.014 0.000 0.992 345 V HN 0.801 8.839 8.190 -0.255 0.000 0.426 346 I N 6.803 127.324 120.570 -0.081 0.000 2.235 346 I HA -0.114 nan 4.170 nan 0.000 0.241 346 I C -0.411 175.636 176.117 -0.118 0.000 1.085 346 I CA 3.012 64.251 61.300 -0.102 0.000 1.378 346 I CB 0.693 38.684 38.000 -0.014 0.000 1.076 346 I HN 0.460 8.679 8.210 0.014 0.000 0.415 347 D N -1.537 118.827 120.400 -0.061 0.000 2.441 347 D HA 0.441 nan 4.640 nan 0.000 0.231 347 D C -2.678 173.594 176.300 -0.047 0.000 1.073 347 D CA -3.203 50.760 54.000 -0.061 0.000 0.850 347 D CB 2.507 43.299 40.800 -0.012 0.000 1.062 347 D HN -0.530 8.092 8.370 -0.014 -0.260 0.524 348 P HA 0.650 nan 4.420 nan 0.000 0.301 348 P C -2.470 174.907 177.300 0.128 0.000 1.361 348 P CA -1.435 61.657 63.100 -0.014 0.000 0.994 348 P CB 2.980 34.578 31.700 -0.171 0.000 1.234 349 V N 0.345 120.412 119.914 0.255 0.000 2.540 349 V HA 0.390 nan 4.120 nan 0.000 0.302 349 V C -1.315 174.962 176.094 0.306 0.000 1.035 349 V CA -2.838 59.620 62.300 0.264 0.000 0.873 349 V CB 3.311 35.211 31.823 0.128 0.000 0.992 349 V HN 0.783 9.107 8.190 0.224 0.000 0.428 350 K N 8.865 129.387 120.400 0.203 0.000 2.382 350 K HA 0.135 nan 4.320 nan 0.000 0.275 350 K C -2.148 174.269 176.600 -0.304 0.000 1.009 350 K CA 0.713 56.852 56.287 -0.248 0.000 0.970 350 K CB 1.073 33.254 32.500 -0.530 0.000 0.934 350 K HN 0.175 8.581 8.250 0.261 0.000 0.479 351 L N 5.304 126.307 121.223 -0.367 0.000 2.441 351 L HA 0.740 nan 4.340 nan 0.000 0.270 351 L C -2.485 174.147 176.870 -0.397 0.000 0.973 351 L CA -1.266 53.355 54.840 -0.365 0.000 0.842 351 L CB 3.478 45.394 42.059 -0.238 0.000 1.239 351 L HN -0.230 7.743 8.230 -0.428 0.000 0.406 352 V N 2.720 122.381 119.914 -0.423 0.000 2.384 352 V HA 0.694 nan 4.120 nan 0.000 0.287 352 V C -1.124 174.868 176.094 -0.171 0.000 1.020 352 V CA -3.400 58.712 62.300 -0.314 0.000 0.850 352 V CB 1.040 32.703 31.823 -0.268 0.000 0.987 352 V HN 1.045 8.911 8.190 -0.540 0.000 0.436 353 I N 6.431 126.901 120.570 -0.167 0.000 2.301 353 I HA 0.100 nan 4.170 nan 0.000 0.292 353 I C 0.749 176.894 176.117 0.047 0.000 1.046 353 I CA 0.218 61.487 61.300 -0.051 0.000 1.282 353 I CB -0.445 37.477 38.000 -0.131 0.000 1.409 353 I HN 0.426 8.345 8.210 -0.264 0.132 0.484 354 E N 9.458 129.721 120.200 0.104 0.000 2.112 354 E HA -0.250 nan 4.350 nan 0.000 0.190 354 E C 0.880 177.554 176.600 0.123 0.000 0.979 354 E CA 2.525 58.989 56.400 0.106 0.000 0.814 354 E CB -0.019 29.739 29.700 0.097 0.000 0.762 354 E HN 0.050 8.478 8.360 0.114 0.000 0.460 355 N N -1.256 117.543 118.700 0.165 0.000 2.627 355 N HA -0.129 nan 4.740 nan 0.000 0.196 355 N C -1.494 174.202 175.510 0.310 0.000 1.268 355 N CA -0.120 53.031 53.050 0.169 0.000 0.904 355 N CB 0.081 38.644 38.487 0.127 0.000 1.016 355 N HN -0.150 8.333 8.380 0.173 0.000 0.448 356 Y N -0.727 119.656 120.300 0.138 0.000 2.308 356 Y HA -0.003 nan 4.550 nan 0.000 0.329 356 Y C -0.961 174.963 175.900 0.040 0.000 1.111 356 Y CA -0.157 58.004 58.100 0.102 0.000 1.179 356 Y CB 1.155 39.566 38.460 -0.081 0.000 1.201 356 Y HN -0.892 7.412 8.280 0.274 0.141 0.483 357 Q N 7.576 126.974 119.800 -0.670 0.000 2.331 357 Q HA 0.367 nan 4.340 nan 0.000 0.267 357 Q C -0.248 175.357 176.000 -0.657 0.000 1.006 357 Q CA -0.923 54.596 55.803 -0.473 0.000 0.818 357 Q CB 1.517 30.095 28.738 -0.266 0.000 1.276 357 Q HN 0.461 8.169 8.270 -0.937 0.000 0.450 358 G N 3.178 111.782 108.800 -0.327 0.000 2.650 358 G HA2 -0.239 nan 3.960 nan 0.000 0.686 358 G HA3 -0.239 nan 3.960 nan 0.000 0.686 358 G C -1.301 173.593 174.900 -0.010 0.000 1.205 358 G CA -0.751 44.243 45.100 -0.176 0.000 0.781 358 G HN -0.079 8.085 8.290 -0.210 0.000 0.648 359 E N 0.227 120.455 120.200 0.046 0.000 2.405 359 E HA -0.087 nan 4.350 nan 0.000 0.194 359 E C -0.664 176.035 176.600 0.165 0.000 1.149 359 E CA 0.139 56.591 56.400 0.087 0.000 0.933 359 E CB -0.388 29.341 29.700 0.049 0.000 1.028 359 E HN 0.159 8.530 8.360 0.019 0.000 0.487 360 G N -3.962 105.010 108.800 0.286 0.000 2.408 360 G HA2 -0.230 nan 3.960 nan 0.000 0.682 360 G HA3 -0.230 nan 3.960 nan 0.000 0.682 360 G C -1.909 173.166 174.900 0.291 0.000 1.303 360 G CA -0.640 44.650 45.100 0.317 0.000 0.966 360 G HN -0.596 7.720 8.290 0.285 0.145 0.560 361 E N -1.913 118.459 120.200 0.287 0.000 2.350 361 E HA 0.279 nan 4.350 nan 0.000 0.243 361 E C -1.930 174.781 176.600 0.186 0.000 0.959 361 E CA -0.868 55.682 56.400 0.250 0.000 0.883 361 E CB 2.590 32.500 29.700 0.349 0.000 1.820 361 E HN 0.547 9.060 8.360 0.255 0.000 0.441 362 M N 0.620 120.319 119.600 0.165 0.000 2.327 362 M HA 0.360 nan 4.480 nan 0.000 0.298 362 M C -1.297 175.072 176.300 0.115 0.000 1.065 362 M CA -0.765 54.604 55.300 0.115 0.000 0.916 362 M CB 2.856 35.492 32.600 0.061 0.000 1.630 362 M HN -0.053 8.339 8.290 0.170 0.000 0.442 363 V N 6.863 126.854 119.914 0.129 0.000 2.384 363 V HA 0.297 nan 4.120 nan 0.000 0.287 363 V C -1.195 174.936 176.094 0.062 0.000 1.020 363 V CA -1.237 61.111 62.300 0.081 0.000 0.850 363 V CB 1.916 33.816 31.823 0.127 0.000 0.987 363 V HN 1.107 9.278 8.190 0.160 0.115 0.436 364 T N 10.138 124.708 114.554 0.027 0.000 2.727 364 T HA 0.282 nan 4.350 nan 0.000 0.295 364 T C -0.955 173.756 174.700 0.019 0.000 0.915 364 T CA 1.094 63.208 62.100 0.022 0.000 1.066 364 T CB -0.330 68.547 68.868 0.015 0.000 0.891 364 T HN 0.421 8.667 8.240 0.011 0.000 0.516 365 M N 7.664 127.276 119.600 0.020 0.000 2.472 365 M HA 0.536 nan 4.480 nan 0.000 0.331 365 M C -2.500 173.811 176.300 0.018 0.000 1.170 365 M CA -2.623 52.685 55.300 0.013 0.000 1.009 365 M CB 3.452 36.047 32.600 -0.008 0.000 1.672 365 M HN 0.611 8.913 8.290 0.019 0.000 0.453 366 P HA 0.304 nan 4.420 nan 0.000 0.281 366 P C -0.208 177.124 177.300 0.053 0.000 1.249 366 P CA -0.861 62.265 63.100 0.044 0.000 0.810 366 P CB 1.002 32.732 31.700 0.050 0.000 1.008 367 N N 0.959 119.709 118.700 0.083 0.000 2.467 367 N HA -0.104 nan 4.740 nan 0.000 0.184 367 N C -1.019 174.578 175.510 0.144 0.000 1.106 367 N CA 1.357 54.472 53.050 0.108 0.000 0.892 367 N CB 1.180 39.742 38.487 0.124 0.000 0.969 367 N HN 0.431 8.862 8.380 0.084 0.000 0.454 368 H N -1.794 117.306 119.070 0.049 0.000 3.298 368 H HA 0.254 nan 4.556 nan 0.000 0.328 368 H C -2.397 172.952 175.328 0.036 0.000 1.278 368 H CA -1.708 54.369 56.048 0.049 0.000 1.609 368 H CB 2.333 32.123 29.762 0.048 0.000 2.082 368 H HN -0.495 7.819 8.280 0.156 0.059 0.465 369 P HA -0.183 nan 4.420 nan 0.000 0.222 369 P C -0.686 176.715 177.300 0.169 0.000 1.142 369 P CA 2.029 65.201 63.100 0.120 0.000 0.788 369 P CB 0.174 31.903 31.700 0.048 0.000 0.767 370 N N -5.000 113.893 118.700 0.322 0.000 2.170 370 N HA 0.124 nan 4.740 nan 0.000 0.222 370 N C -1.239 174.299 175.510 0.046 0.000 1.218 370 N CA 0.479 53.632 53.050 0.172 0.000 0.889 370 N CB 1.460 40.050 38.487 0.172 0.000 1.083 370 N HN -0.014 8.728 8.380 0.702 0.059 0.520 371 K N -0.155 120.258 120.400 0.021 0.000 2.814 371 K HA 0.487 nan 4.320 nan 0.000 0.205 371 K C -1.724 174.868 176.600 -0.014 0.000 1.093 371 K CA -2.421 53.798 56.287 -0.114 0.000 1.035 371 K CB 1.217 33.470 32.500 -0.412 0.000 1.220 371 K HN -0.152 8.036 8.250 0.182 0.171 0.576 372 P HA -0.253 nan 4.420 nan 0.000 0.218 372 P C 0.966 178.276 177.300 0.017 0.000 1.146 372 P CA 2.109 65.223 63.100 0.024 0.000 0.813 372 P CB -0.062 31.647 31.700 0.016 0.000 0.778 373 E N -1.698 118.499 120.200 -0.004 0.000 2.409 373 E HA -0.162 nan 4.350 nan 0.000 0.198 373 E C 1.199 177.803 176.600 0.006 0.000 1.024 373 E CA 1.861 58.258 56.400 -0.005 0.000 0.861 373 E CB -1.342 28.344 29.700 -0.022 0.000 0.788 373 E HN 0.573 8.872 8.360 -0.021 0.048 0.521 374 M N -1.858 117.755 119.600 0.021 0.000 2.618 374 M HA -0.109 nan 4.480 nan 0.000 0.240 374 M C 0.410 176.746 176.300 0.060 0.000 1.123 374 M CA 0.461 55.789 55.300 0.047 0.000 1.060 374 M CB 0.301 32.954 32.600 0.089 0.000 1.535 374 M HN -0.343 7.899 8.290 0.023 0.062 0.507 375 G N -0.198 108.632 108.800 0.051 0.000 2.728 375 G HA2 -0.297 nan 3.960 nan 0.000 0.294 375 G HA3 -0.297 nan 3.960 nan 0.000 0.294 375 G C -2.199 172.734 174.900 0.056 0.000 1.342 375 G CA -0.638 44.491 45.100 0.049 0.000 0.866 375 G HN -0.669 7.584 8.290 0.043 0.062 0.534 376 S N -1.299 114.429 115.700 0.047 0.000 2.720 376 S HA 1.034 nan 4.470 nan 0.000 0.287 376 S C -1.669 172.954 174.600 0.038 0.000 1.168 376 S CA -1.205 57.020 58.200 0.043 0.000 0.832 376 S CB 3.142 66.362 63.200 0.034 0.000 1.166 376 S HN 0.081 8.416 8.310 0.042 0.000 0.493 377 R N -3.853 116.665 120.500 0.030 0.000 2.781 377 R HA 0.324 nan 4.340 nan 0.000 0.269 377 R C -2.020 174.290 176.300 0.016 0.000 1.025 377 R CA -1.417 54.697 56.100 0.023 0.000 0.914 377 R CB 2.708 33.020 30.300 0.021 0.000 1.236 377 R HN 0.900 9.080 8.270 0.026 0.107 0.465 378 Q N 1.037 120.844 119.800 0.012 0.000 2.430 378 Q HA 0.348 nan 4.340 nan 0.000 0.245 378 Q C -0.679 175.321 176.000 -0.001 0.000 1.021 378 Q CA -0.619 55.192 55.803 0.012 0.000 0.867 378 Q CB 0.263 29.007 28.738 0.011 0.000 1.210 378 Q HN 0.150 8.427 8.270 0.012 0.000 0.487 379 V N 7.222 127.145 119.914 0.016 0.000 2.385 379 V HA 0.343 nan 4.120 nan 0.000 0.269 379 V C -1.650 174.492 176.094 0.080 0.000 1.043 379 V CA -2.887 59.419 62.300 0.009 0.000 0.906 379 V CB 0.518 32.332 31.823 -0.016 0.000 0.995 379 V HN 0.825 8.946 8.190 0.034 0.089 0.467 380 P HA 0.141 nan 4.420 nan 0.000 0.271 380 P C -1.803 175.627 177.300 0.217 0.000 1.226 380 P CA -0.443 62.618 63.100 -0.065 0.000 0.765 380 P CB -0.122 31.186 31.700 -0.653 0.000 0.835 381 F N 6.629 126.642 119.950 0.104 0.000 2.403 381 F HA 0.207 nan 4.527 nan 0.000 0.326 381 F C -1.466 174.291 175.800 -0.071 0.000 1.081 381 F CA -1.273 56.747 58.000 0.033 0.000 1.041 381 F CB 2.938 41.900 39.000 -0.064 0.000 1.234 381 F HN -0.222 8.150 8.300 0.298 0.107 0.503 382 S N 2.570 117.279 115.700 -1.651 0.000 2.727 382 S HA 0.239 nan 4.470 nan 0.000 0.278 382 S C -1.374 172.035 174.600 -1.986 0.000 1.186 382 S CA -1.815 55.590 58.200 -1.325 0.000 0.836 382 S CB 1.923 64.788 63.200 -0.558 0.000 1.186 382 S HN 0.032 6.611 8.310 -2.884 0.000 0.499 383 G N -1.021 106.944 108.800 -1.391 0.000 2.486 383 G HA2 0.121 nan 3.960 nan 0.000 0.210 383 G HA3 0.121 nan 3.960 nan 0.000 0.210 383 G C -0.947 173.583 174.900 -0.617 0.000 1.168 383 G CA 0.258 44.761 45.100 -0.995 0.000 0.820 383 G HN 0.447 8.190 8.290 -0.912 0.000 0.544 384 E N 2.874 122.772 120.200 -0.503 0.000 2.052 384 E HA 0.437 nan 4.350 nan 0.000 0.283 384 E C -0.962 175.320 176.600 -0.529 0.000 1.071 384 E CA -0.792 55.329 56.400 -0.464 0.000 0.851 384 E CB 0.027 29.487 29.700 -0.400 0.000 1.066 384 E HN -0.517 7.565 8.360 -0.464 0.000 0.396 385 I N 0.246 120.515 120.570 -0.502 0.000 3.522 385 I HA 0.834 nan 4.170 nan 0.000 0.292 385 I C -1.865 174.000 176.117 -0.420 0.000 1.147 385 I CA -2.481 58.590 61.300 -0.381 0.000 1.032 385 I CB 3.675 41.564 38.000 -0.185 0.000 1.337 385 I HN 0.841 8.771 8.210 -0.466 0.000 0.496 386 W N -2.294 118.971 121.300 -0.059 0.000 2.739 386 W HA 0.589 nan 4.660 nan 0.000 0.331 386 W C -1.105 175.415 176.519 0.000 0.000 1.049 386 W CA -1.487 55.828 57.345 -0.049 0.000 1.234 386 W CB 3.080 32.515 29.460 -0.042 0.000 1.404 386 W HN -0.322 7.890 8.180 0.200 0.088 0.477 387 I N -3.208 117.543 120.570 0.301 0.000 3.042 387 I HA 0.686 nan 4.170 nan 0.000 0.310 387 I C -2.512 173.646 176.117 0.068 0.000 1.117 387 I CA -2.952 58.416 61.300 0.114 0.000 1.003 387 I CB 4.017 42.057 38.000 0.067 0.000 1.228 387 I HN 0.436 8.870 8.210 0.373 0.000 0.443 388 D N 0.224 120.588 120.400 -0.061 0.000 2.317 388 D HA 0.085 nan 4.640 nan 0.000 0.252 388 D C 0.986 177.324 176.300 0.063 0.000 1.174 388 D CA -0.098 53.894 54.000 -0.014 0.000 0.866 388 D CB 1.115 41.887 40.800 -0.047 0.000 1.127 388 D HN 0.409 8.660 8.370 -0.198 0.000 0.467 389 R N 9.103 129.653 120.500 0.083 0.000 2.134 389 R HA -0.448 nan 4.340 nan 0.000 0.248 389 R C 1.509 177.890 176.300 0.135 0.000 1.143 389 R CA 4.078 60.247 56.100 0.115 0.000 0.957 389 R CB 0.040 30.391 30.300 0.086 0.000 0.867 389 R HN 0.547 8.855 8.270 0.064 0.000 0.441 390 A N -4.548 118.339 122.820 0.112 0.000 2.258 390 A HA -0.086 nan 4.320 nan 0.000 0.206 390 A C 0.021 177.709 177.584 0.172 0.000 1.222 390 A CA 1.278 53.392 52.037 0.128 0.000 0.822 390 A CB -0.999 18.065 19.000 0.106 0.000 0.804 390 A HN 0.042 8.242 8.150 0.091 0.005 0.483 391 D N -3.474 117.032 120.400 0.177 0.000 2.423 391 D HA 0.185 nan 4.640 nan 0.000 0.208 391 D C -1.387 175.093 176.300 0.301 0.000 1.068 391 D CA 1.230 55.339 54.000 0.182 0.000 0.860 391 D CB 2.019 42.872 40.800 0.089 0.000 0.992 391 D HN 0.022 8.280 8.370 0.166 0.212 0.504 392 F N 0.387 120.438 119.950 0.169 0.000 2.450 392 F HA 0.503 nan 4.527 nan 0.000 0.332 392 F C -1.735 174.143 175.800 0.130 0.000 1.093 392 F CA -0.996 57.099 58.000 0.160 0.000 1.003 392 F CB 2.259 41.309 39.000 0.084 0.000 1.151 392 F HN -0.749 7.744 8.300 0.322 0.000 0.474 393 R N 5.942 125.697 120.500 -1.241 0.000 2.522 393 R HA 0.359 nan 4.340 nan 0.000 0.283 393 R C -0.290 175.354 176.300 -1.093 0.000 1.074 393 R CA -0.511 55.005 56.100 -0.973 0.000 0.925 393 R CB 2.998 32.793 30.300 -0.841 0.000 1.205 393 R HN 0.802 8.163 8.270 -1.514 0.000 0.436 394 E N 5.373 125.176 120.200 -0.662 0.000 2.077 394 E HA -0.280 nan 4.350 nan 0.000 0.193 394 E C -0.485 175.993 176.600 -0.202 0.000 0.989 394 E CA 2.637 58.873 56.400 -0.274 0.000 0.800 394 E CB 0.421 30.089 29.700 -0.053 0.000 0.746 394 E HN 0.633 8.700 8.360 -0.488 0.000 0.452 395 E N -2.455 117.602 120.200 -0.238 0.000 2.308 395 E HA 0.247 nan 4.350 nan 0.000 0.275 395 E C -1.927 174.518 176.600 -0.258 0.000 0.890 395 E CA -1.182 55.109 56.400 -0.181 0.000 0.754 395 E CB 1.155 30.790 29.700 -0.108 0.000 1.207 395 E HN -0.439 7.751 8.360 -0.283 0.000 0.426 396 A N 2.356 125.045 122.820 -0.218 0.000 2.599 396 A HA 0.089 nan 4.320 nan 0.000 0.294 396 A C -1.441 176.090 177.584 -0.090 0.000 1.055 396 A CA -0.425 51.460 52.037 -0.252 0.000 0.683 396 A CB 1.354 19.985 19.000 -0.615 0.000 1.278 396 A HN -0.094 7.970 8.150 -0.143 0.000 0.412 397 N N 1.623 120.299 118.700 -0.040 0.000 2.285 397 N HA -0.003 nan 4.740 nan 0.000 0.262 397 N C 0.175 175.725 175.510 0.067 0.000 1.299 397 N CA -0.253 52.805 53.050 0.015 0.000 0.930 397 N CB 0.664 39.160 38.487 0.014 0.000 1.157 397 N HN -0.020 8.323 8.380 -0.062 0.000 0.532 398 K N -1.303 119.130 120.400 0.055 0.000 2.044 398 K HA -0.249 nan 4.320 nan 0.000 0.210 398 K C 1.169 177.816 176.600 0.079 0.000 1.049 398 K CA 2.404 58.727 56.287 0.061 0.000 0.927 398 K CB -0.032 32.492 32.500 0.041 0.000 0.713 398 K HN 0.187 8.459 8.250 0.038 0.000 0.443 399 Q N -3.540 116.306 119.800 0.077 0.000 2.047 399 Q HA -0.313 nan 4.340 nan 0.000 0.211 399 Q C 0.718 176.782 176.000 0.106 0.000 1.005 399 Q CA 1.580 57.430 55.803 0.079 0.000 0.866 399 Q CB 0.015 28.799 28.738 0.077 0.000 0.938 399 Q HN -0.207 8.164 8.270 0.065 -0.062 0.414 400 Y N 0.942 121.242 120.300 0.001 0.000 2.849 400 Y HA -0.211 nan 4.550 nan 0.000 0.362 400 Y C -0.027 175.877 175.900 0.007 0.000 1.320 400 Y CA 0.589 58.689 58.100 -0.001 0.000 1.678 400 Y CB 0.245 38.694 38.460 -0.018 0.000 1.220 400 Y HN -0.828 7.800 8.280 0.243 -0.202 0.518 401 K N 4.118 124.367 120.400 -0.252 0.000 2.570 401 K HA 0.131 nan 4.320 nan 0.000 0.210 401 K C -1.612 174.832 176.600 -0.259 0.000 1.048 401 K CA -0.275 55.909 56.287 -0.171 0.000 1.167 401 K CB 0.720 33.170 32.500 -0.084 0.000 0.892 401 K HN 0.124 8.189 8.250 -0.307 0.000 0.480 402 R N -2.159 118.006 120.500 -0.559 0.000 2.942 402 R HA 0.424 nan 4.340 nan 0.000 0.212 402 R C -1.128 175.151 176.300 -0.035 0.000 1.562 402 R CA -1.113 54.772 56.100 -0.358 0.000 0.941 402 R CB 1.764 31.759 30.300 -0.509 0.000 2.365 402 R HN -0.784 6.780 8.270 -1.051 0.075 0.524 403 L N 1.766 123.070 121.223 0.135 0.000 2.268 403 L HA 0.164 nan 4.340 nan 0.000 0.289 403 L C -2.034 175.023 176.870 0.312 0.000 1.064 403 L CA -0.303 54.708 54.840 0.284 0.000 0.824 403 L CB 0.224 42.502 42.059 0.365 0.000 1.202 403 L HN -0.289 8.005 8.230 0.107 0.000 0.433 404 V N 5.705 125.756 119.914 0.228 0.000 2.834 404 V HA 0.371 nan 4.120 nan 0.000 0.313 404 V C -0.288 175.920 176.094 0.189 0.000 1.060 404 V CA -1.666 60.658 62.300 0.040 0.000 0.989 404 V CB 1.214 33.074 31.823 0.060 0.000 1.041 404 V HN -0.237 8.087 8.190 0.223 0.000 0.459 405 L N 2.375 123.678 121.223 0.134 0.000 2.642 405 L HA -0.181 nan 4.340 nan 0.000 0.236 405 L C 0.136 177.119 176.870 0.189 0.000 1.169 405 L CA 1.867 56.904 54.840 0.328 0.000 0.851 405 L CB -0.100 42.128 42.059 0.283 0.000 0.968 405 L HN 0.241 8.398 8.230 -0.122 0.000 0.453 406 G N -1.974 106.905 108.800 0.131 0.000 2.728 406 G HA2 -0.139 nan 3.960 nan 0.000 0.223 406 G HA3 -0.139 nan 3.960 nan 0.000 0.223 406 G C -0.562 174.397 174.900 0.098 0.000 1.379 406 G CA 0.250 45.407 45.100 0.096 0.000 0.870 406 G HN -0.271 7.978 8.290 0.116 0.111 0.591 407 K N 1.023 121.481 120.400 0.096 0.000 2.525 407 K HA 0.108 nan 4.320 nan 0.000 0.262 407 K C -0.839 175.822 176.600 0.102 0.000 1.049 407 K CA 0.348 56.688 56.287 0.088 0.000 0.961 407 K CB 0.891 33.436 32.500 0.075 0.000 1.258 407 K HN -0.248 8.060 8.250 0.095 0.000 0.501 408 E N -3.519 116.732 120.200 0.085 0.000 2.212 408 E HA 0.528 nan 4.350 nan 0.000 0.270 408 E C -1.188 175.461 176.600 0.081 0.000 0.956 408 E CA -1.218 55.234 56.400 0.086 0.000 0.825 408 E CB 2.088 31.831 29.700 0.072 0.000 1.167 408 E HN -0.066 8.338 8.360 0.072 0.000 0.400 409 V N -4.268 115.696 119.914 0.083 0.000 2.925 409 V HA 0.514 nan 4.120 nan 0.000 0.311 409 V C -1.943 174.189 176.094 0.064 0.000 1.104 409 V CA -2.546 59.797 62.300 0.071 0.000 0.954 409 V CB 3.209 35.080 31.823 0.081 0.000 1.022 409 V HN 0.143 8.387 8.190 0.089 0.000 0.427 410 R N 2.039 122.572 120.500 0.055 0.000 2.340 410 R HA 0.412 nan 4.340 nan 0.000 0.300 410 R C -0.992 175.349 176.300 0.068 0.000 1.069 410 R CA -2.169 53.960 56.100 0.048 0.000 0.984 410 R CB 0.620 30.944 30.300 0.040 0.000 1.003 410 R HN 0.793 8.994 8.270 0.051 0.100 0.459 411 L N 4.425 125.666 121.223 0.031 0.000 2.395 411 L HA 0.315 nan 4.340 nan 0.000 0.269 411 L C -0.053 176.973 176.870 0.259 0.000 1.133 411 L CA -0.594 54.294 54.840 0.079 0.000 0.812 411 L CB 0.802 42.654 42.059 -0.345 0.000 1.125 411 L HN -0.066 8.152 8.230 -0.020 0.000 0.452 412 R N 4.314 125.147 120.500 0.555 0.000 2.486 412 R HA -0.306 nan 4.340 nan 0.000 0.303 412 R C -0.039 176.497 176.300 0.393 0.000 0.958 412 R CA 1.400 57.726 56.100 0.377 0.000 1.077 412 R CB -0.790 29.632 30.300 0.204 0.000 0.921 412 R HN 0.050 8.765 8.270 0.743 0.000 0.406 413 N N 0.723 119.516 118.700 0.155 0.000 2.678 413 N HA -0.433 nan 4.740 nan 0.000 0.249 413 N C -1.698 173.795 175.510 -0.028 0.000 1.119 413 N CA 1.545 54.634 53.050 0.065 0.000 0.718 413 N CB -0.978 37.552 38.487 0.072 0.000 1.060 413 N HN 0.512 8.956 8.380 0.108 0.000 0.552 414 A N -3.451 119.291 122.820 -0.130 0.000 3.671 414 A HA 0.299 nan 4.320 nan 0.000 0.178 414 A C -2.135 175.039 177.584 -0.684 0.000 0.921 414 A CA -0.630 51.060 52.037 -0.578 0.000 1.117 414 A CB 2.060 20.581 19.000 -0.798 0.000 1.632 414 A HN -0.233 7.766 8.150 -0.026 0.136 0.722 415 Y N -3.297 116.696 120.300 -0.511 0.000 2.376 415 Y HA 0.228 nan 4.550 nan 0.000 0.325 415 Y C -0.340 175.492 175.900 -0.114 0.000 1.199 415 Y CA -1.122 56.823 58.100 -0.259 0.000 1.206 415 Y CB 1.616 39.918 38.460 -0.264 0.000 1.229 415 Y HN -0.255 7.580 8.280 -0.742 0.000 0.480 416 V N 4.155 124.169 119.914 0.166 0.000 2.326 416 V HA 0.007 nan 4.120 nan 0.000 0.249 416 V C 0.238 176.419 176.094 0.145 0.000 1.114 416 V CA 0.232 62.599 62.300 0.112 0.000 1.028 416 V CB -2.333 29.544 31.823 0.091 0.000 1.170 416 V HN -0.141 8.182 8.190 0.223 0.000 0.494 417 I N 4.058 124.698 120.570 0.116 0.000 3.322 417 I HA 0.558 nan 4.170 nan 0.000 0.296 417 I C -1.631 174.548 176.117 0.104 0.000 1.101 417 I CA -0.920 60.455 61.300 0.124 0.000 1.166 417 I CB 1.327 39.367 38.000 0.068 0.000 1.475 417 I HN -0.126 8.131 8.210 0.078 0.000 0.665 418 K N -0.849 119.611 120.400 0.099 0.000 2.615 418 K HA 0.320 nan 4.320 nan 0.000 0.249 418 K C -1.536 175.120 176.600 0.093 0.000 0.977 418 K CA -0.943 55.400 56.287 0.094 0.000 0.833 418 K CB 3.415 35.962 32.500 0.079 0.000 1.208 418 K HN 0.238 8.549 8.250 0.101 0.000 0.443 419 A N 7.229 130.122 122.820 0.120 0.000 2.520 419 A HA -0.027 nan 4.320 nan 0.000 0.235 419 A C -1.035 176.618 177.584 0.114 0.000 1.065 419 A CA 1.455 53.567 52.037 0.125 0.000 0.764 419 A CB 0.197 19.365 19.000 0.280 0.000 1.002 419 A HN 0.292 8.527 8.150 0.143 0.000 0.502 420 E N 2.659 122.916 120.200 0.096 0.000 3.844 420 E HA 0.178 nan 4.350 nan 0.000 0.201 420 E C -0.704 175.953 176.600 0.096 0.000 1.278 420 E CA 0.640 57.094 56.400 0.091 0.000 1.565 420 E CB 2.705 32.451 29.700 0.076 0.000 1.543 420 E HN 0.023 8.424 8.360 0.069 0.000 0.584 421 R N -0.201 120.372 120.500 0.121 0.000 2.888 421 R HA 0.318 nan 4.340 nan 0.000 0.266 421 R C -2.727 173.711 176.300 0.229 0.000 1.020 421 R CA -1.532 54.647 56.100 0.131 0.000 0.963 421 R CB 3.676 33.986 30.300 0.016 0.000 1.197 421 R HN -0.418 7.946 8.270 0.157 0.000 0.481 422 V N 1.313 121.353 119.914 0.209 0.000 2.686 422 V HA 0.492 nan 4.120 nan 0.000 0.306 422 V C -2.146 174.081 176.094 0.221 0.000 1.065 422 V CA -2.517 59.886 62.300 0.170 0.000 0.894 422 V CB 3.267 35.151 31.823 0.102 0.000 1.004 422 V HN 0.162 8.445 8.190 0.155 0.000 0.424 423 E N 8.526 128.876 120.200 0.250 0.000 2.073 423 E HA 0.329 nan 4.350 nan 0.000 0.269 423 E C -1.190 175.475 176.600 0.108 0.000 0.917 423 E CA -1.532 55.004 56.400 0.227 0.000 0.757 423 E CB 1.915 31.845 29.700 0.383 0.000 1.111 423 E HN 0.429 8.880 8.360 0.152 0.000 0.410 424 K N 5.429 125.882 120.400 0.089 0.000 2.118 424 K HA 0.236 nan 4.320 nan 0.000 0.264 424 K C -0.582 176.050 176.600 0.054 0.000 1.000 424 K CA -0.656 55.671 56.287 0.067 0.000 0.929 424 K CB 1.280 33.819 32.500 0.064 0.000 1.021 424 K HN 0.258 8.562 8.250 0.090 0.000 0.463 425 D N 2.993 123.421 120.400 0.046 0.000 2.348 425 D HA 0.071 nan 4.640 nan 0.000 0.249 425 D C 0.964 177.284 176.300 0.033 0.000 1.110 425 D CA -0.450 53.573 54.000 0.038 0.000 0.967 425 D CB 2.228 43.050 40.800 0.037 0.000 1.139 425 D HN 0.464 8.743 8.370 0.048 0.120 0.466 426 A N 0.933 123.769 122.820 0.028 0.000 1.915 426 A HA -0.274 nan 4.320 nan 0.000 0.220 426 A C 1.948 179.545 177.584 0.022 0.000 1.198 426 A CA 2.867 54.918 52.037 0.023 0.000 0.647 426 A CB -0.223 18.788 19.000 0.019 0.000 0.825 426 A HN 0.463 8.629 8.150 0.027 0.000 0.456 427 E N -2.150 118.064 120.200 0.023 0.000 2.379 427 E HA -0.040 nan 4.350 nan 0.000 0.209 427 E C -0.154 176.461 176.600 0.025 0.000 1.284 427 E CA -1.672 54.741 56.400 0.021 0.000 1.333 427 E CB -1.715 27.996 29.700 0.019 0.000 1.307 427 E HN -0.620 8.101 8.360 0.024 -0.347 0.441 428 G N -1.211 107.607 108.800 0.028 0.000 2.180 428 G HA2 -0.394 nan 3.960 nan 0.000 0.263 428 G HA3 -0.394 nan 3.960 nan 0.000 0.263 428 G C -0.198 174.727 174.900 0.042 0.000 0.989 428 G CA 0.804 45.924 45.100 0.033 0.000 0.692 428 G HN -0.211 7.980 8.290 0.028 0.115 0.526 429 N N -0.162 118.564 118.700 0.043 0.000 2.479 429 N HA 0.140 nan 4.740 nan 0.000 0.285 429 N C -0.787 174.759 175.510 0.060 0.000 1.075 429 N CA -1.056 52.024 53.050 0.050 0.000 0.967 429 N CB 1.709 40.222 38.487 0.043 0.000 1.137 429 N HN -0.623 7.926 8.380 0.038 -0.146 0.472 430 I N 3.342 123.958 120.570 0.077 0.000 2.505 430 I HA -0.134 nan 4.170 nan 0.000 0.287 430 I C -0.101 176.045 176.117 0.048 0.000 1.104 430 I CA 1.245 62.590 61.300 0.075 0.000 1.387 430 I CB -0.534 37.536 38.000 0.117 0.000 1.404 430 I HN 0.514 8.775 8.210 0.086 0.000 0.528 431 T N 4.791 119.362 114.554 0.027 0.000 3.010 431 T HA 0.058 nan 4.350 nan 0.000 0.252 431 T C -0.347 174.327 174.700 -0.043 0.000 1.047 431 T CA 1.127 63.237 62.100 0.017 0.000 1.140 431 T CB 0.860 69.742 68.868 0.022 0.000 0.885 431 T HN 0.297 8.557 8.240 0.032 0.000 0.464 432 T N 1.279 115.758 114.554 -0.124 0.000 2.868 432 T HA 0.596 nan 4.350 nan 0.000 0.306 432 T C -2.412 172.006 174.700 -0.471 0.000 1.224 432 T CA -0.669 61.239 62.100 -0.320 0.000 1.012 432 T CB 2.496 71.098 68.868 -0.445 0.000 1.221 432 T HN -0.556 7.638 8.240 -0.077 0.000 0.499 433 I N 2.875 123.068 120.570 -0.628 0.000 2.646 433 I HA 0.892 nan 4.170 nan 0.000 0.299 433 I C -1.662 173.979 176.117 -0.793 0.000 1.036 433 I CA -1.606 59.320 61.300 -0.623 0.000 1.074 433 I CB 4.164 41.817 38.000 -0.579 0.000 1.258 433 I HN 0.536 8.398 8.210 -0.581 0.000 0.430 434 F N 3.326 123.165 119.950 -0.186 0.000 2.507 434 F HA 0.673 nan 4.527 nan 0.000 0.325 434 F C -1.476 174.265 175.800 -0.099 0.000 1.116 434 F CA -1.394 56.532 58.000 -0.123 0.000 0.930 434 F CB 2.650 41.598 39.000 -0.087 0.000 1.146 434 F HN 0.094 8.341 8.300 -0.088 0.000 0.447 435 C N 1.202 120.551 119.300 0.082 0.000 3.291 435 C HA 0.828 nan 4.460 nan 0.000 0.316 435 C C -1.566 173.481 174.990 0.095 0.000 1.391 435 C CA -1.233 57.824 59.018 0.064 0.000 1.394 435 C CB 4.661 32.410 27.740 0.016 0.000 1.744 435 C HN 0.223 8.497 8.230 0.072 0.000 0.461 436 T N -3.068 111.549 114.554 0.104 0.000 2.940 436 T HA 0.749 nan 4.350 nan 0.000 0.288 436 T C -2.946 171.872 174.700 0.195 0.000 1.045 436 T CA -2.404 59.776 62.100 0.133 0.000 1.018 436 T CB 2.443 71.349 68.868 0.064 0.000 1.151 436 T HN 0.741 8.934 8.240 0.091 0.102 0.529 437 Y N -2.951 117.345 120.300 -0.007 0.000 2.638 437 Y HA 0.525 nan 4.550 nan 0.000 0.335 437 Y C -2.473 173.400 175.900 -0.044 0.000 1.155 437 Y CA -2.065 56.023 58.100 -0.020 0.000 1.046 437 Y CB 3.321 41.754 38.460 -0.045 0.000 1.303 437 Y HN -0.019 8.342 8.280 0.134 0.000 0.460 438 D N 0.024 120.246 120.400 -0.295 0.000 2.471 438 D HA 0.163 nan 4.640 nan 0.000 0.245 438 D C -0.311 175.829 176.300 -0.265 0.000 1.116 438 D CA -1.208 52.544 54.000 -0.414 0.000 0.853 438 D CB 1.663 42.365 40.800 -0.163 0.000 1.123 438 D HN 0.124 8.513 8.370 0.032 0.000 0.540 439 A N 2.916 125.456 122.820 -0.466 0.000 2.285 439 A HA -0.356 nan 4.320 nan 0.000 0.214 439 A C 0.329 178.011 177.584 0.163 0.000 1.188 439 A CA 2.308 54.324 52.037 -0.035 0.000 0.707 439 A CB -0.419 18.546 19.000 -0.059 0.000 0.771 439 A HN 0.709 8.382 8.150 -0.794 0.000 0.488 440 D N -4.474 115.969 120.400 0.071 0.000 2.333 440 D HA -0.018 nan 4.640 nan 0.000 0.208 440 D C 0.075 176.436 176.300 0.102 0.000 0.984 440 D CA 0.757 54.800 54.000 0.073 0.000 0.873 440 D CB 0.785 41.596 40.800 0.019 0.000 0.935 440 D HN -0.207 8.042 8.370 -0.008 0.116 0.521 441 T N 0.178 114.829 114.554 0.161 0.000 2.727 441 T HA 0.273 nan 4.350 nan 0.000 0.298 441 T C -0.644 174.102 174.700 0.077 0.000 0.942 441 T CA -0.628 61.547 62.100 0.126 0.000 0.997 441 T CB -0.875 68.074 68.868 0.136 0.000 0.917 441 T HN -0.149 8.062 8.240 0.200 0.148 0.487 455 V N 1.105 121.035 119.914 0.026 0.000 2.555 455 V HA 0.775 nan 4.120 nan 0.000 0.302 455 V C -0.739 175.404 176.094 0.083 0.000 1.038 455 V CA -2.257 60.080 62.300 0.061 0.000 0.887 455 V CB 1.265 33.125 31.823 0.061 0.000 0.991 455 V HN -0.267 7.929 8.190 0.010 0.000 0.434 456 I N -0.537 120.112 120.570 0.132 0.000 3.145 456 I HA 0.667 nan 4.170 nan 0.000 0.313 456 I C -2.059 174.209 176.117 0.252 0.000 1.122 456 I CA -2.288 59.106 61.300 0.157 0.000 0.987 456 I CB 4.124 42.175 38.000 0.086 0.000 1.236 456 I HN 0.618 8.917 8.210 0.149 0.000 0.453 457 H N -2.472 116.670 119.070 0.119 0.000 2.525 457 H HA 0.464 nan 4.556 nan 0.000 0.340 457 H C -0.928 174.481 175.328 0.134 0.000 1.168 457 H CA -2.092 53.979 56.048 0.038 0.000 1.247 457 H CB 1.845 31.537 29.762 -0.117 0.000 1.568 457 H HN 0.194 8.481 8.280 0.011 0.000 0.536 458 W N -4.824 116.491 121.300 0.025 0.000 3.042 458 W HA 0.484 nan 4.660 nan 0.000 0.342 458 W C -2.245 174.297 176.519 0.038 0.000 1.240 458 W CA -1.267 56.079 57.345 0.002 0.000 1.166 458 W CB 1.787 31.258 29.460 0.019 0.000 1.469 458 W HN -0.246 7.506 8.180 -0.712 0.000 0.579 459 V N 0.252 120.332 119.914 0.276 0.000 2.577 459 V HA 0.173 nan 4.120 nan 0.000 0.294 459 V C -0.808 175.467 176.094 0.301 0.000 1.052 459 V CA -0.441 61.951 62.300 0.153 0.000 0.891 459 V CB 2.451 34.327 31.823 0.088 0.000 1.017 459 V HN 0.089 8.532 8.190 0.421 0.000 0.436 460 S N 6.784 122.680 115.700 0.326 0.000 2.737 460 S HA -0.214 nan 4.470 nan 0.000 0.315 460 S C 1.213 175.804 174.600 -0.015 0.000 1.236 460 S CA 0.675 58.953 58.200 0.130 0.000 1.093 460 S CB 0.573 63.929 63.200 0.260 0.000 0.832 460 S HN 0.542 9.095 8.310 0.405 0.000 0.507 461 A N 7.866 130.511 122.820 -0.291 0.000 1.917 461 A HA -0.298 nan 4.320 nan 0.000 0.219 461 A C 1.551 178.950 177.584 -0.308 0.000 1.182 461 A CA 2.954 54.698 52.037 -0.489 0.000 0.633 461 A CB -0.598 17.846 19.000 -0.926 0.000 0.819 461 A HN 0.353 8.269 8.150 -0.389 0.000 0.448 462 A N -1.699 120.907 122.820 -0.356 0.000 1.933 462 A HA -0.183 nan 4.320 nan 0.000 0.218 462 A C 0.786 178.048 177.584 -0.537 0.000 1.175 462 A CA 2.626 54.372 52.037 -0.485 0.000 0.628 462 A CB -0.144 18.456 19.000 -0.667 0.000 0.814 462 A HN 0.233 8.159 8.150 -0.350 0.014 0.444 463 H N -3.971 115.066 119.070 -0.055 0.000 2.505 463 H HA 0.174 nan 4.556 nan 0.000 0.286 463 H C -1.369 173.955 175.328 -0.007 0.000 1.072 463 H CA -1.512 54.524 56.048 -0.019 0.000 1.141 463 H CB -0.326 29.433 29.762 -0.005 0.000 1.550 463 H HN -0.467 7.595 8.280 -0.169 0.116 0.547 464 A N 0.434 123.280 122.820 0.043 0.000 2.409 464 A HA -0.035 nan 4.320 nan 0.000 0.262 464 A C -1.087 176.574 177.584 0.129 0.000 1.113 464 A CA 0.148 52.225 52.037 0.066 0.000 0.790 464 A CB 0.720 19.684 19.000 -0.059 0.000 1.046 464 A HN -0.576 7.376 8.150 -0.039 0.175 0.496 465 L N 4.838 126.152 121.223 0.152 0.000 2.262 465 L HA 0.458 nan 4.340 nan 0.000 0.288 465 L C -2.382 174.603 176.870 0.192 0.000 1.035 465 L CA -3.481 51.442 54.840 0.137 0.000 0.820 465 L CB 1.692 43.780 42.059 0.047 0.000 1.204 465 L HN 0.520 8.709 8.230 0.103 0.103 0.424 466 P HA 0.021 nan 4.420 nan 0.000 0.266 466 P C -1.973 175.288 177.300 -0.065 0.000 1.215 466 P CA -0.002 63.109 63.100 0.019 0.000 0.763 466 P CB -0.179 31.565 31.700 0.072 0.000 0.806 467 V N 5.730 125.530 119.914 -0.190 0.000 2.686 467 V HA 0.234 nan 4.120 nan 0.000 0.306 467 V C -2.082 173.965 176.094 -0.079 0.000 1.065 467 V CA -1.601 60.663 62.300 -0.059 0.000 0.894 467 V CB 4.351 36.143 31.823 -0.053 0.000 1.004 467 V HN 0.281 8.238 8.190 -0.387 0.000 0.424 468 E N 8.354 128.571 120.200 0.029 0.000 2.316 468 E HA 0.404 nan 4.350 nan 0.000 0.275 468 E C -1.612 175.054 176.600 0.109 0.000 1.029 468 E CA -0.762 55.646 56.400 0.013 0.000 0.871 468 E CB 1.738 31.448 29.700 0.016 0.000 1.022 468 E HN -0.008 8.404 8.360 0.086 0.000 0.418 469 I N 5.851 126.453 120.570 0.055 0.000 2.433 469 I HA 0.558 nan 4.170 nan 0.000 0.292 469 I C -1.458 174.704 176.117 0.075 0.000 1.001 469 I CA -1.356 60.033 61.300 0.149 0.000 1.119 469 I CB 2.338 40.415 38.000 0.128 0.000 1.289 469 I HN 0.578 8.659 8.210 -0.022 0.115 0.438 470 R N 5.688 126.240 120.500 0.086 0.000 2.288 470 R HA 0.535 nan 4.340 nan 0.000 0.326 470 R C -1.361 174.764 176.300 -0.290 0.000 0.959 470 R CA -1.502 54.488 56.100 -0.182 0.000 0.834 470 R CB 1.088 31.235 30.300 -0.255 0.000 1.157 470 R HN 1.008 9.310 8.270 0.226 0.103 0.470 471 L N 5.854 126.912 121.223 -0.274 0.000 2.268 471 L HA 0.198 nan 4.340 nan 0.000 0.289 471 L C -1.300 175.390 176.870 -0.300 0.000 1.064 471 L CA -0.832 53.896 54.840 -0.187 0.000 0.824 471 L CB -0.005 42.015 42.059 -0.066 0.000 1.202 471 L HN 0.473 8.562 8.230 -0.234 0.000 0.433 472 Y N 3.853 124.136 120.300 -0.029 0.000 2.308 472 Y HA 0.225 nan 4.550 nan 0.000 0.329 472 Y C -0.768 175.106 175.900 -0.043 0.000 1.111 472 Y CA -0.030 58.051 58.100 -0.032 0.000 1.179 472 Y CB 1.275 39.720 38.460 -0.025 0.000 1.201 472 Y HN 0.176 8.451 8.280 -0.009 0.000 0.483 473 D N 1.817 122.276 120.400 0.097 0.000 2.585 473 D HA 0.342 nan 4.640 nan 0.000 0.254 473 D C -1.274 175.029 176.300 0.006 0.000 1.067 473 D CA -2.867 51.145 54.000 0.020 0.000 1.090 473 D CB 3.858 44.642 40.800 -0.027 0.000 1.408 473 D HN 0.744 9.054 8.370 0.112 0.127 0.554 474 R N -0.252 120.217 120.500 -0.051 0.000 2.570 474 R HA -0.018 nan 4.340 nan 0.000 0.277 474 R C -0.375 175.892 176.300 -0.055 0.000 1.039 474 R CA 0.393 56.463 56.100 -0.050 0.000 1.065 474 R CB -0.027 30.181 30.300 -0.154 0.000 0.964 474 R HN 0.271 8.489 8.270 -0.086 0.000 0.428 475 L N 0.734 121.925 121.223 -0.054 0.000 2.083 475 L HA -0.069 nan 4.340 nan 0.000 0.209 475 L C -0.307 176.272 176.870 -0.485 0.000 1.083 475 L CA 2.434 57.110 54.840 -0.273 0.000 0.752 475 L CB 0.719 42.575 42.059 -0.338 0.000 0.899 475 L HN 0.471 8.711 8.230 0.017 0.000 0.433 476 F N -5.693 114.310 119.950 0.089 0.000 2.541 476 F HA 0.158 nan 4.527 nan 0.000 0.331 476 F C -0.924 174.957 175.800 0.134 0.000 1.057 476 F CA -0.863 57.208 58.000 0.120 0.000 0.975 476 F CB 2.843 41.944 39.000 0.169 0.000 1.246 476 F HN -0.907 7.524 8.300 0.244 0.016 0.484 477 S N -0.562 115.330 115.700 0.320 0.000 2.568 477 S HA 0.089 nan 4.470 nan 0.000 0.232 477 S C -0.596 174.188 174.600 0.307 0.000 0.975 477 S CA 0.277 58.611 58.200 0.223 0.000 0.949 477 S CB 0.676 63.946 63.200 0.116 0.000 0.829 477 S HN 0.252 8.775 8.310 0.354 0.000 0.479 478 V N -5.151 114.989 119.914 0.377 0.000 2.962 478 V HA 0.559 nan 4.120 nan 0.000 0.313 478 V C -2.570 173.557 176.094 0.056 0.000 1.099 478 V CA -3.354 59.080 62.300 0.224 0.000 0.971 478 V CB 1.643 33.529 31.823 0.105 0.000 1.028 478 V HN -0.526 7.866 8.190 0.444 0.065 0.430 479 P HA 0.100 nan 4.420 nan 0.000 0.225 479 P C -1.229 175.838 177.300 -0.389 0.000 1.156 479 P CA 1.159 63.800 63.100 -0.765 0.000 0.787 479 P CB 0.651 31.980 31.700 -0.618 0.000 0.802 480 N N -3.159 115.409 118.700 -0.220 0.000 2.813 480 N HA 0.320 nan 4.740 nan 0.000 0.282 480 N C -1.263 174.141 175.510 -0.177 0.000 1.748 480 N CA -3.341 49.598 53.050 -0.184 0.000 0.860 480 N CB -0.916 37.485 38.487 -0.144 0.000 1.204 480 N HN -0.043 8.208 8.380 -0.169 0.027 0.490 481 P HA -0.116 nan 4.420 nan 0.000 0.223 481 P C 1.161 178.301 177.300 -0.267 0.000 1.144 481 P CA 1.387 64.310 63.100 -0.296 0.000 0.783 481 P CB 0.144 31.355 31.700 -0.815 0.000 0.771 482 G N -0.958 107.670 108.800 -0.286 0.000 2.408 482 G HA2 -0.199 nan 3.960 nan 0.000 0.217 482 G HA3 -0.199 nan 3.960 nan 0.000 0.217 482 G C 0.007 174.811 174.900 -0.160 0.000 1.150 482 G CA 1.075 46.019 45.100 -0.259 0.000 0.776 482 G HN -0.339 7.792 8.290 -0.286 -0.012 0.542 483 A N 0.196 122.942 122.820 -0.123 0.000 2.291 483 A HA 0.090 nan 4.320 nan 0.000 0.220 483 A C -0.750 176.806 177.584 -0.046 0.000 1.262 483 A CA -0.437 51.552 52.037 -0.080 0.000 0.867 483 A CB -0.679 18.276 19.000 -0.075 0.000 0.888 483 A HN -0.480 7.687 8.150 -0.137 -0.099 0.487 484 A N -0.690 122.111 122.820 -0.031 0.000 2.282 484 A HA 0.215 nan 4.320 nan 0.000 0.319 484 A C 0.199 177.805 177.584 0.036 0.000 1.121 484 A CA -1.072 50.973 52.037 0.012 0.000 0.836 484 A CB 1.286 20.310 19.000 0.040 0.000 1.146 484 A HN -0.739 7.185 8.150 -0.051 0.195 0.494 485 D N -0.467 119.954 120.400 0.036 0.000 2.144 485 D HA -0.163 nan 4.640 nan 0.000 0.200 485 D C -0.371 175.972 176.300 0.072 0.000 0.978 485 D CA 2.122 56.146 54.000 0.040 0.000 0.833 485 D CB 0.271 41.087 40.800 0.026 0.000 0.961 485 D HN 0.240 8.627 8.370 0.028 0.000 0.470 486 D N -1.894 118.555 120.400 0.082 0.000 2.479 486 D HA 0.087 nan 4.640 nan 0.000 0.246 486 D C -0.815 175.549 176.300 0.108 0.000 1.336 486 D CA -0.900 53.154 54.000 0.090 0.000 0.967 486 D CB 1.125 41.934 40.800 0.014 0.000 1.275 486 D HN -0.392 8.008 8.370 0.065 0.009 0.577 487 F N 1.073 121.025 119.950 0.003 0.000 2.234 487 F HA -0.070 nan 4.527 nan 0.000 0.299 487 F C 0.692 176.583 175.800 0.151 0.000 1.087 487 F CA 0.898 58.905 58.000 0.011 0.000 1.340 487 F CB -0.323 38.614 39.000 -0.105 0.000 1.031 487 F HN 0.049 8.726 8.300 0.628 0.000 0.500 488 L N 0.304 121.127 121.223 -0.665 0.000 2.042 488 L HA -0.364 nan 4.340 nan 0.000 0.210 488 L C 2.035 178.763 176.870 -0.238 0.000 1.076 488 L CA 3.144 57.662 54.840 -0.536 0.000 0.749 488 L CB -1.302 40.419 42.059 -0.564 0.000 0.893 488 L HN -0.372 7.517 8.230 -0.822 -0.151 0.432 489 S N -3.705 111.910 115.700 -0.142 0.000 2.547 489 S HA -0.227 nan 4.470 nan 0.000 0.235 489 S C 0.819 175.410 174.600 -0.016 0.000 0.980 489 S CA 1.823 59.977 58.200 -0.077 0.000 0.941 489 S CB -0.478 62.696 63.200 -0.043 0.000 0.763 489 S HN -0.148 8.232 8.310 -0.140 -0.154 0.532 490 V N 1.295 121.242 119.914 0.055 0.000 3.271 490 V HA 0.155 nan 4.120 nan 0.000 0.327 490 V C -1.414 174.810 176.094 0.217 0.000 1.389 490 V CA -1.188 61.200 62.300 0.146 0.000 1.156 490 V CB 0.450 32.382 31.823 0.181 0.000 1.103 490 V HN -0.384 7.628 8.190 0.056 0.212 0.453 491 I N 0.827 121.424 120.570 0.045 0.000 2.692 491 I HA -0.220 nan 4.170 nan 0.000 0.284 491 I C -0.997 175.043 176.117 -0.128 0.000 1.159 491 I CA 1.110 62.304 61.300 -0.177 0.000 1.423 491 I CB 0.368 38.187 38.000 -0.301 0.000 1.380 491 I HN -0.415 7.620 8.210 -0.022 0.162 0.580 492 N N 6.667 125.263 118.700 -0.173 0.000 2.430 492 N HA 0.151 nan 4.740 nan 0.000 0.265 492 N C 0.041 175.489 175.510 -0.103 0.000 1.100 492 N CA -2.452 50.539 53.050 -0.099 0.000 0.961 492 N CB 0.922 39.355 38.487 -0.091 0.000 1.075 492 N HN 0.507 8.593 8.380 -0.305 0.110 0.478 493 P HA -0.049 nan 4.420 nan 0.000 0.229 493 P C 0.032 177.295 177.300 -0.060 0.000 1.160 493 P CA 1.291 64.350 63.100 -0.069 0.000 0.777 493 P CB 0.421 32.089 31.700 -0.054 0.000 0.814 494 E N -1.736 118.430 120.200 -0.057 0.000 2.437 494 E HA 0.127 nan 4.350 nan 0.000 0.195 494 E C -0.088 176.479 176.600 -0.055 0.000 1.029 494 E CA -0.838 55.530 56.400 -0.053 0.000 0.948 494 E CB -0.669 29.004 29.700 -0.045 0.000 1.082 494 E HN -0.063 8.590 8.360 -0.057 -0.326 0.456 495 S N -1.865 113.800 115.700 -0.058 0.000 2.442 495 S HA -0.220 nan 4.470 nan 0.000 0.236 495 S C -0.279 174.324 174.600 0.004 0.000 1.007 495 S CA 2.353 60.532 58.200 -0.034 0.000 0.965 495 S CB 0.566 63.728 63.200 -0.062 0.000 0.773 495 S HN -0.485 7.700 8.310 -0.070 0.083 0.504 496 L N -1.489 119.706 121.223 -0.047 0.000 2.482 496 L HA 0.483 nan 4.340 nan 0.000 0.269 496 L C -2.155 174.624 176.870 -0.151 0.000 0.967 496 L CA 0.003 54.758 54.840 -0.142 0.000 0.851 496 L CB 2.646 44.650 42.059 -0.090 0.000 1.242 496 L HN -0.825 7.339 8.230 -0.053 0.034 0.404 497 V N 8.946 128.748 119.914 -0.187 0.000 2.376 497 V HA 0.503 nan 4.120 nan 0.000 0.287 497 V C -1.981 174.027 176.094 -0.143 0.000 1.015 497 V CA -1.666 60.556 62.300 -0.129 0.000 0.834 497 V CB 2.450 34.222 31.823 -0.085 0.000 1.001 497 V HN 1.055 8.982 8.190 -0.249 0.114 0.428 498 I N 9.333 129.828 120.570 -0.124 0.000 2.337 498 I HA 0.317 nan 4.170 nan 0.000 0.291 498 I C -0.206 175.859 176.117 -0.087 0.000 1.046 498 I CA 0.233 61.466 61.300 -0.111 0.000 1.324 498 I CB -0.027 37.909 38.000 -0.106 0.000 1.409 498 I HN 0.333 8.478 8.210 -0.110 0.000 0.494 499 K N 7.714 128.068 120.400 -0.077 0.000 2.211 499 K HA 0.539 nan 4.320 nan 0.000 0.237 499 K C -1.471 175.055 176.600 -0.122 0.000 1.002 499 K CA -2.807 53.426 56.287 -0.090 0.000 0.885 499 K CB 2.310 34.767 32.500 -0.072 0.000 1.136 499 K HN 0.778 8.989 8.250 -0.065 0.000 0.448 500 Q N -1.137 118.552 119.800 -0.185 0.000 2.321 500 Q HA 0.605 nan 4.340 nan 0.000 0.270 500 Q C -0.869 174.874 176.000 -0.429 0.000 1.032 500 Q CA -0.870 54.767 55.803 -0.277 0.000 0.784 500 Q CB 2.925 31.502 28.738 -0.269 0.000 1.264 500 Q HN 0.301 8.463 8.270 -0.180 0.000 0.448 501 G N 0.254 108.716 108.800 -0.563 0.000 2.947 501 G HA2 0.664 nan 3.960 nan 0.000 0.293 501 G HA3 0.664 nan 3.960 nan 0.000 0.293 501 G C -2.827 171.423 174.900 -1.083 0.000 1.243 501 G CA -0.384 44.280 45.100 -0.728 0.000 0.802 501 G HN 0.511 8.513 8.290 -0.480 0.000 0.560 502 F N -2.443 117.283 119.950 -0.374 0.000 2.578 502 F HA 0.692 nan 4.527 nan 0.000 0.311 502 F C -2.241 173.347 175.800 -0.353 0.000 1.094 502 F CA -1.487 56.309 58.000 -0.340 0.000 0.923 502 F CB 4.928 43.690 39.000 -0.398 0.000 1.230 502 F HN 0.360 8.431 8.300 -0.381 0.000 0.450 503 A N 0.114 122.847 122.820 -0.145 0.000 2.454 503 A HA 0.898 nan 4.320 nan 0.000 0.302 503 A C -2.075 175.376 177.584 -0.221 0.000 1.079 503 A CA -1.890 49.933 52.037 -0.357 0.000 0.731 503 A CB 3.319 21.963 19.000 -0.594 0.000 1.299 503 A HN 0.823 8.848 8.150 -0.025 0.110 0.413 504 E N 0.933 120.958 120.200 -0.292 0.000 2.452 504 E HA 0.017 nan 4.350 nan 0.000 0.261 504 E C -0.645 175.872 176.600 -0.138 0.000 0.987 504 E CA -1.768 54.515 56.400 -0.195 0.000 0.926 504 E CB -1.163 28.384 29.700 -0.255 0.000 0.934 504 E HN 0.114 8.225 8.360 -0.415 0.000 0.452 505 P HA -0.264 nan 4.420 nan 0.000 0.219 505 P C 0.849 178.135 177.300 -0.023 0.000 1.145 505 P CA 2.454 65.547 63.100 -0.010 0.000 0.813 505 P CB -0.372 31.348 31.700 0.033 0.000 0.771 506 S N 0.007 115.672 115.700 -0.058 0.000 2.423 506 S HA -0.229 nan 4.470 nan 0.000 0.231 506 S C 2.070 176.641 174.600 -0.048 0.000 1.014 506 S CA 2.657 60.834 58.200 -0.038 0.000 0.965 506 S CB -0.483 62.690 63.200 -0.046 0.000 0.785 506 S HN -0.427 7.773 8.310 -0.086 0.059 0.495 507 L N 0.883 122.032 121.223 -0.124 0.000 2.642 507 L HA -0.144 nan 4.340 nan 0.000 0.236 507 L C 1.880 178.798 176.870 0.080 0.000 1.169 507 L CA 0.710 55.488 54.840 -0.104 0.000 0.851 507 L CB -1.920 40.008 42.059 -0.219 0.000 0.968 507 L HN 0.146 8.256 8.230 -0.165 0.022 0.453 508 K N 0.573 121.008 120.400 0.058 0.000 2.211 508 K HA -0.229 nan 4.320 nan 0.000 0.203 508 K C 0.779 177.440 176.600 0.103 0.000 1.050 508 K CA 2.188 58.526 56.287 0.085 0.000 0.945 508 K CB 0.053 32.590 32.500 0.062 0.000 0.732 508 K HN -0.403 7.628 8.250 0.019 0.230 0.451 509 D N -2.318 118.149 120.400 0.111 0.000 2.358 509 D HA 0.105 nan 4.640 nan 0.000 0.224 509 D C -0.998 175.424 176.300 0.204 0.000 1.123 509 D CA -0.129 53.951 54.000 0.134 0.000 0.833 509 D CB -0.184 40.688 40.800 0.120 0.000 0.946 509 D HN -0.298 7.996 8.370 0.093 0.132 0.505 510 A N 0.931 123.903 122.820 0.253 0.000 2.440 510 A HA -0.005 nan 4.320 nan 0.000 0.251 510 A C -0.379 177.343 177.584 0.231 0.000 1.089 510 A CA 0.505 52.783 52.037 0.402 0.000 0.779 510 A CB 1.120 20.433 19.000 0.521 0.000 1.022 510 A HN -0.724 7.386 8.150 0.212 0.167 0.492 511 V N -4.029 116.010 119.914 0.208 0.000 2.612 511 V HA 0.236 nan 4.120 nan 0.000 0.301 511 V C -0.130 176.005 176.094 0.068 0.000 1.046 511 V CA -2.429 59.933 62.300 0.103 0.000 0.946 511 V CB 2.110 33.978 31.823 0.075 0.000 1.003 511 V HN -0.261 8.087 8.190 0.263 0.000 0.459 512 A N 2.779 125.617 122.820 0.030 0.000 2.566 512 A HA -0.202 nan 4.320 nan 0.000 0.245 512 A C 0.892 178.490 177.584 0.024 0.000 1.056 512 A CA 0.900 52.941 52.037 0.006 0.000 0.757 512 A CB -0.191 18.808 19.000 -0.002 0.000 0.979 512 A HN 0.234 8.401 8.150 0.029 0.000 0.508 513 G N 2.777 111.591 108.800 0.025 0.000 2.225 513 G HA2 -0.460 nan 3.960 nan 0.000 0.264 513 G HA3 -0.460 nan 3.960 nan 0.000 0.264 513 G C -1.254 173.662 174.900 0.026 0.000 1.060 513 G CA 0.051 45.177 45.100 0.043 0.000 0.833 513 G HN 0.300 8.597 8.290 0.012 0.000 0.498 514 K N 0.886 121.283 120.400 -0.004 0.000 2.572 514 K HA 0.209 nan 4.320 nan 0.000 0.244 514 K C -1.631 174.848 176.600 -0.202 0.000 0.965 514 K CA -1.982 54.231 56.287 -0.124 0.000 0.943 514 K CB 1.621 34.018 32.500 -0.172 0.000 1.154 514 K HN -0.665 7.605 8.250 0.034 0.000 0.447 515 A N 4.537 127.272 122.820 -0.141 0.000 2.492 515 A HA 0.160 nan 4.320 nan 0.000 0.254 515 A C -0.760 176.749 177.584 -0.125 0.000 1.091 515 A CA 0.636 52.642 52.037 -0.052 0.000 0.768 515 A CB 0.248 19.229 19.000 -0.031 0.000 1.028 515 A HN 0.294 8.378 8.150 -0.110 0.000 0.498 516 F N 2.592 122.652 119.950 0.182 0.000 2.538 516 F HA 0.337 nan 4.527 nan 0.000 0.325 516 F C -1.453 174.454 175.800 0.180 0.000 1.066 516 F CA -0.812 57.311 58.000 0.206 0.000 0.946 516 F CB 4.701 43.884 39.000 0.305 0.000 1.199 516 F HN 0.747 9.260 8.300 0.355 0.000 0.473 517 Q N 2.154 122.185 119.800 0.385 0.000 2.431 517 Q HA 0.394 nan 4.340 nan 0.000 0.249 517 Q C -0.865 175.253 176.000 0.197 0.000 1.025 517 Q CA -1.777 54.102 55.803 0.126 0.000 0.835 517 Q CB 1.627 30.343 28.738 -0.037 0.000 1.207 517 Q HN 0.298 8.810 8.270 0.404 0.000 0.490 518 F N 6.305 126.216 119.950 -0.066 0.000 2.494 518 F HA 0.029 nan 4.527 nan 0.000 0.369 518 F C 0.035 175.657 175.800 -0.296 0.000 1.098 518 F CA -2.602 55.225 58.000 -0.288 0.000 1.154 518 F CB -1.054 37.582 39.000 -0.606 0.000 1.103 518 F HN 0.480 8.869 8.300 0.147 0.000 0.549 519 E N 5.827 125.948 120.200 -0.132 0.000 2.529 519 E HA -0.307 nan 4.350 nan 0.000 0.259 519 E C -0.221 176.194 176.600 -0.308 0.000 0.966 519 E CA 1.946 58.227 56.400 -0.198 0.000 0.937 519 E CB -0.086 29.512 29.700 -0.169 0.000 0.923 519 E HN -0.362 7.920 8.360 -0.130 0.000 0.468 520 R N 0.474 120.854 120.500 -0.200 0.000 3.954 520 R HA -0.295 nan 4.340 nan 0.000 0.422 520 R C -0.672 175.547 176.300 -0.134 0.000 1.091 520 R CA 2.137 58.142 56.100 -0.159 0.000 1.168 520 R CB -1.740 28.469 30.300 -0.153 0.000 1.752 520 R HN 0.736 8.910 8.270 -0.159 0.000 0.547 521 E N -2.648 117.484 120.200 -0.112 0.000 2.625 521 E HA 0.381 nan 4.350 nan 0.000 0.185 521 E C -0.813 175.852 176.600 0.108 0.000 1.085 521 E CA 0.075 56.503 56.400 0.046 0.000 1.137 521 E CB 2.374 32.131 29.700 0.096 0.000 1.687 521 E HN -0.209 7.996 8.360 -0.138 0.073 0.512 522 G N -4.233 104.688 108.800 0.202 0.000 2.340 522 G HA2 0.224 nan 3.960 nan 0.000 0.299 522 G HA3 0.224 nan 3.960 nan 0.000 0.299 522 G C -2.872 171.969 174.900 -0.098 0.000 1.291 522 G CA 0.477 45.534 45.100 -0.071 0.000 0.841 522 G HN -0.608 7.873 8.290 0.320 0.000 0.500 523 Y N -1.835 118.438 120.300 -0.044 0.000 2.336 523 Y HA 0.476 nan 4.550 nan 0.000 0.335 523 Y C -0.778 174.986 175.900 -0.226 0.000 1.046 523 Y CA 0.050 58.129 58.100 -0.035 0.000 1.198 523 Y CB 0.705 39.112 38.460 -0.089 0.000 1.182 523 Y HN -0.314 7.910 8.280 -0.093 0.000 0.502 524 F N 1.755 121.585 119.950 -0.199 0.000 2.618 524 F HA 0.766 nan 4.527 nan 0.000 0.332 524 F C -1.675 174.163 175.800 0.062 0.000 1.061 524 F CA -1.924 55.957 58.000 -0.199 0.000 0.974 524 F CB 4.585 43.135 39.000 -0.750 0.000 1.310 524 F HN 0.771 9.079 8.300 0.188 0.104 0.491 525 C N -3.249 116.264 119.300 0.355 0.000 3.082 525 C HA 0.534 nan 4.460 nan 0.000 0.324 525 C C -2.115 172.932 174.990 0.096 0.000 1.210 525 C CA -2.687 56.495 59.018 0.273 0.000 1.366 525 C CB 3.331 31.149 27.740 0.131 0.000 1.756 525 C HN 0.884 9.327 8.230 0.355 0.000 0.485 526 L N 1.122 122.258 121.223 -0.145 0.000 2.433 526 L HA 0.087 nan 4.340 nan 0.000 0.275 526 L C -0.706 176.069 176.870 -0.159 0.000 1.128 526 L CA 0.460 55.030 54.840 -0.451 0.000 0.875 526 L CB 0.546 42.341 42.059 -0.440 0.000 1.171 526 L HN 0.520 8.756 8.230 0.008 0.000 0.463 527 D N 7.400 127.744 120.400 -0.094 0.000 2.349 527 D HA -0.107 nan 4.640 nan 0.000 0.266 527 D C 0.200 176.477 176.300 -0.038 0.000 1.293 527 D CA 0.573 54.569 54.000 -0.006 0.000 0.926 527 D CB 0.797 41.658 40.800 0.102 0.000 1.090 527 D HN 0.047 8.242 8.370 -0.118 0.104 0.502 528 S N 6.654 122.324 115.700 -0.048 0.000 2.419 528 S HA -0.233 nan 4.470 nan 0.000 0.233 528 S C 1.219 175.782 174.600 -0.061 0.000 1.016 528 S CA 2.501 60.673 58.200 -0.046 0.000 0.974 528 S CB 0.400 63.578 63.200 -0.037 0.000 0.786 528 S HN 0.283 8.566 8.310 -0.044 0.000 0.492 529 R N -0.893 119.535 120.500 -0.120 0.000 2.148 529 R HA -0.168 nan 4.340 nan 0.000 0.223 529 R C 1.408 177.555 176.300 -0.255 0.000 1.088 529 R CA 2.031 57.996 56.100 -0.226 0.000 0.985 529 R CB 0.365 30.449 30.300 -0.359 0.000 0.880 529 R HN -0.397 7.897 8.270 -0.118 -0.095 0.451 530 H N -3.960 115.117 119.070 0.013 0.000 3.017 530 H HA 0.187 nan 4.556 nan 0.000 0.255 530 H C 0.179 175.514 175.328 0.011 0.000 0.990 530 H CA -0.083 55.976 56.048 0.017 0.000 1.205 530 H CB 1.617 31.398 29.762 0.031 0.000 1.460 530 H HN -0.493 7.928 8.280 -0.016 -0.151 0.478 531 S N 0.322 116.086 115.700 0.106 0.000 2.580 531 S HA -0.028 nan 4.470 nan 0.000 0.266 531 S C -0.704 173.927 174.600 0.051 0.000 1.354 531 S CA 1.870 60.105 58.200 0.057 0.000 1.008 531 S CB 0.729 63.927 63.200 -0.005 0.000 0.898 531 S HN -0.538 7.815 8.310 0.072 0.000 0.555 532 T N -1.790 112.792 114.554 0.047 0.000 2.589 532 T HA 0.285 nan 4.350 nan 0.000 0.261 532 T C -0.646 174.080 174.700 0.044 0.000 0.936 532 T CA -0.833 61.293 62.100 0.043 0.000 1.202 532 T CB 0.426 69.320 68.868 0.044 0.000 1.576 532 T HN 0.006 8.275 8.240 0.049 0.000 0.464 533 A N -0.188 122.658 122.820 0.043 0.000 1.884 533 A HA 0.284 nan 4.320 nan 0.000 0.212 533 A C 0.931 178.546 177.584 0.053 0.000 1.265 533 A CA 1.347 53.411 52.037 0.046 0.000 0.626 533 A CB -0.019 19.006 19.000 0.040 0.000 0.943 533 A HN 0.055 8.229 8.150 0.040 0.000 0.466 534 E N -0.406 119.823 120.200 0.048 0.000 2.028 534 E HA -0.123 nan 4.350 nan 0.000 0.190 534 E C 0.615 177.249 176.600 0.057 0.000 0.984 534 E CA 1.173 57.603 56.400 0.051 0.000 0.800 534 E CB 0.285 30.011 29.700 0.042 0.000 0.758 534 E HN 0.099 8.485 8.360 0.043 0.000 0.448 535 K N -0.268 120.163 120.400 0.051 0.000 2.281 535 K HA 0.393 nan 4.320 nan 0.000 0.272 535 K C -2.916 173.729 176.600 0.074 0.000 1.048 535 K CA -2.927 53.392 56.287 0.054 0.000 0.898 535 K CB 1.134 33.654 32.500 0.032 0.000 1.128 535 K HN -0.734 7.543 8.250 0.045 0.000 0.460 536 P HA 0.406 nan 4.420 nan 0.000 0.293 536 P C -2.184 175.218 177.300 0.170 0.000 1.291 536 P CA -1.027 62.150 63.100 0.128 0.000 0.867 536 P CB 1.541 33.395 31.700 0.255 0.000 1.074 537 V N 0.743 120.705 119.914 0.080 0.000 2.448 537 V HA 0.670 nan 4.120 nan 0.000 0.295 537 V C -1.075 175.075 176.094 0.093 0.000 1.025 537 V CA -0.837 61.555 62.300 0.153 0.000 0.859 537 V CB 2.031 33.943 31.823 0.147 0.000 0.988 537 V HN 0.458 8.634 8.190 -0.025 0.000 0.431 538 F N 6.711 126.772 119.950 0.184 0.000 2.467 538 F HA 0.487 nan 4.527 nan 0.000 0.336 538 F C -1.361 174.610 175.800 0.284 0.000 1.123 538 F CA -1.843 56.307 58.000 0.251 0.000 0.964 538 F CB 3.196 42.384 39.000 0.314 0.000 1.136 538 F HN 0.968 9.568 8.300 0.501 0.000 0.447 539 N N 3.376 122.316 118.700 0.400 0.000 2.498 539 N HA 0.533 nan 4.740 nan 0.000 0.287 539 N C -1.615 174.028 175.510 0.221 0.000 1.097 539 N CA -0.396 52.897 53.050 0.405 0.000 0.973 539 N CB 1.721 40.420 38.487 0.352 0.000 1.153 539 N HN 0.794 9.354 8.380 0.299 0.000 0.472 540 R N 3.358 123.884 120.500 0.044 0.000 2.196 540 R HA 0.297 nan 4.340 nan 0.000 0.340 540 R C 0.902 177.058 176.300 -0.240 0.000 1.043 540 R CA -0.589 55.149 56.100 -0.602 0.000 0.883 540 R CB 0.538 30.356 30.300 -0.803 0.000 1.078 540 R HN 0.045 8.447 8.270 0.221 0.000 0.462 541 T N 7.922 122.331 114.554 -0.242 0.000 2.643 541 T HA -0.224 nan 4.350 nan 0.000 0.264 541 T C -0.479 174.174 174.700 -0.079 0.000 1.045 541 T CA 4.391 66.436 62.100 -0.091 0.000 1.155 541 T CB 0.192 68.997 68.868 -0.105 0.000 0.863 541 T HN 0.221 8.258 8.240 -0.339 0.000 0.420 542 V N -0.347 119.496 119.914 -0.119 0.000 3.077 542 V HA 0.309 nan 4.120 nan 0.000 0.299 542 V C -2.042 174.021 176.094 -0.051 0.000 1.276 542 V CA -0.987 61.283 62.300 -0.050 0.000 0.993 542 V CB 3.098 34.903 31.823 -0.029 0.000 1.076 542 V HN -0.810 7.282 8.190 -0.163 0.000 0.434 543 G N 2.678 111.456 108.800 -0.036 0.000 2.580 543 G HA2 0.442 nan 3.960 nan 0.000 0.278 543 G HA3 0.442 nan 3.960 nan 0.000 0.278 543 G C -1.398 173.507 174.900 0.007 0.000 1.212 543 G CA -1.053 44.029 45.100 -0.031 0.000 0.939 543 G HN -0.054 8.224 8.290 -0.020 0.000 0.513 544 L N -1.062 120.151 121.223 -0.017 0.000 2.479 544 L HA 0.114 nan 4.340 nan 0.000 0.249 544 L C 0.960 177.843 176.870 0.022 0.000 1.178 544 L CA -1.279 53.556 54.840 -0.008 0.000 0.811 544 L CB 1.477 43.503 42.059 -0.054 0.000 1.187 544 L HN -0.332 7.884 8.230 -0.023 0.000 0.480 545 R N 1.208 121.728 120.500 0.032 0.000 2.605 545 R HA -0.140 nan 4.340 nan 0.000 0.271 545 R C -0.407 175.908 176.300 0.025 0.000 1.418 545 R CA 0.255 56.375 56.100 0.034 0.000 1.102 545 R CB -0.642 29.682 30.300 0.040 0.000 1.131 545 R HN 0.261 8.553 8.270 0.036 0.000 0.554 546 D N 8.193 128.607 120.400 0.024 0.000 2.600 546 D HA -0.031 nan 4.640 nan 0.000 0.226 546 D C -0.143 176.173 176.300 0.026 0.000 1.119 546 D CA -0.101 53.913 54.000 0.023 0.000 1.051 546 D CB -0.705 40.110 40.800 0.025 0.000 1.106 546 D HN -0.215 8.157 8.370 0.025 0.012 0.491 547 T N 0.000 114.569 114.554 0.025 0.000 3.816 547 T HA 0.000 nan 4.350 nan 0.000 0.228 547 T CA 0.000 62.115 62.100 0.026 0.000 1.349 547 T CB 0.000 68.883 68.868 0.025 0.000 0.612 547 T HN 0.000 8.212 8.240 0.023 0.042 0.658