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 2eaa_1_A DATA FIRST_RESID 14 DATA SEQUENCE DSRGENNPFY FSSDRRFHTL FTNQYGHLRI LHRFDQRSKQ IQNLENYRVV DATA SEQUENCE EFKSKPNTLL LPHHADADFL LVVLNGRAIL TLVNPDSRDS YILEQGHAQK DATA SEQUENCE IPAGTTFFLV NPDDNENLRI IKLAIPVNNP HRFQDFFLSS TEAQQSYLRG DATA SEQUENCE FSKNILEASF DSDFKEINRV LFGEXXXXXX XXESREEGVI VELKREQIQE DATA SEQUENCE LMKHAKSSXX XXXSSQDEPF NLRNSKPIYS NKFGRWYEMT PEKNPQLKDL DATA SEQUENCE DVFISSVDMK EGALLLPHYN SKAIVIMVIN EGEAKIELVG LSDXXXXXXX DATA SEQUENCE XESLEVQRYR AELSEDDVFV IPAAYPVAIN ATSNLNFFAF GINAENNQRN DATA SEQUENCE FLAGGKDNVM SEIPTEVLEV SFPASGKKVE KLIKKQSESH FVDAQP 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 14 D HA 0.000 nan 4.640 nan 0.000 0.175 14 D C 0.000 176.262 176.300 -0.063 0.000 2.045 14 D CA 0.000 53.941 54.000 -0.098 0.000 0.868 14 D CB 0.000 40.765 40.800 -0.058 0.000 0.688 15 S N 3.891 119.539 115.700 -0.087 0.000 2.410 15 S HA 0.629 5.099 4.470 -0.000 0.000 0.304 15 S C 0.195 174.867 174.600 0.121 0.000 1.095 15 S CA -0.835 57.396 58.200 0.051 0.000 1.089 15 S CB 0.738 64.047 63.200 0.182 0.000 0.968 15 S HN 0.444 nan 8.310 nan 0.000 0.480 16 R N 1.413 121.967 120.500 0.090 0.000 2.888 16 R HA 0.836 5.176 4.340 -0.000 0.000 0.266 16 R C 0.633 176.977 176.300 0.075 0.000 1.020 16 R CA -0.553 55.595 56.100 0.079 0.000 0.963 16 R CB 0.295 30.613 30.300 0.030 0.000 1.197 16 R HN 0.685 nan 8.270 nan 0.000 0.481 17 G N 1.426 110.237 108.800 0.019 0.000 2.596 17 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.295 17 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.295 17 G C 0.464 175.515 174.900 0.252 0.000 1.240 17 G CA 0.483 45.605 45.100 0.037 0.000 0.985 17 G HN 0.701 nan 8.290 nan 0.000 0.555 18 E N 1.179 121.524 120.200 0.243 0.000 2.472 18 E HA -0.034 4.316 4.350 -0.000 0.000 0.200 18 E C 2.047 178.709 176.600 0.104 0.000 1.046 18 E CA 0.954 57.476 56.400 0.204 0.000 0.871 18 E CB -0.245 29.526 29.700 0.118 0.000 0.806 18 E HN 0.484 nan 8.360 nan 0.000 0.533 19 N N 0.758 119.520 118.700 0.103 0.000 2.280 19 N HA -0.050 4.690 4.740 -0.000 0.000 0.192 19 N C 0.108 175.670 175.510 0.087 0.000 1.109 19 N CA -0.030 53.059 53.050 0.064 0.000 0.855 19 N CB 0.205 38.725 38.487 0.055 0.000 0.974 19 N HN -0.045 nan 8.380 nan 0.000 0.482 20 N N 1.551 120.340 118.700 0.149 0.000 2.406 20 N HA 0.094 4.834 4.740 -0.000 0.000 0.251 20 N C -1.873 173.642 175.510 0.007 0.000 1.069 20 N CA -1.882 51.298 53.050 0.216 0.000 0.947 20 N CB 1.155 39.856 38.487 0.356 0.000 1.111 20 N HN 0.075 nan 8.380 nan 0.000 0.497 21 P HA -0.066 nan 4.420 nan 0.000 0.228 21 P C 0.463 177.326 177.300 -0.728 0.000 1.151 21 P CA 0.866 63.654 63.100 -0.520 0.000 0.770 21 P CB -0.006 31.343 31.700 -0.584 0.000 0.786 22 F N -2.050 117.728 119.950 -0.288 0.000 2.749 22 F HA 0.178 4.705 4.527 -0.000 0.000 0.300 22 F C 1.253 176.772 175.800 -0.467 0.000 1.103 22 F CA -0.531 57.205 58.000 -0.441 0.000 1.342 22 F CB -0.638 37.901 39.000 -0.768 0.000 1.098 22 F HN -0.135 nan 8.300 nan 0.000 0.586 23 Y N 0.473 120.643 120.300 -0.218 0.000 2.367 23 Y HA 0.419 4.969 4.550 -0.000 0.000 0.342 23 Y C -1.127 174.695 175.900 -0.130 0.000 0.979 23 Y CA -0.965 57.190 58.100 0.090 0.000 1.161 23 Y CB 0.212 38.826 38.460 0.256 0.000 1.155 23 Y HN -0.114 nan 8.280 nan 0.000 0.503 24 F N 5.292 125.101 119.950 -0.236 0.000 2.363 24 F HA 0.232 4.759 4.527 0.000 0.000 0.366 24 F C 0.257 175.815 175.800 -0.403 0.000 1.083 24 F CA -0.874 56.924 58.000 -0.337 0.000 1.176 24 F CB 0.898 39.778 39.000 -0.199 0.000 1.432 24 F HN 0.472 nan 8.300 nan 0.000 0.482 25 S N 0.048 115.389 115.700 -0.598 0.000 2.576 25 S HA 0.062 4.532 4.470 -0.000 0.000 0.276 25 S C 1.384 176.055 174.600 0.117 0.000 1.339 25 S CA -0.259 57.743 58.200 -0.330 0.000 1.039 25 S CB 1.731 64.692 63.200 -0.398 0.000 0.902 25 S HN 0.543 nan 8.310 nan 0.000 0.516 26 S N 1.012 116.831 115.700 0.198 0.000 2.419 26 S HA -0.168 4.302 4.470 -0.000 0.000 0.233 26 S C 1.379 176.019 174.600 0.067 0.000 1.016 26 S CA 1.605 59.882 58.200 0.127 0.000 0.974 26 S CB -0.791 62.394 63.200 -0.026 0.000 0.786 26 S HN 0.892 nan 8.310 nan 0.000 0.492 27 D N 1.002 121.436 120.400 0.057 0.000 2.144 27 D HA -0.072 4.568 4.640 -0.000 0.000 0.200 27 D C 1.902 178.213 176.300 0.018 0.000 0.978 27 D CA 1.147 55.165 54.000 0.030 0.000 0.833 27 D CB 0.124 40.953 40.800 0.049 0.000 0.961 27 D HN 0.680 nan 8.370 nan 0.000 0.470 28 R N -2.225 118.275 120.500 0.001 0.000 2.496 28 R HA 0.338 4.678 4.340 -0.000 0.000 0.369 28 R C 0.678 176.882 176.300 -0.161 0.000 0.896 28 R CA -0.395 55.683 56.100 -0.037 0.000 1.147 28 R CB 0.123 30.408 30.300 -0.026 0.000 1.697 28 R HN -0.182 nan 8.270 nan 0.000 0.518 29 R N 0.399 120.772 120.500 -0.212 0.000 2.586 29 R HA 0.416 4.756 4.340 -0.000 0.000 0.336 29 R C -1.258 174.556 176.300 -0.810 0.000 1.060 29 R CA 0.087 55.815 56.100 -0.621 0.000 1.079 29 R CB 0.185 30.251 30.300 -0.390 0.000 1.317 29 R HN -0.006 nan 8.270 nan 0.000 0.568 30 F N -1.141 118.579 119.950 -0.383 0.000 2.579 30 F HA 0.400 4.927 4.527 0.000 0.000 0.324 30 F C 0.226 176.077 175.800 0.085 0.000 1.058 30 F CA -0.893 57.045 58.000 -0.103 0.000 0.944 30 F CB 1.489 40.460 39.000 -0.050 0.000 1.245 30 F HN -0.054 nan 8.300 nan 0.000 0.477 31 H N 0.634 119.884 119.070 0.301 0.000 2.529 31 H HA 0.340 4.896 4.556 -0.000 0.000 0.348 31 H C -1.269 174.161 175.328 0.170 0.000 1.079 31 H CA -0.571 55.608 56.048 0.220 0.000 1.198 31 H CB 1.764 31.635 29.762 0.182 0.000 1.521 31 H HN 0.548 nan 8.280 nan 0.000 0.514 32 T N 6.816 121.098 114.554 -0.453 0.000 2.761 32 T HA 0.130 4.480 4.350 -0.000 0.000 0.296 32 T C 1.853 176.352 174.700 -0.335 0.000 0.934 32 T CA -0.370 61.554 62.100 -0.295 0.000 1.091 32 T CB 0.571 69.284 68.868 -0.259 0.000 0.896 32 T HN 0.530 nan 8.240 nan 0.000 0.515 33 L N 2.448 123.662 121.223 -0.015 0.000 2.127 33 L HA 0.366 4.706 4.340 -0.000 0.000 0.203 33 L C 0.347 177.329 176.870 0.186 0.000 1.080 33 L CA 0.745 55.654 54.840 0.116 0.000 0.768 33 L CB 0.129 42.320 42.059 0.220 0.000 0.924 33 L HN 0.538 nan 8.230 nan 0.000 0.444 34 F N -0.917 119.051 119.950 0.029 0.000 2.650 34 F HA 0.487 5.014 4.527 -0.000 0.000 0.310 34 F C -0.790 175.047 175.800 0.061 0.000 1.112 34 F CA -0.577 57.435 58.000 0.020 0.000 0.986 34 F CB 1.939 40.942 39.000 0.005 0.000 1.285 34 F HN -0.372 nan 8.300 nan 0.000 0.440 35 T N 5.613 119.565 114.554 -1.003 0.000 3.105 35 T HA 0.559 4.909 4.350 -0.000 0.000 0.321 35 T C -1.821 172.399 174.700 -0.800 0.000 1.135 35 T CA -0.527 61.195 62.100 -0.629 0.000 1.053 35 T CB 0.826 69.534 68.868 -0.266 0.000 1.133 35 T HN 1.023 nan 8.240 nan 0.000 0.463 36 N N 2.996 121.433 118.700 -0.437 0.000 3.204 36 N HA 0.259 4.999 4.740 -0.000 0.000 0.285 36 N C 0.484 175.925 175.510 -0.116 0.000 1.536 36 N CA -0.669 52.245 53.050 -0.226 0.000 0.832 36 N CB 0.758 39.235 38.487 -0.016 0.000 1.645 36 N HN 0.421 nan 8.380 nan 0.000 0.586 37 Q N -0.673 119.025 119.800 -0.169 0.000 2.297 37 Q HA -0.003 4.337 4.340 -0.000 0.000 0.208 37 Q C 0.328 176.062 176.000 -0.442 0.000 0.981 37 Q CA 1.846 57.434 55.803 -0.359 0.000 0.876 37 Q CB -0.662 27.742 28.738 -0.556 0.000 0.921 37 Q HN 0.649 nan 8.270 nan 0.000 0.446 38 Y N -1.073 119.225 120.300 -0.003 0.000 2.458 38 Y HA 0.505 5.055 4.550 -0.000 0.000 0.256 38 Y C 1.038 176.910 175.900 -0.047 0.000 1.159 38 Y CA 0.029 58.125 58.100 -0.006 0.000 1.261 38 Y CB 0.858 39.340 38.460 0.035 0.000 1.119 38 Y HN 0.091 nan 8.280 nan 0.000 0.524 39 G N -0.478 108.341 108.800 0.032 0.000 2.359 39 G HA2 0.382 4.342 3.960 -0.000 0.000 0.293 39 G HA3 0.382 4.342 3.960 -0.000 0.000 0.293 39 G C -1.967 172.892 174.900 -0.067 0.000 1.300 39 G CA -0.679 44.326 45.100 -0.159 0.000 0.888 39 G HN 0.334 nan 8.290 nan 0.000 0.541 40 H N -2.158 116.896 119.070 -0.027 0.000 2.967 40 H HA 0.810 5.366 4.556 0.000 0.000 0.318 40 H C -1.645 173.790 175.328 0.178 0.000 1.375 40 H CA -1.164 54.923 56.048 0.065 0.000 1.132 40 H CB 1.157 30.882 29.762 -0.062 0.000 1.848 40 H HN 0.655 nan 8.280 nan 0.000 0.524 41 L N 1.471 122.989 121.223 0.490 0.000 2.409 41 L HA 0.640 4.980 4.340 -0.000 0.000 0.272 41 L C -0.558 176.507 176.870 0.325 0.000 0.980 41 L CA -0.555 54.567 54.840 0.469 0.000 0.826 41 L CB 1.889 44.231 42.059 0.473 0.000 1.268 41 L HN 0.581 nan 8.230 nan 0.000 0.407 42 R N 3.408 124.094 120.500 0.310 0.000 2.750 42 R HA 0.677 5.017 4.340 -0.000 0.000 0.281 42 R C -1.281 175.276 176.300 0.427 0.000 0.972 42 R CA -0.871 55.398 56.100 0.281 0.000 0.912 42 R CB 3.282 33.672 30.300 0.151 0.000 1.187 42 R HN 0.490 nan 8.270 nan 0.000 0.464 43 I N 2.669 123.489 120.570 0.415 0.000 2.465 43 I HA 0.253 4.423 4.170 -0.000 0.000 0.291 43 I C -0.886 175.333 176.117 0.171 0.000 1.014 43 I CA -1.245 60.251 61.300 0.327 0.000 1.093 43 I CB 1.564 39.704 38.000 0.233 0.000 1.267 43 I HN 0.457 nan 8.210 nan 0.000 0.431 44 L N 7.503 128.640 121.223 -0.143 0.000 2.461 44 L HA 0.229 4.569 4.340 -0.000 0.000 0.272 44 L C -0.087 176.622 176.870 -0.268 0.000 1.197 44 L CA 0.353 54.815 54.840 -0.629 0.000 0.836 44 L CB 0.159 41.732 42.059 -0.809 0.000 1.105 44 L HN 0.507 nan 8.230 nan 0.000 0.477 45 H N 3.674 122.537 119.070 -0.345 0.000 2.948 45 H HA 0.144 4.700 4.556 -0.000 0.000 0.351 45 H C -0.003 175.149 175.328 -0.293 0.000 1.079 45 H CA 0.220 56.151 56.048 -0.196 0.000 1.407 45 H CB 0.204 29.919 29.762 -0.077 0.000 1.373 45 H HN 0.465 nan 8.280 nan 0.000 0.605 46 R N 2.765 123.193 120.500 -0.119 0.000 2.502 46 R HA -0.054 4.286 4.340 -0.000 0.000 0.292 46 R C 0.898 177.163 176.300 -0.058 0.000 0.998 46 R CA 0.111 56.110 56.100 -0.169 0.000 1.056 46 R CB 0.088 30.320 30.300 -0.112 0.000 0.939 46 R HN 0.596 nan 8.270 nan 0.000 0.411 47 F N 1.842 121.804 119.950 0.020 0.000 2.065 47 F HA -0.317 4.210 4.527 -0.000 0.000 0.298 47 F C 2.358 178.224 175.800 0.110 0.000 1.112 47 F CA 1.631 59.674 58.000 0.071 0.000 1.212 47 F CB -0.217 38.747 39.000 -0.061 0.000 0.975 47 F HN 0.640 nan 8.300 nan 0.000 0.476 48 D N 0.088 120.630 120.400 0.236 0.000 2.309 48 D HA -0.186 4.454 4.640 -0.000 0.000 0.212 48 D C 1.579 177.898 176.300 0.032 0.000 0.968 48 D CA 0.985 55.048 54.000 0.105 0.000 0.882 48 D CB -0.675 40.159 40.800 0.055 0.000 0.918 48 D HN 0.462 nan 8.370 nan 0.000 0.503 49 Q N -0.270 119.541 119.800 0.018 0.000 2.398 49 Q HA 0.063 4.403 4.340 -0.000 0.000 0.204 49 Q C 2.120 178.111 176.000 -0.016 0.000 0.932 49 Q CA 0.178 55.964 55.803 -0.029 0.000 0.916 49 Q CB 0.364 29.060 28.738 -0.070 0.000 1.024 49 Q HN 0.259 nan 8.270 nan 0.000 0.504 50 R N -0.435 120.082 120.500 0.029 0.000 2.175 50 R HA 0.093 4.433 4.340 -0.000 0.000 0.202 50 R C 0.018 176.249 176.300 -0.115 0.000 1.018 50 R CA 0.430 56.492 56.100 -0.064 0.000 1.029 50 R CB 0.722 30.932 30.300 -0.150 0.000 0.959 50 R HN -0.086 nan 8.270 nan 0.000 0.480 51 S N -0.304 115.366 115.700 -0.050 0.000 2.592 51 S HA 0.250 4.720 4.470 -0.000 0.000 0.275 51 S C -0.346 174.235 174.600 -0.032 0.000 1.169 51 S CA -0.826 57.303 58.200 -0.119 0.000 0.958 51 S CB 1.599 64.596 63.200 -0.339 0.000 1.095 51 S HN 0.087 nan 8.310 nan 0.000 0.471 52 K N 2.780 123.165 120.400 -0.026 0.000 2.365 52 K HA 0.040 4.360 4.320 -0.000 0.000 0.199 52 K C 1.523 178.146 176.600 0.038 0.000 1.045 52 K CA 0.778 57.074 56.287 0.014 0.000 0.962 52 K CB -0.014 32.495 32.500 0.016 0.000 0.759 52 K HN 0.696 nan 8.250 nan 0.000 0.469 53 Q N 0.402 120.226 119.800 0.039 0.000 2.364 53 Q HA -0.039 4.301 4.340 -0.000 0.000 0.207 53 Q C 1.215 177.262 176.000 0.078 0.000 0.970 53 Q CA 0.823 56.691 55.803 0.108 0.000 0.888 53 Q CB -0.026 28.847 28.738 0.226 0.000 0.951 53 Q HN 0.416 nan 8.270 nan 0.000 0.469 54 I N -2.673 117.936 120.570 0.065 0.000 3.158 54 I HA 0.246 4.416 4.170 -0.000 0.000 0.344 54 I C 1.038 177.180 176.117 0.040 0.000 1.459 54 I CA -0.350 60.964 61.300 0.024 0.000 0.956 54 I CB 0.466 38.477 38.000 0.017 0.000 1.793 54 I HN -0.156 nan 8.210 nan 0.000 0.522 55 Q N 2.046 121.877 119.800 0.051 0.000 2.170 55 Q HA -0.130 4.210 4.340 -0.000 0.000 0.203 55 Q C 1.465 177.514 176.000 0.083 0.000 0.976 55 Q CA 1.886 57.730 55.803 0.069 0.000 0.858 55 Q CB -0.065 28.708 28.738 0.059 0.000 0.907 55 Q HN 0.556 nan 8.270 nan 0.000 0.433 56 N N -0.309 118.426 118.700 0.059 0.000 2.575 56 N HA -0.019 4.721 4.740 -0.000 0.000 0.192 56 N C 0.233 175.810 175.510 0.111 0.000 1.200 56 N CA 0.459 53.554 53.050 0.076 0.000 0.897 56 N CB 0.170 38.687 38.487 0.050 0.000 0.990 56 N HN 0.362 nan 8.380 nan 0.000 0.449 57 L N 0.373 121.650 121.223 0.090 0.000 2.640 57 L HA 0.079 4.419 4.340 -0.000 0.000 0.230 57 L C 1.864 178.941 176.870 0.345 0.000 1.123 57 L CA 0.058 54.971 54.840 0.123 0.000 0.900 57 L CB 0.089 41.965 42.059 -0.306 0.000 1.146 57 L HN 0.193 nan 8.230 nan 0.000 0.484 58 E N -0.193 120.171 120.200 0.273 0.000 2.267 58 E HA -0.240 4.110 4.350 -0.000 0.000 0.197 58 E C 0.888 177.682 176.600 0.323 0.000 0.998 58 E CA 1.369 57.949 56.400 0.301 0.000 0.830 58 E CB -0.293 29.573 29.700 0.277 0.000 0.751 58 E HN 0.579 nan 8.360 nan 0.000 0.491 59 N N -0.750 118.065 118.700 0.192 0.000 2.314 59 N HA 0.069 4.809 4.740 -0.000 0.000 0.200 59 N C -0.974 174.412 175.510 -0.207 0.000 1.135 59 N CA -0.174 52.853 53.050 -0.039 0.000 0.835 59 N CB 0.255 38.626 38.487 -0.195 0.000 0.989 59 N HN 0.119 nan 8.380 nan 0.000 0.478 60 Y N -0.022 120.380 120.300 0.171 0.000 2.485 60 Y HA 0.509 5.059 4.550 -0.000 0.000 0.345 60 Y C 0.188 176.252 175.900 0.274 0.000 0.998 60 Y CA -0.997 57.214 58.100 0.185 0.000 1.059 60 Y CB 1.317 39.860 38.460 0.139 0.000 1.234 60 Y HN -0.220 nan 8.280 nan 0.000 0.461 61 R N 0.922 121.657 120.500 0.393 0.000 2.808 61 R HA 0.774 5.114 4.340 -0.000 0.000 0.272 61 R C -1.828 174.643 176.300 0.286 0.000 0.995 61 R CA -1.141 55.130 56.100 0.286 0.000 0.917 61 R CB 2.375 32.890 30.300 0.357 0.000 1.217 61 R HN 0.482 nan 8.270 nan 0.000 0.471 62 V N 1.638 121.659 119.914 0.178 0.000 2.588 62 V HA 0.508 4.628 4.120 -0.000 0.000 0.304 62 V C -0.416 175.844 176.094 0.277 0.000 1.042 62 V CA -0.827 61.609 62.300 0.228 0.000 0.877 62 V CB 2.311 34.261 31.823 0.213 0.000 0.996 62 V HN 0.396 nan 8.190 nan 0.000 0.425 63 V N 3.761 123.869 119.914 0.324 0.000 2.680 63 V HA 0.520 4.640 4.120 -0.000 0.000 0.309 63 V C -0.333 175.971 176.094 0.351 0.000 1.052 63 V CA -0.666 61.848 62.300 0.356 0.000 0.908 63 V CB 2.151 34.163 31.823 0.315 0.000 1.001 63 V HN 0.915 nan 8.190 nan 0.000 0.431 64 E N 3.110 123.534 120.200 0.374 0.000 2.158 64 E HA 0.478 4.828 4.350 -0.000 0.000 0.271 64 E C -1.661 175.126 176.600 0.313 0.000 0.911 64 E CA -0.485 56.081 56.400 0.278 0.000 0.767 64 E CB 2.477 32.242 29.700 0.110 0.000 1.120 64 E HN 0.509 nan 8.360 nan 0.000 0.405 65 F N 3.332 123.348 119.950 0.110 0.000 2.507 65 F HA 0.447 4.974 4.527 -0.000 0.000 0.325 65 F C -0.925 174.870 175.800 -0.008 0.000 1.116 65 F CA -0.746 57.301 58.000 0.079 0.000 0.930 65 F CB 1.181 40.229 39.000 0.080 0.000 1.146 65 F HN 0.179 nan 8.300 nan 0.000 0.447 66 K N 4.447 124.236 120.400 -1.020 0.000 2.507 66 K HA 0.622 4.942 4.320 -0.000 0.000 0.251 66 K C -1.701 174.206 176.600 -1.156 0.000 0.943 66 K CA -0.504 55.212 56.287 -0.951 0.000 0.794 66 K CB 1.535 33.612 32.500 -0.705 0.000 1.188 66 K HN 0.769 nan 8.250 nan 0.000 0.428 67 S N 3.008 118.226 115.700 -0.803 0.000 2.541 67 S HA 0.482 4.952 4.470 -0.000 0.000 0.280 67 S C -0.670 173.829 174.600 -0.168 0.000 1.112 67 S CA -1.074 56.875 58.200 -0.418 0.000 0.925 67 S CB 1.429 64.518 63.200 -0.186 0.000 1.067 67 S HN 0.665 nan 8.310 nan 0.000 0.479 68 K N 0.584 120.946 120.400 -0.064 0.000 2.155 68 K HA 0.513 4.833 4.320 -0.000 0.000 0.237 68 K C -2.954 173.667 176.600 0.034 0.000 1.040 68 K CA -2.055 54.224 56.287 -0.013 0.000 0.912 68 K CB -0.893 31.613 32.500 0.010 0.000 1.137 68 K HN 0.242 nan 8.250 nan 0.000 0.498 69 P HA -0.088 nan 4.420 nan 0.000 0.265 69 P C -0.858 176.476 177.300 0.058 0.000 1.187 69 P CA 0.419 63.544 63.100 0.041 0.000 0.766 69 P CB 0.128 31.846 31.700 0.031 0.000 0.820 70 N N -1.343 117.385 118.700 0.047 0.000 2.721 70 N HA -0.139 4.601 4.740 -0.000 0.000 0.249 70 N C -0.059 175.466 175.510 0.025 0.000 1.072 70 N CA 1.401 54.472 53.050 0.036 0.000 0.710 70 N CB -1.876 36.628 38.487 0.028 0.000 0.993 70 N HN 0.569 nan 8.380 nan 0.000 0.547 71 T N -2.433 112.150 114.554 0.050 0.000 2.948 71 T HA 0.775 5.125 4.350 -0.000 0.000 0.285 71 T C -0.031 174.710 174.700 0.069 0.000 1.019 71 T CA -1.006 61.117 62.100 0.038 0.000 1.013 71 T CB 2.712 71.639 68.868 0.099 0.000 1.117 71 T HN 0.188 nan 8.240 nan 0.000 0.533 72 L N 1.148 122.402 121.223 0.051 0.000 2.455 72 L HA 0.725 5.065 4.340 -0.000 0.000 0.264 72 L C -1.771 175.153 176.870 0.090 0.000 0.968 72 L CA -1.077 53.810 54.840 0.079 0.000 0.827 72 L CB 2.016 44.078 42.059 0.005 0.000 1.317 72 L HN 0.801 nan 8.230 nan 0.000 0.407 73 L N 5.413 126.710 121.223 0.123 0.000 2.257 73 L HA 0.521 4.861 4.340 -0.000 0.000 0.290 73 L C -0.711 176.206 176.870 0.078 0.000 1.044 73 L CA -0.060 54.820 54.840 0.067 0.000 0.810 73 L CB 0.704 42.722 42.059 -0.067 0.000 1.193 73 L HN 0.653 nan 8.230 nan 0.000 0.425 74 L N 7.301 128.571 121.223 0.078 0.000 2.506 74 L HA 0.155 4.495 4.340 -0.000 0.000 0.281 74 L C -1.657 175.324 176.870 0.185 0.000 1.228 74 L CA -1.492 53.417 54.840 0.116 0.000 0.850 74 L CB -0.192 41.932 42.059 0.107 0.000 1.110 74 L HN 0.549 nan 8.230 nan 0.000 0.496 75 P HA -0.030 nan 4.420 nan 0.000 0.262 75 P C -0.995 176.373 177.300 0.113 0.000 1.182 75 P CA 0.702 63.913 63.100 0.186 0.000 0.761 75 P CB 0.332 32.136 31.700 0.174 0.000 0.795 76 H N 0.827 119.712 119.070 -0.308 0.000 2.917 76 H HA 0.473 5.029 4.556 -0.000 0.000 0.299 76 H C -1.148 174.093 175.328 -0.144 0.000 1.418 76 H CA -0.701 55.112 56.048 -0.391 0.000 1.138 76 H CB 1.133 30.055 29.762 -1.400 0.000 1.830 76 H HN 0.676 nan 8.280 nan 0.000 0.514 77 H N 0.298 119.243 119.070 -0.208 0.000 3.008 77 H HA 0.867 5.423 4.556 0.000 0.000 0.354 77 H C -1.705 173.686 175.328 0.105 0.000 1.252 77 H CA -0.548 55.448 56.048 -0.086 0.000 1.117 77 H CB 1.810 31.567 29.762 -0.009 0.000 1.857 77 H HN 0.946 nan 8.280 nan 0.000 0.547 78 A N 1.223 124.104 122.820 0.102 0.000 2.498 78 A HA 0.297 4.617 4.320 -0.000 0.000 0.298 78 A C -0.625 176.970 177.584 0.018 0.000 1.075 78 A CA -0.407 51.698 52.037 0.114 0.000 0.714 78 A CB 1.331 20.413 19.000 0.137 0.000 1.299 78 A HN 0.803 nan 8.150 nan 0.000 0.407 79 D N 0.683 121.154 120.400 0.118 0.000 3.032 79 D HA 0.446 5.086 4.640 -0.000 0.000 0.241 79 D C -0.020 176.220 176.300 -0.100 0.000 1.196 79 D CA 0.600 54.623 54.000 0.037 0.000 0.927 79 D CB -0.069 40.807 40.800 0.127 0.000 1.129 79 D HN 0.868 nan 8.370 nan 0.000 0.458 80 A N 0.496 123.092 122.820 -0.375 0.000 2.517 80 A HA 0.396 4.716 4.320 -0.000 0.000 0.297 80 A C -1.281 175.786 177.584 -0.863 0.000 1.050 80 A CA -0.971 50.699 52.037 -0.611 0.000 0.694 80 A CB 1.353 19.812 19.000 -0.901 0.000 1.277 80 A HN 0.050 nan 8.150 nan 0.000 0.400 81 D N 0.821 120.890 120.400 -0.551 0.000 2.390 81 D HA 0.566 5.206 4.640 -0.000 0.000 0.249 81 D C -0.899 175.140 176.300 -0.435 0.000 1.144 81 D CA 1.191 54.943 54.000 -0.413 0.000 0.880 81 D CB 0.205 40.877 40.800 -0.212 0.000 1.182 81 D HN 0.214 nan 8.370 nan 0.000 0.451 82 F N 1.869 121.720 119.950 -0.165 0.000 2.546 82 F HA 0.459 4.986 4.527 -0.000 0.000 0.320 82 F C -0.250 175.487 175.800 -0.104 0.000 1.076 82 F CA -1.164 56.741 58.000 -0.158 0.000 0.928 82 F CB 1.256 40.130 39.000 -0.209 0.000 1.189 82 F HN 0.073 nan 8.300 nan 0.000 0.465 83 L N 4.783 126.104 121.223 0.164 0.000 2.366 83 L HA 0.515 4.855 4.340 -0.000 0.000 0.266 83 L C -1.399 175.558 176.870 0.145 0.000 1.010 83 L CA -0.357 54.564 54.840 0.135 0.000 0.879 83 L CB 0.827 42.969 42.059 0.138 0.000 1.228 83 L HN 0.606 nan 8.230 nan 0.000 0.439 84 L N 5.491 126.749 121.223 0.059 0.000 2.290 84 L HA 0.681 5.021 4.340 -0.000 0.000 0.284 84 L C -1.114 175.751 176.870 -0.009 0.000 1.078 84 L CA -0.349 54.496 54.840 0.008 0.000 0.815 84 L CB 1.218 43.221 42.059 -0.092 0.000 1.162 84 L HN 0.411 nan 8.230 nan 0.000 0.435 85 V N 5.507 125.407 119.914 -0.023 0.000 2.540 85 V HA 0.304 4.424 4.120 -0.000 0.000 0.302 85 V C -0.219 175.754 176.094 -0.202 0.000 1.035 85 V CA -0.702 61.470 62.300 -0.214 0.000 0.873 85 V CB 2.010 33.485 31.823 -0.580 0.000 0.992 85 V HN 0.485 nan 8.190 nan 0.000 0.428 86 V N 6.350 126.157 119.914 -0.178 0.000 2.339 86 V HA 0.211 4.331 4.120 -0.000 0.000 0.261 86 V C 1.121 177.126 176.094 -0.149 0.000 1.058 86 V CA 0.095 62.335 62.300 -0.100 0.000 0.897 86 V CB 0.769 32.571 31.823 -0.034 0.000 1.052 86 V HN 0.756 nan 8.190 nan 0.000 0.480 87 L N 3.066 124.209 121.223 -0.134 0.000 2.044 87 L HA 0.080 4.420 4.340 -0.000 0.000 0.205 87 L C 1.163 178.000 176.870 -0.055 0.000 1.075 87 L CA 1.248 56.018 54.840 -0.117 0.000 0.747 87 L CB 0.089 42.108 42.059 -0.066 0.000 0.903 87 L HN 0.731 nan 8.230 nan 0.000 0.435 88 N N -0.827 117.853 118.700 -0.033 0.000 2.406 88 N HA 0.395 5.135 4.740 -0.000 0.000 0.283 88 N C -0.588 174.915 175.510 -0.012 0.000 1.074 88 N CA 0.764 53.804 53.050 -0.018 0.000 0.916 88 N CB 2.242 40.722 38.487 -0.012 0.000 1.639 88 N HN 0.260 nan 8.380 nan 0.000 0.485 89 G N 2.170 110.966 108.800 -0.006 0.000 2.342 89 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.220 89 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.220 89 G C -1.613 173.290 174.900 0.005 0.000 1.243 89 G CA -0.823 44.278 45.100 0.001 0.000 1.083 89 G HN 0.771 nan 8.290 nan 0.000 0.500 90 R N -0.553 119.953 120.500 0.011 0.000 2.808 90 R HA 0.822 5.162 4.340 -0.000 0.000 0.272 90 R C -0.560 175.754 176.300 0.023 0.000 0.995 90 R CA 0.058 56.161 56.100 0.005 0.000 0.917 90 R CB 1.915 32.218 30.300 0.004 0.000 1.217 90 R HN 2.091 nan 8.270 nan 0.000 0.471 91 A N 2.691 125.517 122.820 0.010 0.000 2.605 91 A HA 0.510 4.830 4.320 -0.000 0.000 0.294 91 A C -1.578 176.024 177.584 0.031 0.000 1.062 91 A CA -0.683 51.380 52.037 0.043 0.000 0.682 91 A CB 1.214 20.256 19.000 0.069 0.000 1.278 91 A HN 0.579 nan 8.150 nan 0.000 0.410 92 I N 1.819 122.426 120.570 0.062 0.000 2.355 92 I HA 0.393 4.563 4.170 -0.000 0.000 0.288 92 I C -0.881 175.268 176.117 0.054 0.000 0.999 92 I CA -0.653 60.680 61.300 0.055 0.000 1.163 92 I CB 1.537 39.582 38.000 0.076 0.000 1.316 92 I HN 0.554 nan 8.210 nan 0.000 0.454 93 L N 6.899 128.145 121.223 0.038 0.000 2.287 93 L HA 0.554 4.894 4.340 -0.000 0.000 0.287 93 L C -0.406 176.419 176.870 -0.075 0.000 1.022 93 L CA 0.427 55.280 54.840 0.021 0.000 0.814 93 L CB 1.525 43.622 42.059 0.062 0.000 1.217 93 L HN 0.470 nan 8.230 nan 0.000 0.420 94 T N 6.616 120.966 114.554 -0.341 0.000 2.791 94 T HA 0.492 4.842 4.350 -0.000 0.000 0.288 94 T C -0.223 174.256 174.700 -0.369 0.000 0.999 94 T CA -0.307 61.480 62.100 -0.523 0.000 0.952 94 T CB 0.685 68.875 68.868 -1.130 0.000 0.938 94 T HN 0.438 nan 8.240 nan 0.000 0.444 95 L N 3.688 124.837 121.223 -0.124 0.000 2.260 95 L HA 0.456 4.796 4.340 -0.000 0.000 0.289 95 L C -0.161 176.703 176.870 -0.010 0.000 1.057 95 L CA -0.956 53.882 54.840 -0.004 0.000 0.811 95 L CB 0.818 42.918 42.059 0.068 0.000 1.184 95 L HN 0.350 nan 8.230 nan 0.000 0.429 96 V N 3.503 123.440 119.914 0.037 0.000 2.348 96 V HA 0.220 4.340 4.120 -0.000 0.000 0.270 96 V C 0.156 176.283 176.094 0.055 0.000 1.037 96 V CA -0.565 61.776 62.300 0.069 0.000 0.872 96 V CB 0.809 32.720 31.823 0.147 0.000 1.002 96 V HN 0.746 nan 8.190 nan 0.000 0.464 97 N N 5.168 123.889 118.700 0.036 0.000 2.478 97 N HA 0.445 5.185 4.740 -0.000 0.000 0.275 97 N C -1.740 173.778 175.510 0.014 0.000 1.221 97 N CA -1.279 51.782 53.050 0.018 0.000 0.979 97 N CB 0.533 39.029 38.487 0.014 0.000 1.202 97 N HN 0.246 nan 8.380 nan 0.000 0.564 98 P HA -0.091 nan 4.420 nan 0.000 0.215 98 P C -0.428 176.874 177.300 0.003 0.000 1.153 98 P CA 1.370 64.467 63.100 -0.005 0.000 0.853 98 P CB 0.241 31.930 31.700 -0.018 0.000 0.788 99 D N -1.366 119.036 120.400 0.004 0.000 2.623 99 D HA 0.194 4.834 4.640 -0.000 0.000 0.252 99 D C 0.155 176.462 176.300 0.011 0.000 1.294 99 D CA 0.296 54.300 54.000 0.006 0.000 0.824 99 D CB 0.612 41.413 40.800 0.001 0.000 1.070 99 D HN 0.202 nan 8.370 nan 0.000 0.487 100 S N 0.067 115.777 115.700 0.017 0.000 2.683 100 S HA 0.520 4.990 4.470 -0.000 0.000 0.264 100 S C -1.315 173.298 174.600 0.021 0.000 1.066 100 S CA -1.172 57.039 58.200 0.018 0.000 0.846 100 S CB 2.141 65.348 63.200 0.011 0.000 1.114 100 S HN 0.230 nan 8.310 nan 0.000 0.476 101 R N 0.179 120.686 120.500 0.011 0.000 2.680 101 R HA 0.784 5.124 4.340 -0.000 0.000 0.269 101 R C -2.309 173.955 176.300 -0.059 0.000 1.026 101 R CA -0.819 55.279 56.100 -0.003 0.000 0.889 101 R CB 1.606 31.925 30.300 0.031 0.000 1.241 101 R HN 0.598 nan 8.270 nan 0.000 0.463 102 D N 1.438 121.764 120.400 -0.123 0.000 2.757 102 D HA 0.306 4.946 4.640 -0.000 0.000 0.249 102 D C -0.979 175.012 176.300 -0.515 0.000 1.168 102 D CA -0.509 53.301 54.000 -0.317 0.000 0.870 102 D CB 2.447 43.081 40.800 -0.276 0.000 1.411 102 D HN 0.448 nan 8.370 nan 0.000 0.525 103 S N 1.391 116.756 115.700 -0.559 0.000 2.475 103 S HA 0.581 5.051 4.470 -0.000 0.000 0.298 103 S C -1.016 173.218 174.600 -0.611 0.000 1.119 103 S CA -0.576 57.361 58.200 -0.438 0.000 1.085 103 S CB 0.789 63.887 63.200 -0.169 0.000 1.028 103 S HN 0.253 nan 8.310 nan 0.000 0.489 104 Y N 1.444 121.718 120.300 -0.043 0.000 2.442 104 Y HA 0.487 5.037 4.550 0.000 0.000 0.344 104 Y C -0.154 175.706 175.900 -0.066 0.000 0.976 104 Y CA -1.177 56.897 58.100 -0.044 0.000 1.040 104 Y CB 0.838 39.272 38.460 -0.045 0.000 1.228 104 Y HN 0.385 nan 8.280 nan 0.000 0.451 105 I N 4.647 125.254 120.570 0.063 0.000 2.352 105 I HA 0.168 4.338 4.170 -0.000 0.000 0.290 105 I C -0.716 175.292 176.117 -0.181 0.000 1.036 105 I CA -0.599 60.679 61.300 -0.037 0.000 1.336 105 I CB 0.615 38.589 38.000 -0.044 0.000 1.407 105 I HN 0.394 nan 8.210 nan 0.000 0.497 106 L N 7.201 128.309 121.223 -0.192 0.000 2.305 106 L HA 0.388 4.728 4.340 -0.000 0.000 0.284 106 L C 0.455 177.154 176.870 -0.285 0.000 1.013 106 L CA -0.323 54.307 54.840 -0.350 0.000 0.819 106 L CB 1.004 42.986 42.059 -0.128 0.000 1.227 106 L HN 0.446 nan 8.230 nan 0.000 0.417 107 E N 1.673 121.614 120.200 -0.432 0.000 2.250 107 E HA 0.215 4.565 4.350 -0.000 0.000 0.265 107 E C -0.498 176.199 176.600 0.161 0.000 1.033 107 E CA -0.867 55.522 56.400 -0.018 0.000 0.888 107 E CB 0.919 30.674 29.700 0.092 0.000 1.151 107 E HN 0.463 nan 8.360 nan 0.000 0.412 108 Q N -0.125 119.718 119.800 0.072 0.000 2.269 108 Q HA 0.122 4.462 4.340 -0.000 0.000 0.300 108 Q C 0.638 176.644 176.000 0.010 0.000 1.070 108 Q CA 1.337 57.154 55.803 0.022 0.000 0.957 108 Q CB -0.173 28.563 28.738 -0.004 0.000 1.131 108 Q HN 0.781 nan 8.270 nan 0.000 0.377 109 G N 2.770 111.537 108.800 -0.055 0.000 2.232 109 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.226 109 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.226 109 G C -0.390 174.402 174.900 -0.179 0.000 0.996 109 G CA 0.098 45.124 45.100 -0.124 0.000 0.626 109 G HN 0.788 nan 8.290 nan 0.000 0.509 110 H N 1.306 120.273 119.070 -0.172 0.000 2.790 110 H HA 0.610 5.166 4.556 -0.000 0.000 0.358 110 H C 0.643 175.783 175.328 -0.313 0.000 1.103 110 H CA 1.395 57.309 56.048 -0.222 0.000 1.426 110 H CB 1.329 30.996 29.762 -0.159 0.000 1.424 110 H HN 0.747 nan 8.280 nan 0.000 0.599 111 A N 2.417 124.976 122.820 -0.435 0.000 2.414 111 A HA 0.604 4.924 4.320 -0.000 0.000 0.306 111 A C -1.110 176.104 177.584 -0.617 0.000 1.054 111 A CA -0.681 51.035 52.037 -0.536 0.000 0.724 111 A CB 1.849 20.447 19.000 -0.670 0.000 1.267 111 A HN 0.585 nan 8.150 nan 0.000 0.418 112 Q N 0.962 120.606 119.800 -0.261 0.000 2.295 112 Q HA 0.402 4.742 4.340 -0.000 0.000 0.268 112 Q C -1.270 174.723 176.000 -0.012 0.000 1.010 112 Q CA -0.402 55.333 55.803 -0.114 0.000 0.856 112 Q CB 1.618 30.250 28.738 -0.176 0.000 1.349 112 Q HN 0.739 nan 8.270 nan 0.000 0.412 113 K N 4.366 124.811 120.400 0.075 0.000 2.234 113 K HA 0.447 4.767 4.320 -0.000 0.000 0.282 113 K C -0.840 175.738 176.600 -0.038 0.000 1.039 113 K CA -0.339 55.979 56.287 0.052 0.000 0.928 113 K CB 0.544 33.097 32.500 0.088 0.000 1.039 113 K HN 0.767 nan 8.250 nan 0.000 0.470 114 I N 7.367 127.898 120.570 -0.065 0.000 2.405 114 I HA 0.233 4.403 4.170 -0.000 0.000 0.280 114 I C -2.175 173.865 176.117 -0.129 0.000 1.027 114 I CA -2.709 58.503 61.300 -0.147 0.000 1.161 114 I CB 1.544 39.362 38.000 -0.302 0.000 1.300 114 I HN 0.470 nan 8.210 nan 0.000 0.463 115 P HA -0.035 nan 4.420 nan 0.000 0.266 115 P C -0.096 177.116 177.300 -0.147 0.000 1.193 115 P CA -0.062 62.973 63.100 -0.108 0.000 0.770 115 P CB 0.557 32.214 31.700 -0.071 0.000 0.836 116 A N 2.907 125.619 122.820 -0.180 0.000 2.531 116 A HA 0.406 4.726 4.320 -0.000 0.000 0.236 116 A C 1.605 179.127 177.584 -0.104 0.000 1.062 116 A CA 0.719 52.633 52.037 -0.205 0.000 0.760 116 A CB -1.319 17.560 19.000 -0.201 0.000 0.995 116 A HN 0.895 nan 8.150 nan 0.000 0.501 117 G N 1.427 110.203 108.800 -0.040 0.000 2.184 117 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.264 117 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.264 117 G C 0.416 175.307 174.900 -0.015 0.000 0.975 117 G CA 0.653 45.765 45.100 0.020 0.000 0.642 117 G HN 1.281 nan 8.290 nan 0.000 0.536 118 T N 2.281 116.849 114.554 0.023 0.000 2.761 118 T HA 0.480 4.830 4.350 -0.000 0.000 0.296 118 T C 0.611 175.423 174.700 0.187 0.000 0.934 118 T CA 0.522 62.651 62.100 0.048 0.000 1.091 118 T CB 1.291 70.166 68.868 0.013 0.000 0.896 118 T HN 0.212 nan 8.240 nan 0.000 0.515 119 T N 5.416 120.046 114.554 0.128 0.000 2.851 119 T HA 0.493 4.843 4.350 -0.000 0.000 0.298 119 T C -0.279 174.566 174.700 0.242 0.000 0.977 119 T CA -0.095 62.107 62.100 0.170 0.000 1.126 119 T CB -0.345 68.598 68.868 0.125 0.000 0.916 119 T HN 0.528 nan 8.240 nan 0.000 0.529 120 F N 1.860 121.783 119.950 -0.045 0.000 2.686 120 F HA 0.815 5.342 4.527 -0.000 0.000 0.311 120 F C -1.690 174.150 175.800 0.066 0.000 1.128 120 F CA -2.496 55.449 58.000 -0.092 0.000 0.946 120 F CB 1.049 39.965 39.000 -0.141 0.000 1.336 120 F HN 0.487 nan 8.300 nan 0.000 0.457 121 F N 1.019 121.010 119.950 0.070 0.000 2.613 121 F HA 0.882 5.409 4.527 -0.000 0.000 0.314 121 F C -2.115 173.753 175.800 0.113 0.000 1.075 121 F CA -1.566 56.429 58.000 -0.009 0.000 0.945 121 F CB 1.726 40.730 39.000 0.007 0.000 1.310 121 F HN 0.688 nan 8.300 nan 0.000 0.467 122 L N 2.584 123.973 121.223 0.277 0.000 2.385 122 L HA 0.848 5.188 4.340 -0.000 0.000 0.273 122 L C -1.559 175.448 176.870 0.229 0.000 0.990 122 L CA -0.676 54.284 54.840 0.200 0.000 0.821 122 L CB 2.061 44.172 42.059 0.087 0.000 1.279 122 L HN 0.665 nan 8.230 nan 0.000 0.412 123 V N 3.729 123.770 119.914 0.212 0.000 2.604 123 V HA 0.509 4.629 4.120 -0.000 0.000 0.305 123 V C -0.624 175.559 176.094 0.149 0.000 1.043 123 V CA -0.767 61.641 62.300 0.180 0.000 0.888 123 V CB 1.954 33.878 31.823 0.167 0.000 0.995 123 V HN 0.783 nan 8.190 nan 0.000 0.429 124 N N 6.136 124.918 118.700 0.137 0.000 2.589 124 N HA 0.358 5.098 4.740 -0.000 0.000 0.232 124 N C -1.509 174.044 175.510 0.071 0.000 1.015 124 N CA -2.203 50.910 53.050 0.105 0.000 0.931 124 N CB 1.684 40.232 38.487 0.103 0.000 1.150 124 N HN 0.328 nan 8.380 nan 0.000 0.512 125 P HA -0.006 nan 4.420 nan 0.000 0.245 125 P C -0.220 177.100 177.300 0.033 0.000 1.212 125 P CA 0.309 63.436 63.100 0.044 0.000 0.774 125 P CB 0.416 32.142 31.700 0.042 0.000 0.999 126 D N 0.589 121.008 120.400 0.031 0.000 2.341 126 D HA 0.008 4.648 4.640 -0.000 0.000 0.245 126 D C 0.448 176.762 176.300 0.022 0.000 1.106 126 D CA -0.089 53.925 54.000 0.023 0.000 0.905 126 D CB 1.142 41.953 40.800 0.018 0.000 1.202 126 D HN -0.184 nan 8.370 nan 0.000 0.426 127 D N 1.578 121.989 120.400 0.018 0.000 2.249 127 D HA -0.022 4.618 4.640 -0.000 0.000 0.205 127 D C 0.816 177.126 176.300 0.015 0.000 0.962 127 D CA 0.762 54.773 54.000 0.018 0.000 0.860 127 D CB 0.477 41.286 40.800 0.015 0.000 0.955 127 D HN 0.424 nan 8.370 nan 0.000 0.505 128 N N -0.381 118.325 118.700 0.011 0.000 2.486 128 N HA -0.013 4.727 4.740 -0.000 0.000 0.242 128 N C 0.116 175.627 175.510 0.002 0.000 1.083 128 N CA -0.037 53.017 53.050 0.006 0.000 0.844 128 N CB 1.042 39.531 38.487 0.005 0.000 1.527 128 N HN 0.001 nan 8.380 nan 0.000 0.462 129 E N 2.274 122.476 120.200 0.002 0.000 2.373 129 E HA 0.169 4.519 4.350 -0.000 0.000 0.267 129 E C -0.205 176.390 176.600 -0.008 0.000 1.032 129 E CA 0.152 56.550 56.400 -0.003 0.000 0.889 129 E CB 0.892 30.592 29.700 -0.000 0.000 0.984 129 E HN 0.221 nan 8.360 nan 0.000 0.425 130 N N 0.878 119.564 118.700 -0.023 0.000 2.463 130 N HA 0.254 4.994 4.740 -0.000 0.000 0.270 130 N C -0.614 174.871 175.510 -0.042 0.000 1.205 130 N CA -0.663 52.360 53.050 -0.045 0.000 0.974 130 N CB 0.679 39.121 38.487 -0.074 0.000 1.197 130 N HN 0.126 nan 8.380 nan 0.000 0.504 131 L N 1.305 122.490 121.223 -0.063 0.000 2.305 131 L HA 0.416 4.756 4.340 -0.000 0.000 0.284 131 L C -0.872 175.945 176.870 -0.089 0.000 1.013 131 L CA -0.310 54.515 54.840 -0.026 0.000 0.819 131 L CB 0.778 42.873 42.059 0.062 0.000 1.227 131 L HN 0.439 nan 8.230 nan 0.000 0.417 132 R N 6.113 126.590 120.500 -0.038 0.000 2.439 132 R HA 0.712 5.052 4.340 -0.000 0.000 0.310 132 R C -1.174 175.143 176.300 0.029 0.000 0.955 132 R CA -0.539 55.536 56.100 -0.042 0.000 0.853 132 R CB 1.763 32.039 30.300 -0.040 0.000 1.171 132 R HN 0.631 nan 8.270 nan 0.000 0.449 133 I N 3.389 124.020 120.570 0.101 0.000 2.689 133 I HA 0.494 4.664 4.170 -0.000 0.000 0.299 133 I C -0.697 175.507 176.117 0.145 0.000 1.059 133 I CA -1.006 60.372 61.300 0.130 0.000 1.055 133 I CB 2.515 40.661 38.000 0.242 0.000 1.243 133 I HN 0.489 nan 8.210 nan 0.000 0.425 134 I N 4.788 125.422 120.570 0.106 0.000 2.498 134 I HA 0.418 4.588 4.170 -0.000 0.000 0.290 134 I C -1.166 175.104 176.117 0.255 0.000 1.032 134 I CA -0.494 60.931 61.300 0.209 0.000 1.073 134 I CB 1.428 39.567 38.000 0.232 0.000 1.251 134 I HN 0.540 nan 8.210 nan 0.000 0.426 135 K N 6.785 127.333 120.400 0.245 0.000 2.345 135 K HA 0.448 4.768 4.320 -0.000 0.000 0.255 135 K C -1.384 175.293 176.600 0.128 0.000 0.934 135 K CA -0.817 55.558 56.287 0.146 0.000 0.801 135 K CB 2.483 34.927 32.500 -0.095 0.000 1.137 135 K HN 0.391 nan 8.250 nan 0.000 0.424 136 L N 2.833 124.018 121.223 -0.064 0.000 2.265 136 L HA 0.480 4.820 4.340 -0.000 0.000 0.288 136 L C -0.913 176.020 176.870 0.105 0.000 1.058 136 L CA 0.136 54.843 54.840 -0.222 0.000 0.809 136 L CB 1.033 42.593 42.059 -0.831 0.000 1.179 136 L HN 0.741 nan 8.230 nan 0.000 0.429 137 A N 5.653 128.604 122.820 0.219 0.000 2.342 137 A HA 0.802 5.122 4.320 -0.000 0.000 0.323 137 A C -0.989 176.633 177.584 0.062 0.000 1.125 137 A CA -0.462 51.699 52.037 0.207 0.000 0.785 137 A CB 0.813 20.005 19.000 0.321 0.000 1.221 137 A HN 0.575 nan 8.150 nan 0.000 0.463 138 I N 3.294 123.790 120.570 -0.123 0.000 2.502 138 I HA 0.310 4.480 4.170 -0.000 0.000 0.276 138 I C -2.484 173.522 176.117 -0.186 0.000 1.057 138 I CA -1.801 59.375 61.300 -0.205 0.000 1.163 138 I CB 1.409 39.253 38.000 -0.260 0.000 1.288 138 I HN 0.314 nan 8.210 nan 0.000 0.479 139 P HA 0.039 nan 4.420 nan 0.000 0.265 139 P C 0.830 178.086 177.300 -0.072 0.000 1.187 139 P CA 0.145 63.237 63.100 -0.013 0.000 0.766 139 P CB 1.072 32.828 31.700 0.095 0.000 0.820 140 V N 2.662 122.544 119.914 -0.054 0.000 2.403 140 V HA -0.075 4.045 4.120 -0.000 0.000 0.239 140 V C 1.876 177.947 176.094 -0.039 0.000 1.041 140 V CA 1.418 63.682 62.300 -0.061 0.000 1.051 140 V CB -0.694 31.092 31.823 -0.062 0.000 0.704 140 V HN 0.516 nan 8.190 nan 0.000 0.472 141 N N 0.606 119.302 118.700 -0.007 0.000 2.135 141 N HA -0.036 4.704 4.740 -0.000 0.000 0.186 141 N C 0.822 176.319 175.510 -0.022 0.000 1.027 141 N CA 0.846 53.894 53.050 -0.004 0.000 0.849 141 N CB -0.073 38.431 38.487 0.029 0.000 1.002 141 N HN 0.384 nan 8.380 nan 0.000 0.425 142 N N 0.589 119.277 118.700 -0.019 0.000 2.314 142 N HA 0.163 4.903 4.740 -0.000 0.000 0.294 142 N C -2.108 173.342 175.510 -0.099 0.000 1.029 142 N CA -1.737 51.277 53.050 -0.060 0.000 0.845 142 N CB 2.693 41.165 38.487 -0.026 0.000 1.321 142 N HN -0.144 nan 8.380 nan 0.000 0.481 143 P HA -0.109 nan 4.420 nan 0.000 0.219 143 P C 0.394 177.580 177.300 -0.189 0.000 1.146 143 P CA 1.340 64.277 63.100 -0.271 0.000 0.808 143 P CB 0.298 31.753 31.700 -0.410 0.000 0.779 144 H N -0.360 118.721 119.070 0.018 0.000 2.592 144 H HA 0.230 4.786 4.556 0.000 0.000 0.265 144 H C 1.226 176.569 175.328 0.024 0.000 0.955 144 H CA 0.382 56.443 56.048 0.023 0.000 1.175 144 H CB 0.487 30.251 29.762 0.003 0.000 1.433 144 H HN 0.347 nan 8.280 nan 0.000 0.537 145 R N -0.412 120.161 120.500 0.121 0.000 2.712 145 R HA 0.412 4.752 4.340 -0.000 0.000 0.272 145 R C -1.530 174.832 176.300 0.104 0.000 1.032 145 R CA -0.894 55.236 56.100 0.049 0.000 0.874 145 R CB 1.375 31.647 30.300 -0.047 0.000 1.256 145 R HN -0.032 nan 8.270 nan 0.000 0.468 146 F N -1.231 118.755 119.950 0.061 0.000 2.640 146 F HA 0.670 5.197 4.527 -0.000 0.000 0.324 146 F C -0.944 174.893 175.800 0.062 0.000 1.077 146 F CA -1.368 56.666 58.000 0.055 0.000 0.965 146 F CB 1.829 40.859 39.000 0.051 0.000 1.351 146 F HN 0.476 nan 8.300 nan 0.000 0.487 147 Q N 0.914 120.893 119.800 0.298 0.000 2.312 147 Q HA 0.332 4.672 4.340 -0.000 0.000 0.263 147 Q C -1.755 174.376 176.000 0.219 0.000 0.995 147 Q CA -0.501 55.349 55.803 0.078 0.000 0.853 147 Q CB 1.565 30.239 28.738 -0.106 0.000 1.300 147 Q HN 0.582 nan 8.270 nan 0.000 0.448 148 D N 3.044 123.513 120.400 0.115 0.000 2.373 148 D HA 0.204 4.844 4.640 -0.000 0.000 0.227 148 D C -1.095 175.209 176.300 0.007 0.000 1.091 148 D CA -0.098 54.045 54.000 0.238 0.000 0.840 148 D CB 0.432 41.489 40.800 0.429 0.000 1.060 148 D HN 0.420 nan 8.370 nan 0.000 0.502 149 F N 3.239 123.138 119.950 -0.085 0.000 2.334 149 F HA 0.299 4.826 4.527 -0.000 0.000 0.367 149 F C 0.251 176.134 175.800 0.137 0.000 1.115 149 F CA -0.694 57.275 58.000 -0.051 0.000 1.116 149 F CB 0.428 39.087 39.000 -0.568 0.000 1.230 149 F HN 0.173 nan 8.300 nan 0.000 0.484 150 F N 4.084 124.274 119.950 0.400 0.000 2.411 150 F HA 0.232 4.759 4.527 -0.000 0.000 0.355 150 F C 1.196 177.111 175.800 0.192 0.000 1.117 150 F CA -0.285 57.886 58.000 0.286 0.000 1.139 150 F CB 1.169 40.201 39.000 0.055 0.000 1.120 150 F HN 0.459 nan 8.300 nan 0.000 0.493 151 L N 2.151 123.492 121.223 0.197 0.000 2.109 151 L HA -0.068 4.272 4.340 -0.000 0.000 0.207 151 L C 1.466 178.271 176.870 -0.107 0.000 1.086 151 L CA 0.538 55.219 54.840 -0.266 0.000 0.760 151 L CB -0.200 41.833 42.059 -0.043 0.000 0.910 151 L HN 0.727 nan 8.230 nan 0.000 0.437 152 S N -0.977 114.758 115.700 0.059 0.000 2.580 152 S HA -0.028 4.442 4.470 -0.000 0.000 0.261 152 S C 0.192 174.808 174.600 0.025 0.000 1.366 152 S CA -0.279 57.940 58.200 0.031 0.000 0.996 152 S CB 1.156 64.389 63.200 0.054 0.000 0.902 152 S HN 0.246 nan 8.310 nan 0.000 0.566 153 S N 0.971 116.674 115.700 0.004 0.000 2.707 153 S HA 0.643 5.113 4.470 -0.000 0.000 0.312 153 S C -0.356 174.241 174.600 -0.005 0.000 1.116 153 S CA -0.257 57.962 58.200 0.032 0.000 1.078 153 S CB 0.227 63.475 63.200 0.080 0.000 0.997 153 S HN 1.167 nan 8.310 nan 0.000 0.477 154 T N 1.302 115.843 114.554 -0.021 0.000 2.831 154 T HA 0.511 4.861 4.350 -0.000 0.000 0.287 154 T C 0.626 175.318 174.700 -0.013 0.000 1.070 154 T CA -0.745 61.335 62.100 -0.034 0.000 1.010 154 T CB 0.977 69.795 68.868 -0.083 0.000 1.264 154 T HN 0.426 nan 8.240 nan 0.000 0.532 155 E N -0.143 120.057 120.200 0.000 0.000 2.338 155 E HA 0.047 4.397 4.350 -0.000 0.000 0.197 155 E C 1.971 178.583 176.600 0.019 0.000 1.007 155 E CA 0.842 57.251 56.400 0.015 0.000 0.849 155 E CB -0.159 29.557 29.700 0.026 0.000 0.774 155 E HN 0.688 nan 8.360 nan 0.000 0.506 156 A N 0.794 123.622 122.820 0.014 0.000 2.095 156 A HA -0.006 4.314 4.320 -0.000 0.000 0.212 156 A C 0.629 178.200 177.584 -0.021 0.000 1.162 156 A CA 0.294 52.349 52.037 0.029 0.000 0.753 156 A CB 0.221 19.285 19.000 0.108 0.000 0.840 156 A HN 0.180 nan 8.150 nan 0.000 0.468 157 Q N -0.879 118.888 119.800 -0.056 0.000 2.353 157 Q HA 0.544 4.884 4.340 -0.000 0.000 0.275 157 Q C -1.326 174.672 176.000 -0.004 0.000 1.029 157 Q CA -0.620 55.156 55.803 -0.045 0.000 0.848 157 Q CB 0.565 29.237 28.738 -0.111 0.000 1.390 157 Q HN 0.317 nan 8.270 nan 0.000 0.401 158 Q N 0.829 120.644 119.800 0.024 0.000 2.299 158 Q HA 0.459 4.799 4.340 -0.000 0.000 0.246 158 Q C -0.323 175.736 176.000 0.098 0.000 0.935 158 Q CA -0.609 55.223 55.803 0.049 0.000 0.887 158 Q CB 1.482 30.227 28.738 0.011 0.000 1.223 158 Q HN 0.738 nan 8.270 nan 0.000 0.439 159 S N 0.820 116.602 115.700 0.138 0.000 2.562 159 S HA -0.028 4.442 4.470 -0.000 0.000 0.281 159 S C 0.661 175.351 174.600 0.150 0.000 1.333 159 S CA -0.345 57.918 58.200 0.104 0.000 1.052 159 S CB 0.265 63.559 63.200 0.157 0.000 0.884 159 S HN 0.613 nan 8.310 nan 0.000 0.506 160 Y N 3.671 124.138 120.300 0.279 0.000 2.574 160 Y HA 0.101 4.651 4.550 -0.000 0.000 0.294 160 Y C 1.373 177.408 175.900 0.226 0.000 1.142 160 Y CA 0.498 58.748 58.100 0.250 0.000 1.314 160 Y CB -0.871 37.810 38.460 0.370 0.000 0.991 160 Y HN 0.544 nan 8.280 nan 0.000 0.555 161 L N -0.025 121.416 121.223 0.363 0.000 2.201 161 L HA -0.107 4.232 4.340 -0.000 0.000 0.212 161 L C 2.529 179.715 176.870 0.526 0.000 1.105 161 L CA 1.125 56.318 54.840 0.589 0.000 0.775 161 L CB -0.397 41.996 42.059 0.556 0.000 0.913 161 L HN 0.113 nan 8.230 nan 0.000 0.440 162 R N 0.934 121.607 120.500 0.287 0.000 2.293 162 R HA -0.097 4.243 4.340 -0.000 0.000 0.219 162 R C 1.963 178.237 176.300 -0.044 0.000 1.091 162 R CA 0.985 56.991 56.100 -0.156 0.000 1.004 162 R CB -0.745 29.343 30.300 -0.354 0.000 0.865 162 R HN 0.307 nan 8.270 nan 0.000 0.469 163 G N -1.514 107.271 108.800 -0.024 0.000 2.572 163 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.216 163 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.216 163 G C 0.184 174.953 174.900 -0.218 0.000 1.133 163 G CA -0.131 44.868 45.100 -0.167 0.000 0.791 163 G HN 0.194 nan 8.290 nan 0.000 0.538 164 F N 1.346 121.399 119.950 0.171 0.000 2.370 164 F HA 0.415 4.942 4.527 0.000 0.000 0.324 164 F C 1.276 177.162 175.800 0.144 0.000 1.116 164 F CA -0.841 57.254 58.000 0.159 0.000 1.123 164 F CB 1.271 40.390 39.000 0.198 0.000 1.238 164 F HN -0.012 nan 8.300 nan 0.000 0.536 165 S N 1.014 116.906 115.700 0.320 0.000 2.614 165 S HA 0.224 4.694 4.470 -0.000 0.000 0.265 165 S C 0.907 175.627 174.600 0.200 0.000 1.303 165 S CA -0.829 57.479 58.200 0.180 0.000 1.000 165 S CB 1.166 64.434 63.200 0.113 0.000 0.935 165 S HN 0.693 nan 8.310 nan 0.000 0.551 166 K N 1.512 121.952 120.400 0.066 0.000 2.020 166 K HA -0.215 4.105 4.320 -0.000 0.000 0.212 166 K C 2.023 178.717 176.600 0.157 0.000 1.050 166 K CA 2.216 58.532 56.287 0.048 0.000 0.929 166 K CB -0.680 31.655 32.500 -0.275 0.000 0.714 166 K HN 0.686 nan 8.250 nan 0.000 0.443 167 N N 0.537 119.290 118.700 0.089 0.000 2.069 167 N HA -0.151 4.589 4.740 -0.000 0.000 0.191 167 N C 1.864 177.437 175.510 0.105 0.000 1.031 167 N CA 0.928 54.031 53.050 0.088 0.000 0.852 167 N CB -0.054 38.465 38.487 0.053 0.000 1.018 167 N HN 0.058 nan 8.380 nan 0.000 0.423 168 I N 1.420 122.059 120.570 0.116 0.000 2.179 168 I HA -0.214 3.956 4.170 -0.000 0.000 0.242 168 I C 2.205 178.378 176.117 0.094 0.000 1.088 168 I CA 1.211 62.557 61.300 0.076 0.000 1.357 168 I CB -1.158 36.895 38.000 0.088 0.000 1.051 168 I HN 0.223 nan 8.210 nan 0.000 0.409 169 L N 0.336 121.700 121.223 0.236 0.000 2.017 169 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 169 L C 2.576 179.650 176.870 0.339 0.000 1.073 169 L CA 1.441 56.497 54.840 0.361 0.000 0.745 169 L CB -0.565 41.823 42.059 0.550 0.000 0.894 169 L HN 0.287 nan 8.230 nan 0.000 0.432 170 E N 0.077 120.446 120.200 0.282 0.000 2.051 170 E HA -0.237 4.113 4.350 -0.000 0.000 0.192 170 E C 2.272 178.958 176.600 0.142 0.000 0.991 170 E CA 1.268 57.801 56.400 0.222 0.000 0.799 170 E CB -0.187 29.627 29.700 0.190 0.000 0.748 170 E HN 0.517 nan 8.360 nan 0.000 0.449 171 A N 1.029 123.902 122.820 0.088 0.000 1.898 171 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 171 A C 2.362 179.932 177.584 -0.024 0.000 1.181 171 A CA 1.446 53.501 52.037 0.029 0.000 0.620 171 A CB -0.360 18.644 19.000 0.008 0.000 0.819 171 A HN 0.102 nan 8.150 nan 0.000 0.442 172 S N -0.671 114.983 115.700 -0.077 0.000 2.348 172 S HA -0.105 4.365 4.470 -0.000 0.000 0.221 172 S C 1.432 175.838 174.600 -0.323 0.000 1.033 172 S CA 1.618 59.659 58.200 -0.265 0.000 1.010 172 S CB -0.475 62.461 63.200 -0.440 0.000 0.891 172 S HN 0.554 nan 8.310 nan 0.000 0.442 173 F N 1.042 120.986 119.950 -0.010 0.000 2.743 173 F HA 0.215 4.742 4.527 -0.000 0.000 0.297 173 F C 0.776 176.569 175.800 -0.012 0.000 1.131 173 F CA 0.076 58.065 58.000 -0.017 0.000 1.426 173 F CB -0.208 38.776 39.000 -0.027 0.000 1.116 173 F HN 0.039 nan 8.300 nan 0.000 0.583 174 D N 0.906 121.387 120.400 0.135 0.000 2.705 174 D HA -0.194 4.446 4.640 -0.000 0.000 0.240 174 D C -0.796 175.560 176.300 0.094 0.000 1.137 174 D CA 0.506 54.558 54.000 0.086 0.000 0.677 174 D CB -0.981 39.849 40.800 0.050 0.000 1.049 174 D HN 0.189 nan 8.370 nan 0.000 0.427 175 S N 0.104 115.872 115.700 0.115 0.000 2.570 175 S HA 0.381 4.851 4.470 -0.000 0.000 0.270 175 S C -0.954 173.702 174.600 0.093 0.000 1.149 175 S CA -0.776 57.470 58.200 0.078 0.000 0.837 175 S CB 1.733 64.959 63.200 0.044 0.000 1.124 175 S HN 0.302 nan 8.310 nan 0.000 0.465 176 D N 0.561 121.004 120.400 0.072 0.000 2.399 176 D HA 0.049 4.689 4.640 -0.000 0.000 0.241 176 D C 0.924 177.303 176.300 0.132 0.000 1.133 176 D CA -0.432 53.634 54.000 0.109 0.000 0.890 176 D CB 0.506 41.356 40.800 0.084 0.000 1.201 176 D HN 0.400 nan 8.370 nan 0.000 0.432 177 F N 1.728 121.715 119.950 0.063 0.000 2.091 177 F HA -0.264 4.263 4.527 -0.000 0.000 0.299 177 F C 2.063 177.900 175.800 0.061 0.000 1.103 177 F CA 1.748 59.798 58.000 0.083 0.000 1.228 177 F CB -0.012 39.046 39.000 0.097 0.000 0.984 177 F HN 0.203 nan 8.300 nan 0.000 0.477 178 K N 0.689 121.159 120.400 0.117 0.000 2.077 178 K HA -0.292 4.028 4.320 -0.000 0.000 0.213 178 K C 2.071 178.598 176.600 -0.121 0.000 1.051 178 K CA 2.077 58.371 56.287 0.012 0.000 0.929 178 K CB -0.797 31.746 32.500 0.073 0.000 0.715 178 K HN 0.560 nan 8.250 nan 0.000 0.451 179 E N 0.163 120.298 120.200 -0.109 0.000 2.072 179 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 179 E C 1.969 178.412 176.600 -0.262 0.000 0.985 179 E CA 1.026 57.339 56.400 -0.145 0.000 0.801 179 E CB -0.052 29.587 29.700 -0.101 0.000 0.750 179 E HN 0.272 nan 8.360 nan 0.000 0.452 180 I N 1.363 121.733 120.570 -0.334 0.000 2.127 180 I HA -0.306 3.864 4.170 -0.000 0.000 0.241 180 I C 2.583 178.323 176.117 -0.628 0.000 1.075 180 I CA 1.540 62.534 61.300 -0.511 0.000 1.334 180 I CB -0.537 37.206 38.000 -0.430 0.000 1.040 180 I HN 0.248 nan 8.210 nan 0.000 0.405 181 N N 0.411 118.722 118.700 -0.648 0.000 2.364 181 N HA -0.218 4.522 4.740 -0.000 0.000 0.183 181 N C 2.105 177.501 175.510 -0.190 0.000 1.022 181 N CA 0.591 53.427 53.050 -0.355 0.000 0.883 181 N CB 0.123 38.301 38.487 -0.515 0.000 0.965 181 N HN 0.245 nan 8.380 nan 0.000 0.438 182 R N 0.173 120.534 120.500 -0.232 0.000 2.075 182 R HA 0.020 4.360 4.340 -0.000 0.000 0.220 182 R C 1.786 177.974 176.300 -0.187 0.000 1.118 182 R CA 0.731 56.740 56.100 -0.152 0.000 0.986 182 R CB -0.045 30.184 30.300 -0.120 0.000 0.884 182 R HN 0.082 nan 8.270 nan 0.000 0.439 183 V N 1.265 121.022 119.914 -0.261 0.000 2.719 183 V HA -0.116 4.004 4.120 -0.000 0.000 0.252 183 V C 2.028 177.924 176.094 -0.329 0.000 1.065 183 V CA 1.258 63.399 62.300 -0.266 0.000 1.086 183 V CB -0.048 31.609 31.823 -0.277 0.000 0.700 183 V HN 0.299 nan 8.190 nan 0.000 0.467 184 L N -2.826 118.094 121.223 -0.505 0.000 2.577 184 L HA 0.232 4.572 4.340 -0.000 0.000 0.225 184 L C 2.001 178.578 176.870 -0.487 0.000 1.053 184 L CA 0.485 54.959 54.840 -0.610 0.000 0.866 184 L CB -0.096 41.381 42.059 -0.970 0.000 1.132 184 L HN 0.228 nan 8.230 nan 0.000 0.486 185 F N 0.392 120.257 119.950 -0.142 0.000 2.390 185 F HA 0.343 4.870 4.527 -0.000 0.000 0.281 185 F C 1.881 177.637 175.800 -0.072 0.000 1.016 185 F CA 0.258 58.205 58.000 -0.090 0.000 1.286 185 F CB -1.280 37.675 39.000 -0.075 0.000 1.134 185 F HN 0.035 nan 8.300 nan 0.000 0.597 186 G N 2.040 110.902 108.800 0.103 0.000 2.395 186 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.300 186 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.300 186 G C 0.426 175.361 174.900 0.059 0.000 0.998 186 G CA 0.612 45.737 45.100 0.042 0.000 1.046 186 G HN 0.363 nan 8.290 nan 0.000 0.513 197 S N -0.656 115.030 115.700 -0.024 0.000 2.798 197 S HA 0.743 5.213 4.470 -0.000 0.000 0.312 197 S C 0.149 174.734 174.600 -0.024 0.000 1.122 197 S CA -1.131 57.058 58.200 -0.020 0.000 0.949 197 S CB 1.074 64.269 63.200 -0.009 0.000 1.235 197 S HN 0.347 nan 8.310 nan 0.000 0.552 198 R N 0.328 120.818 120.500 -0.016 0.000 2.490 198 R HA 0.461 4.801 4.340 -0.000 0.000 0.278 198 R C -0.371 175.918 176.300 -0.017 0.000 1.069 198 R CA -0.714 55.374 56.100 -0.020 0.000 1.080 198 R CB 0.250 30.546 30.300 -0.007 0.000 1.030 198 R HN 0.533 nan 8.270 nan 0.000 0.491 199 E N 1.459 121.642 120.200 -0.029 0.000 2.435 199 E HA -0.121 4.229 4.350 -0.000 0.000 0.256 199 E C 0.514 177.113 176.600 -0.002 0.000 1.245 199 E CA 0.150 56.535 56.400 -0.025 0.000 0.989 199 E CB 0.549 30.218 29.700 -0.050 0.000 0.983 199 E HN 0.770 nan 8.360 nan 0.000 0.480 200 E N -0.300 119.916 120.200 0.027 0.000 2.086 200 E HA 0.001 4.351 4.350 -0.000 0.000 0.190 200 E C 0.571 177.223 176.600 0.086 0.000 0.975 200 E CA 0.693 57.131 56.400 0.064 0.000 0.813 200 E CB 0.298 30.060 29.700 0.103 0.000 0.768 200 E HN 0.487 nan 8.360 nan 0.000 0.457 201 G N -0.772 108.079 108.800 0.084 0.000 2.788 201 G HA2 0.272 4.232 3.960 -0.000 0.000 0.293 201 G HA3 0.272 4.232 3.960 -0.000 0.000 0.293 201 G C 0.374 175.126 174.900 -0.246 0.000 1.392 201 G CA -0.009 45.116 45.100 0.042 0.000 0.810 201 G HN 0.103 nan 8.290 nan 0.000 0.508 202 V N -1.927 117.526 119.914 -0.768 0.000 3.305 202 V HA 0.357 4.477 4.120 -0.000 0.000 0.269 202 V C 0.745 176.635 176.094 -0.341 0.000 1.157 202 V CA 0.685 62.535 62.300 -0.748 0.000 1.157 202 V CB -1.091 29.862 31.823 -1.449 0.000 0.772 202 V HN 0.371 nan 8.190 nan 0.000 0.498 203 I N 2.108 122.604 120.570 -0.124 0.000 2.389 203 I HA 0.599 4.769 4.170 -0.000 0.000 0.288 203 I C -0.493 175.634 176.117 0.017 0.000 0.999 203 I CA -0.819 60.535 61.300 0.090 0.000 1.129 203 I CB 1.876 40.076 38.000 0.333 0.000 1.288 203 I HN 0.139 nan 8.210 nan 0.000 0.444 204 V N 2.147 121.991 119.914 -0.118 0.000 3.074 204 V HA 0.606 4.726 4.120 -0.000 0.000 0.314 204 V C -0.658 175.168 176.094 -0.447 0.000 1.117 204 V CA -0.771 61.323 62.300 -0.343 0.000 1.014 204 V CB 2.039 33.729 31.823 -0.221 0.000 1.057 204 V HN 0.818 nan 8.190 nan 0.000 0.438 205 E N 1.491 121.282 120.200 -0.682 0.000 2.175 205 E HA 0.629 4.979 4.350 -0.000 0.000 0.278 205 E C -1.386 175.089 176.600 -0.210 0.000 0.969 205 E CA -0.716 55.428 56.400 -0.427 0.000 0.796 205 E CB 1.578 31.007 29.700 -0.452 0.000 1.104 205 E HN 0.754 nan 8.360 nan 0.000 0.395 206 L N 3.720 124.876 121.223 -0.113 0.000 2.331 206 L HA 0.450 4.790 4.340 -0.000 0.000 0.275 206 L C 0.234 177.079 176.870 -0.042 0.000 1.022 206 L CA -1.268 53.527 54.840 -0.076 0.000 0.812 206 L CB 1.463 43.486 42.059 -0.061 0.000 1.257 206 L HN 0.427 nan 8.230 nan 0.000 0.435 207 K N 1.647 122.026 120.400 -0.036 0.000 2.295 207 K HA 0.151 4.471 4.320 -0.000 0.000 0.270 207 K C 0.961 177.555 176.600 -0.010 0.000 1.011 207 K CA -0.453 55.823 56.287 -0.018 0.000 0.953 207 K CB 0.832 33.321 32.500 -0.018 0.000 0.956 207 K HN 0.456 nan 8.250 nan 0.000 0.477 208 R N 2.313 122.813 120.500 -0.000 0.000 2.119 208 R HA -0.196 4.144 4.340 -0.000 0.000 0.246 208 R C 1.739 178.042 176.300 0.004 0.000 1.146 208 R CA 1.674 57.777 56.100 0.005 0.000 0.962 208 R CB -0.328 29.977 30.300 0.009 0.000 0.863 208 R HN 0.625 nan 8.270 nan 0.000 0.442 209 E N 0.753 120.953 120.200 0.001 0.000 2.070 209 E HA -0.216 4.134 4.350 -0.000 0.000 0.197 209 E C 2.164 178.763 176.600 -0.002 0.000 1.004 209 E CA 1.562 57.962 56.400 0.001 0.000 0.805 209 E CB -0.229 29.469 29.700 -0.003 0.000 0.744 209 E HN 0.453 nan 8.360 nan 0.000 0.451 210 Q N -0.256 119.536 119.800 -0.014 0.000 2.020 210 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 210 Q C 2.236 178.225 176.000 -0.018 0.000 0.982 210 Q CA 1.303 57.089 55.803 -0.028 0.000 0.838 210 Q CB -0.264 28.447 28.738 -0.045 0.000 0.899 210 Q HN 0.217 nan 8.270 nan 0.000 0.423 211 I N 0.974 121.540 120.570 -0.006 0.000 2.113 211 I HA -0.343 3.827 4.170 -0.000 0.000 0.242 211 I C 2.341 178.472 176.117 0.024 0.000 1.064 211 I CA 1.642 62.949 61.300 0.011 0.000 1.320 211 I CB -0.542 37.469 38.000 0.018 0.000 1.028 211 I HN 0.145 nan 8.210 nan 0.000 0.406 212 Q N -0.089 119.726 119.800 0.026 0.000 2.096 212 Q HA -0.279 4.061 4.340 -0.000 0.000 0.208 212 Q C 2.053 178.093 176.000 0.066 0.000 0.993 212 Q CA 2.032 57.860 55.803 0.041 0.000 0.862 212 Q CB -0.349 28.409 28.738 0.033 0.000 0.915 212 Q HN 0.528 nan 8.270 nan 0.000 0.416 213 E N 0.467 120.695 120.200 0.048 0.000 2.002 213 E HA -0.208 4.142 4.350 -0.000 0.000 0.213 213 E C 1.580 178.202 176.600 0.036 0.000 1.024 213 E CA 1.886 58.322 56.400 0.061 0.000 0.876 213 E CB -0.573 29.114 29.700 -0.021 0.000 0.799 213 E HN 0.442 nan 8.360 nan 0.000 0.497 214 L N -1.028 120.122 121.223 -0.122 0.000 2.642 214 L HA -0.004 4.336 4.340 -0.000 0.000 0.236 214 L C 2.246 179.146 176.870 0.051 0.000 1.169 214 L CA 0.673 55.415 54.840 -0.163 0.000 0.851 214 L CB -0.473 41.537 42.059 -0.081 0.000 0.968 214 L HN 0.214 nan 8.230 nan 0.000 0.453 215 M N 1.242 120.899 119.600 0.093 0.000 2.216 215 M HA -0.072 4.408 4.480 -0.000 0.000 0.264 215 M C 2.152 178.524 176.300 0.120 0.000 1.080 215 M CA 1.706 57.062 55.300 0.093 0.000 1.153 215 M CB -0.245 32.395 32.600 0.066 0.000 1.356 215 M HN 0.268 nan 8.290 nan 0.000 0.432 216 K N -0.571 119.927 120.400 0.164 0.000 2.209 216 K HA -0.162 4.158 4.320 -0.000 0.000 0.204 216 K C 1.598 178.252 176.600 0.091 0.000 1.048 216 K CA 1.671 58.022 56.287 0.107 0.000 0.940 216 K CB -0.325 32.216 32.500 0.067 0.000 0.729 216 K HN 0.409 nan 8.250 nan 0.000 0.451 217 H N -0.382 118.690 119.070 0.004 0.000 2.395 217 H HA 0.214 4.770 4.556 -0.000 0.000 0.299 217 H C 0.759 176.073 175.328 -0.023 0.000 1.070 217 H CA 0.783 56.829 56.048 -0.004 0.000 1.356 217 H CB -0.558 29.209 29.762 0.009 0.000 1.401 217 H HN 0.269 nan 8.280 nan 0.000 0.524 218 A N 1.071 123.960 122.820 0.116 0.000 2.433 218 A HA 0.235 4.555 4.320 -0.000 0.000 0.250 218 A C 0.049 177.630 177.584 -0.005 0.000 1.113 218 A CA 0.108 52.156 52.037 0.019 0.000 0.794 218 A CB 0.233 19.247 19.000 0.023 0.000 1.067 218 A HN 0.408 nan 8.150 nan 0.000 0.510 219 K N 0.101 120.483 120.400 -0.030 0.000 2.535 219 K HA 0.439 4.759 4.320 -0.000 0.000 0.250 219 K C -0.607 176.020 176.600 0.045 0.000 0.948 219 K CA -0.320 55.968 56.287 0.002 0.000 0.796 219 K CB 2.105 34.599 32.500 -0.010 0.000 1.216 219 K HN 0.844 nan 8.250 nan 0.000 0.432 220 S N 1.205 116.928 115.700 0.039 0.000 2.738 220 S HA 0.543 5.013 4.470 -0.000 0.000 0.284 220 S C 0.364 175.004 174.600 0.067 0.000 1.146 220 S CA -0.384 57.835 58.200 0.033 0.000 0.997 220 S CB 1.498 64.702 63.200 0.007 0.000 1.081 220 S HN 0.753 nan 8.310 nan 0.000 0.553 228 S N 1.501 117.221 115.700 0.034 0.000 2.343 228 S HA -0.071 4.399 4.470 -0.000 0.000 0.219 228 S C 1.115 175.730 174.600 0.025 0.000 1.033 228 S CA 1.135 59.359 58.200 0.040 0.000 1.014 228 S CB -0.209 63.011 63.200 0.033 0.000 0.915 228 S HN 0.726 nan 8.310 nan 0.000 0.435 229 Q N 1.550 121.351 119.800 0.002 0.000 3.151 229 Q HA 0.129 4.469 4.340 -0.000 0.000 0.277 229 Q C -0.491 175.491 176.000 -0.030 0.000 1.343 229 Q CA 0.492 56.278 55.803 -0.028 0.000 0.925 229 Q CB 0.036 28.745 28.738 -0.047 0.000 1.771 229 Q HN 0.648 nan 8.270 nan 0.000 0.514 230 D N -1.071 119.324 120.400 -0.008 0.000 2.520 230 D HA 0.012 4.652 4.640 -0.000 0.000 0.386 230 D C -0.481 175.799 176.300 -0.035 0.000 1.267 230 D CA 0.058 54.053 54.000 -0.009 0.000 0.958 230 D CB 0.584 41.388 40.800 0.006 0.000 1.462 230 D HN 0.174 nan 8.370 nan 0.000 0.438 231 E N 1.428 121.604 120.200 -0.041 0.000 2.239 231 E HA 0.394 4.744 4.350 -0.000 0.000 0.261 231 E C -2.360 174.180 176.600 -0.100 0.000 1.016 231 E CA -2.156 54.118 56.400 -0.210 0.000 0.882 231 E CB 1.013 30.675 29.700 -0.063 0.000 1.190 231 E HN 0.099 nan 8.360 nan 0.000 0.415 232 P HA -0.079 nan 4.420 nan 0.000 0.266 232 P C -1.027 176.375 177.300 0.171 0.000 1.193 232 P CA 0.569 63.637 63.100 -0.053 0.000 0.770 232 P CB 0.140 31.769 31.700 -0.119 0.000 0.836 233 F N -0.817 119.133 119.950 -0.000 0.000 2.593 233 F HA 0.646 5.173 4.527 -0.000 0.000 0.320 233 F C -0.556 175.156 175.800 -0.148 0.000 1.060 233 F CA -1.458 56.519 58.000 -0.040 0.000 0.940 233 F CB 1.240 40.227 39.000 -0.022 0.000 1.268 233 F HN 0.124 nan 8.300 nan 0.000 0.475 234 N N 2.837 121.432 118.700 -0.175 0.000 2.491 234 N HA 0.241 4.981 4.740 -0.000 0.000 0.274 234 N C 0.469 175.896 175.510 -0.137 0.000 1.023 234 N CA -0.550 52.266 53.050 -0.391 0.000 0.902 234 N CB 1.844 39.866 38.487 -0.776 0.000 1.267 234 N HN 1.036 nan 8.380 nan 0.000 0.503 235 L N 1.809 122.998 121.223 -0.057 0.000 2.265 235 L HA 0.101 4.441 4.340 -0.000 0.000 0.215 235 L C 1.472 178.268 176.870 -0.124 0.000 1.117 235 L CA 0.817 55.673 54.840 0.027 0.000 0.782 235 L CB -0.034 42.100 42.059 0.126 0.000 0.914 235 L HN 0.298 nan 8.230 nan 0.000 0.441 236 R N 0.753 121.044 120.500 -0.349 0.000 2.307 236 R HA 0.039 4.379 4.340 -0.000 0.000 0.199 236 R C 0.946 176.985 176.300 -0.436 0.000 1.000 236 R CA 0.845 56.480 56.100 -0.775 0.000 1.023 236 R CB -0.325 29.556 30.300 -0.698 0.000 0.908 236 R HN 0.647 nan 8.270 nan 0.000 0.473 237 N N 0.329 118.915 118.700 -0.191 0.000 2.270 237 N HA -0.016 4.724 4.740 -0.000 0.000 0.198 237 N C -0.275 175.244 175.510 0.015 0.000 1.117 237 N CA -0.225 52.782 53.050 -0.072 0.000 0.845 237 N CB 0.595 39.046 38.487 -0.060 0.000 0.980 237 N HN 0.091 nan 8.380 nan 0.000 0.486 238 S N -0.049 115.690 115.700 0.065 0.000 2.722 238 S HA 0.290 4.760 4.470 -0.000 0.000 0.292 238 S C -0.180 174.536 174.600 0.194 0.000 1.135 238 S CA -0.921 57.349 58.200 0.117 0.000 1.003 238 S CB 2.120 65.389 63.200 0.116 0.000 1.067 238 S HN 0.000 nan 8.310 nan 0.000 0.546 239 K N 1.402 121.867 120.400 0.109 0.000 2.349 239 K HA 0.309 4.629 4.320 -0.000 0.000 0.288 239 K C -2.548 174.063 176.600 0.017 0.000 1.058 239 K CA -1.708 54.619 56.287 0.067 0.000 0.953 239 K CB -0.137 32.374 32.500 0.018 0.000 0.997 239 K HN 0.351 nan 8.250 nan 0.000 0.477 240 P HA -0.079 nan 4.420 nan 0.000 0.266 240 P C 0.593 177.763 177.300 -0.215 0.000 1.195 240 P CA 0.069 62.990 63.100 -0.299 0.000 0.768 240 P CB 0.408 31.809 31.700 -0.498 0.000 0.838 241 I N -0.639 119.735 120.570 -0.328 0.000 2.500 241 I HA -0.014 4.156 4.170 -0.000 0.000 0.252 241 I C -0.124 175.741 176.117 -0.420 0.000 1.142 241 I CA 1.089 62.099 61.300 -0.483 0.000 1.451 241 I CB -0.375 37.113 38.000 -0.853 0.000 1.093 241 I HN 0.091 nan 8.210 nan 0.000 0.430 242 Y N 0.635 120.804 120.300 -0.218 0.000 2.462 242 Y HA 0.749 5.299 4.550 0.000 0.000 0.346 242 Y C -0.131 175.798 175.900 0.047 0.000 0.976 242 Y CA -1.954 56.038 58.100 -0.181 0.000 1.044 242 Y CB 1.699 39.914 38.460 -0.408 0.000 1.230 242 Y HN -0.011 nan 8.280 nan 0.000 0.455 243 S N 2.577 118.425 115.700 0.246 0.000 2.582 243 S HA 0.667 5.137 4.470 -0.000 0.000 0.287 243 S C -1.570 173.100 174.600 0.118 0.000 1.146 243 S CA -0.598 57.683 58.200 0.136 0.000 0.941 243 S CB 0.461 63.659 63.200 -0.003 0.000 1.115 243 S HN 0.989 nan 8.310 nan 0.000 0.458 244 N N 2.240 120.989 118.700 0.083 0.000 3.378 244 N HA 0.332 5.072 4.740 -0.000 0.000 0.294 244 N C 0.192 175.644 175.510 -0.097 0.000 1.544 244 N CA -0.644 52.424 53.050 0.030 0.000 0.872 244 N CB -0.038 38.526 38.487 0.129 0.000 1.670 244 N HN 0.462 nan 8.380 nan 0.000 0.551 245 K N -0.991 119.264 120.400 -0.242 0.000 2.360 245 K HA 0.035 4.355 4.320 -0.000 0.000 0.201 245 K C 0.234 176.499 176.600 -0.558 0.000 1.046 245 K CA 1.354 57.368 56.287 -0.454 0.000 0.945 245 K CB -0.508 31.610 32.500 -0.637 0.000 0.750 245 K HN 0.348 nan 8.250 nan 0.000 0.464 246 F N 1.047 120.980 119.950 -0.028 0.000 2.656 246 F HA 0.315 4.842 4.527 0.000 0.000 0.291 246 F C 1.205 176.851 175.800 -0.255 0.000 1.122 246 F CA 0.153 58.123 58.000 -0.050 0.000 1.427 246 F CB 0.921 39.963 39.000 0.069 0.000 1.125 246 F HN 0.189 nan 8.300 nan 0.000 0.583 247 G N 0.150 108.733 108.800 -0.361 0.000 2.466 247 G HA2 0.556 4.516 3.960 -0.000 0.000 0.291 247 G HA3 0.556 4.516 3.960 -0.000 0.000 0.291 247 G C -1.720 172.700 174.900 -0.800 0.000 1.460 247 G CA -1.211 43.317 45.100 -0.953 0.000 0.791 247 G HN 0.123 nan 8.290 nan 0.000 0.505 248 R N -1.143 119.002 120.500 -0.593 0.000 2.668 248 R HA 0.667 5.007 4.340 -0.000 0.000 0.272 248 R C -1.937 174.358 176.300 -0.009 0.000 1.019 248 R CA -1.172 54.823 56.100 -0.175 0.000 0.894 248 R CB 2.388 32.538 30.300 -0.251 0.000 1.228 248 R HN 0.523 nan 8.270 nan 0.000 0.460 249 W N 4.285 125.507 121.300 -0.130 0.000 2.424 249 W HA 0.401 5.061 4.660 -0.000 0.000 0.318 249 W C -1.748 174.550 176.519 -0.367 0.000 1.016 249 W CA -1.555 55.705 57.345 -0.142 0.000 1.268 249 W CB 1.110 30.592 29.460 0.036 0.000 1.297 249 W HN 0.647 nan 8.180 nan 0.000 0.428 250 Y N 3.638 124.021 120.300 0.138 0.000 2.320 250 Y HA 0.366 4.916 4.550 0.000 0.000 0.334 250 Y C 0.299 176.276 175.900 0.129 0.000 1.055 250 Y CA -0.261 57.888 58.100 0.082 0.000 1.143 250 Y CB 1.638 40.103 38.460 0.008 0.000 1.193 250 Y HN 0.387 nan 8.280 nan 0.000 0.477 251 E N 3.637 123.971 120.200 0.224 0.000 2.304 251 E HA 0.458 4.808 4.350 -0.000 0.000 0.277 251 E C -1.752 174.897 176.600 0.081 0.000 0.898 251 E CA -0.808 55.672 56.400 0.134 0.000 0.764 251 E CB 1.569 31.282 29.700 0.022 0.000 1.216 251 E HN 0.703 nan 8.360 nan 0.000 0.419 252 M N 3.732 123.413 119.600 0.135 0.000 2.190 252 M HA 0.358 4.838 4.480 -0.000 0.000 0.312 252 M C -0.749 175.650 176.300 0.165 0.000 0.990 252 M CA -0.339 55.047 55.300 0.143 0.000 0.927 252 M CB 1.640 34.381 32.600 0.235 0.000 1.571 252 M HN 0.646 nan 8.290 nan 0.000 0.427 253 T N 1.237 115.846 114.554 0.091 0.000 2.948 253 T HA 0.601 4.951 4.350 -0.000 0.000 0.285 253 T C -2.433 172.320 174.700 0.089 0.000 1.019 253 T CA -1.789 60.388 62.100 0.127 0.000 1.013 253 T CB 1.235 70.132 68.868 0.049 0.000 1.117 253 T HN 0.360 nan 8.240 nan 0.000 0.533 254 P HA -0.104 nan 4.420 nan 0.000 0.218 254 P C 1.205 178.514 177.300 0.015 0.000 1.148 254 P CA 0.908 64.042 63.100 0.056 0.000 0.822 254 P CB 0.002 31.749 31.700 0.078 0.000 0.784 255 E N -0.170 120.041 120.200 0.019 0.000 2.526 255 E HA -0.073 4.277 4.350 -0.000 0.000 0.198 255 E C 0.810 177.400 176.600 -0.017 0.000 1.091 255 E CA 0.770 57.170 56.400 0.000 0.000 0.880 255 E CB -0.410 29.292 29.700 0.003 0.000 0.873 255 E HN 0.397 nan 8.360 nan 0.000 0.527 256 K N 0.040 120.424 120.400 -0.028 0.000 2.521 256 K HA 0.147 4.467 4.320 -0.000 0.000 0.213 256 K C 0.175 176.719 176.600 -0.093 0.000 1.223 256 K CA -0.170 56.091 56.287 -0.044 0.000 1.013 256 K CB 0.756 33.239 32.500 -0.027 0.000 1.017 256 K HN -0.095 nan 8.250 nan 0.000 0.591 257 N N 1.000 119.624 118.700 -0.127 0.000 2.503 257 N HA 0.122 4.862 4.740 -0.000 0.000 0.287 257 N C -2.532 172.861 175.510 -0.195 0.000 1.096 257 N CA -1.488 51.413 53.050 -0.248 0.000 0.936 257 N CB 2.112 40.306 38.487 -0.488 0.000 1.570 257 N HN -0.265 nan 8.380 nan 0.000 0.504 258 P HA -0.187 nan 4.420 nan 0.000 0.215 258 P C 0.901 178.144 177.300 -0.095 0.000 1.157 258 P CA 1.435 64.472 63.100 -0.105 0.000 0.868 258 P CB 0.654 32.302 31.700 -0.086 0.000 0.788 259 Q N -0.882 118.834 119.800 -0.141 0.000 2.050 259 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 259 Q C 2.331 178.324 176.000 -0.011 0.000 0.980 259 Q CA 1.067 56.835 55.803 -0.058 0.000 0.840 259 Q CB -0.603 28.129 28.738 -0.009 0.000 0.898 259 Q HN 0.149 nan 8.270 nan 0.000 0.424 260 L N 1.127 122.316 121.223 -0.058 0.000 2.083 260 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 260 L C 2.192 179.088 176.870 0.042 0.000 1.083 260 L CA 1.720 56.587 54.840 0.045 0.000 0.752 260 L CB -0.652 41.431 42.059 0.041 0.000 0.899 260 L HN 0.127 nan 8.230 nan 0.000 0.433 261 K N -0.527 119.874 120.400 0.001 0.000 2.097 261 K HA -0.225 4.095 4.320 -0.000 0.000 0.205 261 K C 1.808 178.420 176.600 0.019 0.000 1.050 261 K CA 1.595 57.890 56.287 0.013 0.000 0.938 261 K CB -0.028 32.468 32.500 -0.007 0.000 0.718 261 K HN 0.268 nan 8.250 nan 0.000 0.442 262 D N 0.280 120.687 120.400 0.011 0.000 2.117 262 D HA -0.134 4.506 4.640 -0.000 0.000 0.197 262 D C 1.674 177.990 176.300 0.027 0.000 0.987 262 D CA 1.057 55.064 54.000 0.012 0.000 0.829 262 D CB 0.131 40.932 40.800 0.002 0.000 0.961 262 D HN 0.194 nan 8.370 nan 0.000 0.460 263 L N -0.587 120.665 121.223 0.048 0.000 2.509 263 L HA 0.066 4.406 4.340 -0.000 0.000 0.222 263 L C 0.407 177.330 176.870 0.088 0.000 1.123 263 L CA 0.232 55.116 54.840 0.074 0.000 0.856 263 L CB -0.198 41.920 42.059 0.099 0.000 0.985 263 L HN 0.057 nan 8.230 nan 0.000 0.456 264 D N 0.789 121.232 120.400 0.073 0.000 2.697 264 D HA -0.169 4.471 4.640 -0.000 0.000 0.238 264 D C -0.890 175.450 176.300 0.067 0.000 1.152 264 D CA 0.317 54.360 54.000 0.072 0.000 0.666 264 D CB -0.803 40.037 40.800 0.066 0.000 1.037 264 D HN -0.029 nan 8.370 nan 0.000 0.423 265 V N 1.605 121.571 119.914 0.086 0.000 2.789 265 V HA 0.734 4.854 4.120 -0.000 0.000 0.311 265 V C 0.215 176.409 176.094 0.167 0.000 1.073 265 V CA -0.912 61.421 62.300 0.055 0.000 0.921 265 V CB 1.918 33.795 31.823 0.091 0.000 1.009 265 V HN 0.223 nan 8.190 nan 0.000 0.426 266 F N 4.099 124.133 119.950 0.140 0.000 2.538 266 F HA 0.924 5.451 4.527 -0.000 0.000 0.325 266 F C -0.413 175.470 175.800 0.139 0.000 1.066 266 F CA -1.131 56.949 58.000 0.133 0.000 0.946 266 F CB 1.529 40.586 39.000 0.095 0.000 1.199 266 F HN 0.472 nan 8.300 nan 0.000 0.473 267 I N 0.387 121.259 120.570 0.503 0.000 2.603 267 I HA 0.790 4.960 4.170 -0.000 0.000 0.300 267 I C -1.070 175.095 176.117 0.081 0.000 1.017 267 I CA -0.758 60.647 61.300 0.174 0.000 1.098 267 I CB 2.148 40.293 38.000 0.242 0.000 1.279 267 I HN 0.616 nan 8.210 nan 0.000 0.437 268 S N 2.768 118.267 115.700 -0.336 0.000 2.536 268 S HA 0.578 5.048 4.470 -0.000 0.000 0.287 268 S C -0.770 173.540 174.600 -0.482 0.000 1.101 268 S CA -0.648 57.409 58.200 -0.238 0.000 0.950 268 S CB 1.911 65.072 63.200 -0.065 0.000 1.056 268 S HN 0.717 nan 8.310 nan 0.000 0.481 269 S N 2.001 117.539 115.700 -0.270 0.000 2.756 269 S HA 0.624 5.094 4.470 -0.000 0.000 0.303 269 S C -1.208 173.181 174.600 -0.351 0.000 1.135 269 S CA -0.432 57.656 58.200 -0.186 0.000 1.066 269 S CB 0.443 63.685 63.200 0.069 0.000 1.008 269 S HN 0.477 nan 8.310 nan 0.000 0.482 270 V N 4.863 124.326 119.914 -0.752 0.000 2.448 270 V HA 0.520 4.640 4.120 -0.000 0.000 0.295 270 V C -0.795 174.989 176.094 -0.516 0.000 1.025 270 V CA -0.875 60.924 62.300 -0.836 0.000 0.859 270 V CB 1.949 32.789 31.823 -1.639 0.000 0.988 270 V HN 0.752 nan 8.190 nan 0.000 0.431 271 D N 5.172 125.408 120.400 -0.273 0.000 2.217 271 D HA 0.700 5.340 4.640 -0.000 0.000 0.243 271 D C -0.428 175.733 176.300 -0.232 0.000 1.054 271 D CA -0.118 53.778 54.000 -0.173 0.000 0.838 271 D CB 1.991 42.734 40.800 -0.096 0.000 1.162 271 D HN 0.371 nan 8.370 nan 0.000 0.472 272 M N 1.482 121.020 119.600 -0.103 0.000 2.324 272 M HA 0.228 4.708 4.480 -0.000 0.000 0.288 272 M C -0.397 175.906 176.300 0.005 0.000 1.097 272 M CA -0.953 54.305 55.300 -0.071 0.000 0.928 272 M CB 3.001 35.657 32.600 0.094 0.000 1.648 272 M HN 0.140 nan 8.290 nan 0.000 0.460 273 K N 1.316 121.728 120.400 0.019 0.000 2.098 273 K HA 0.398 4.718 4.320 -0.000 0.000 0.261 273 K C -0.236 176.419 176.600 0.091 0.000 0.987 273 K CA -0.730 55.586 56.287 0.049 0.000 0.916 273 K CB 1.631 34.154 32.500 0.038 0.000 1.039 273 K HN 0.658 nan 8.250 nan 0.000 0.455 274 E N 0.756 121.002 120.200 0.076 0.000 2.708 274 E HA -0.097 4.253 4.350 -0.000 0.000 0.260 274 E C 0.574 177.231 176.600 0.094 0.000 0.937 274 E CA 1.569 58.015 56.400 0.077 0.000 0.953 274 E CB -0.205 29.530 29.700 0.059 0.000 0.915 274 E HN 0.876 nan 8.360 nan 0.000 0.487 275 G N 2.238 111.087 108.800 0.081 0.000 2.176 275 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.253 275 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.253 275 G C 0.240 175.180 174.900 0.067 0.000 0.979 275 G CA 0.129 45.271 45.100 0.070 0.000 0.641 275 G HN 0.881 nan 8.290 nan 0.000 0.530 276 A N -0.465 122.423 122.820 0.113 0.000 2.304 276 A HA 0.821 5.141 4.320 -0.000 0.000 0.271 276 A C -0.120 177.536 177.584 0.119 0.000 1.091 276 A CA 0.322 52.430 52.037 0.118 0.000 0.812 276 A CB 1.150 20.290 19.000 0.233 0.000 1.056 276 A HN 1.636 nan 8.150 nan 0.000 0.489 277 L N 1.984 123.271 121.223 0.107 0.000 2.381 277 L HA 0.619 4.959 4.340 -0.000 0.000 0.274 277 L C -1.069 175.950 176.870 0.248 0.000 0.988 277 L CA -0.661 54.261 54.840 0.138 0.000 0.824 277 L CB 1.722 43.804 42.059 0.039 0.000 1.263 277 L HN 0.614 nan 8.230 nan 0.000 0.410 278 L N 6.049 127.456 121.223 0.307 0.000 2.283 278 L HA 0.447 4.787 4.340 -0.000 0.000 0.287 278 L C -0.574 176.444 176.870 0.246 0.000 1.073 278 L CA 0.025 55.044 54.840 0.298 0.000 0.822 278 L CB 0.264 42.573 42.059 0.417 0.000 1.186 278 L HN 0.648 nan 8.230 nan 0.000 0.436 279 L N 6.771 128.119 121.223 0.209 0.000 2.529 279 L HA 0.083 4.423 4.340 -0.000 0.000 0.287 279 L C -1.733 175.335 176.870 0.330 0.000 1.241 279 L CA -1.395 53.586 54.840 0.235 0.000 0.857 279 L CB -0.279 41.906 42.059 0.209 0.000 1.113 279 L HN 0.520 nan 8.230 nan 0.000 0.504 280 P HA -0.022 nan 4.420 nan 0.000 0.262 280 P C -0.928 176.438 177.300 0.110 0.000 1.182 280 P CA 0.757 63.931 63.100 0.124 0.000 0.761 280 P CB 0.302 32.049 31.700 0.078 0.000 0.795 281 H N 1.288 120.273 119.070 -0.142 0.000 2.902 281 H HA 0.525 5.081 4.556 0.000 0.000 0.297 281 H C -1.492 173.773 175.328 -0.105 0.000 1.406 281 H CA -0.850 54.985 56.048 -0.355 0.000 1.134 281 H CB 0.929 30.043 29.762 -1.080 0.000 1.833 281 H HN 0.478 nan 8.280 nan 0.000 0.527 282 Y N -0.528 119.666 120.300 -0.176 0.000 2.581 282 Y HA 0.488 5.038 4.550 0.000 0.000 0.337 282 Y C -1.658 174.248 175.900 0.011 0.000 1.108 282 Y CA -1.164 56.870 58.100 -0.110 0.000 1.033 282 Y CB 1.407 39.835 38.460 -0.052 0.000 1.318 282 Y HN 0.507 nan 8.280 nan 0.000 0.459 283 N N 2.013 120.897 118.700 0.306 0.000 2.434 283 N HA 0.113 4.852 4.740 -0.000 0.000 0.272 283 N C 0.677 176.412 175.510 0.375 0.000 1.040 283 N CA 0.437 53.641 53.050 0.258 0.000 0.956 283 N CB 2.046 40.699 38.487 0.277 0.000 1.108 283 N HN 0.933 nan 8.380 nan 0.000 0.481 284 S N 2.996 118.878 115.700 0.302 0.000 2.359 284 S HA -0.207 4.263 4.470 -0.000 0.000 0.224 284 S C 1.158 175.882 174.600 0.207 0.000 1.035 284 S CA 1.203 59.602 58.200 0.331 0.000 1.018 284 S CB -0.077 63.259 63.200 0.227 0.000 0.876 284 S HN 0.790 nan 8.310 nan 0.000 0.448 285 K N 0.032 120.533 120.400 0.169 0.000 2.521 285 K HA 0.580 4.900 4.320 -0.000 0.000 0.213 285 K C 0.234 176.895 176.600 0.101 0.000 1.223 285 K CA 0.155 56.514 56.287 0.120 0.000 1.013 285 K CB 0.583 33.144 32.500 0.101 0.000 1.017 285 K HN 0.323 nan 8.250 nan 0.000 0.591 286 A N 2.180 125.086 122.820 0.143 0.000 2.331 286 A HA 0.534 4.854 4.320 -0.000 0.000 0.283 286 A C -0.230 177.362 177.584 0.013 0.000 1.142 286 A CA -0.700 51.391 52.037 0.090 0.000 0.812 286 A CB 0.051 19.199 19.000 0.247 0.000 1.074 286 A HN 0.339 nan 8.150 nan 0.000 0.497 287 I N 3.175 123.685 120.570 -0.101 0.000 2.304 287 I HA 0.240 4.410 4.170 -0.000 0.000 0.291 287 I C -0.525 175.470 176.117 -0.203 0.000 1.018 287 I CA -0.469 60.735 61.300 -0.160 0.000 1.260 287 I CB 1.295 39.162 38.000 -0.221 0.000 1.390 287 I HN 0.251 nan 8.210 nan 0.000 0.475 288 V N 7.847 127.687 119.914 -0.123 0.000 2.427 288 V HA 0.392 4.512 4.120 -0.000 0.000 0.286 288 V C 0.189 176.245 176.094 -0.062 0.000 1.034 288 V CA -0.443 61.812 62.300 -0.076 0.000 0.893 288 V CB 1.819 33.703 31.823 0.102 0.000 0.982 288 V HN 0.483 nan 8.190 nan 0.000 0.452 289 I N 6.578 127.132 120.570 -0.027 0.000 2.359 289 I HA 0.446 4.616 4.170 -0.000 0.000 0.284 289 I C 0.048 176.278 176.117 0.188 0.000 1.018 289 I CA -0.197 61.142 61.300 0.066 0.000 1.173 289 I CB 1.072 39.133 38.000 0.102 0.000 1.326 289 I HN 0.657 nan 8.210 nan 0.000 0.462 290 M N 6.643 126.370 119.600 0.213 0.000 2.578 290 M HA 0.825 5.305 4.480 -0.000 0.000 0.321 290 M C -1.435 175.038 176.300 0.287 0.000 1.182 290 M CA -0.711 54.725 55.300 0.227 0.000 0.965 290 M CB 2.752 35.441 32.600 0.148 0.000 1.694 290 M HN 0.304 nan 8.290 nan 0.000 0.461 291 V N 3.562 123.663 119.914 0.312 0.000 2.789 291 V HA 0.515 4.635 4.120 -0.000 0.000 0.311 291 V C -0.977 175.299 176.094 0.303 0.000 1.073 291 V CA -0.912 61.579 62.300 0.318 0.000 0.921 291 V CB 2.280 34.302 31.823 0.332 0.000 1.009 291 V HN 0.856 nan 8.190 nan 0.000 0.426 292 I N 5.736 126.460 120.570 0.257 0.000 2.379 292 I HA 0.196 4.366 4.170 -0.000 0.000 0.290 292 I C 1.291 177.523 176.117 0.192 0.000 1.063 292 I CA 0.600 62.039 61.300 0.232 0.000 1.351 292 I CB 0.285 38.396 38.000 0.185 0.000 1.410 292 I HN 0.886 nan 8.210 nan 0.000 0.505 293 N N 5.338 124.151 118.700 0.189 0.000 2.124 293 N HA -0.010 4.730 4.740 -0.000 0.000 0.188 293 N C 0.079 175.645 175.510 0.093 0.000 1.045 293 N CA 0.685 53.808 53.050 0.123 0.000 0.846 293 N CB 0.620 39.171 38.487 0.107 0.000 1.020 293 N HN 0.654 nan 8.380 nan 0.000 0.432 294 E N -1.446 118.812 120.200 0.098 0.000 2.331 294 E HA 0.491 4.841 4.350 -0.000 0.000 0.275 294 E C -0.797 175.856 176.600 0.088 0.000 0.895 294 E CA -0.396 56.050 56.400 0.076 0.000 0.753 294 E CB 2.374 32.106 29.700 0.052 0.000 1.216 294 E HN 0.514 nan 8.360 nan 0.000 0.434 295 G N 1.854 110.700 108.800 0.076 0.000 2.526 295 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.250 295 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.250 295 G C -1.057 173.892 174.900 0.082 0.000 1.289 295 G CA -0.447 44.699 45.100 0.077 0.000 0.947 295 G HN 0.566 nan 8.290 nan 0.000 0.517 296 E N -0.846 119.400 120.200 0.076 0.000 2.383 296 E HA 0.711 5.061 4.350 -0.000 0.000 0.275 296 E C -0.304 176.330 176.600 0.056 0.000 0.918 296 E CA -0.369 56.070 56.400 0.065 0.000 0.764 296 E CB 1.913 31.643 29.700 0.051 0.000 1.252 296 E HN 1.770 nan 8.360 nan 0.000 0.449 297 A N 2.839 125.677 122.820 0.030 0.000 2.594 297 A HA 0.695 5.015 4.320 -0.000 0.000 0.291 297 A C -1.553 176.003 177.584 -0.047 0.000 1.105 297 A CA -0.808 51.230 52.037 0.002 0.000 0.694 297 A CB 1.911 20.901 19.000 -0.015 0.000 1.291 297 A HN 0.354 nan 8.150 nan 0.000 0.410 298 K N 0.984 121.351 120.400 -0.055 0.000 2.323 298 K HA 0.589 4.909 4.320 -0.000 0.000 0.259 298 K C -1.618 174.907 176.600 -0.125 0.000 0.947 298 K CA -0.127 56.109 56.287 -0.085 0.000 0.819 298 K CB 1.821 34.294 32.500 -0.045 0.000 1.109 298 K HN 0.684 nan 8.250 nan 0.000 0.429 299 I N 1.443 121.886 120.570 -0.210 0.000 2.569 299 I HA 0.261 4.431 4.170 -0.000 0.000 0.296 299 I C -0.818 175.179 176.117 -0.199 0.000 1.028 299 I CA -0.470 60.663 61.300 -0.279 0.000 1.082 299 I CB 1.623 39.264 38.000 -0.598 0.000 1.264 299 I HN 0.485 nan 8.210 nan 0.000 0.429 300 E N 7.171 127.302 120.200 -0.115 0.000 2.218 300 E HA 0.396 4.746 4.350 -0.000 0.000 0.263 300 E C -1.565 175.051 176.600 0.026 0.000 0.879 300 E CA -0.729 55.659 56.400 -0.020 0.000 0.762 300 E CB 2.772 32.470 29.700 -0.003 0.000 1.166 300 E HN 0.349 nan 8.360 nan 0.000 0.415 301 L N 3.054 124.362 121.223 0.141 0.000 2.342 301 L HA 0.515 4.854 4.340 -0.000 0.000 0.271 301 L C -1.387 175.640 176.870 0.262 0.000 1.008 301 L CA -0.830 54.139 54.840 0.215 0.000 0.818 301 L CB 1.949 44.219 42.059 0.352 0.000 1.296 301 L HN 0.292 nan 8.230 nan 0.000 0.427 302 V N 4.447 124.480 119.914 0.200 0.000 2.409 302 V HA 0.865 4.985 4.120 -0.000 0.000 0.291 302 V C 0.441 176.591 176.094 0.093 0.000 1.020 302 V CA 0.007 62.392 62.300 0.142 0.000 0.848 302 V CB 0.864 32.708 31.823 0.034 0.000 0.990 302 V HN 0.956 nan 8.190 nan 0.000 0.430 303 G N 3.922 112.830 108.800 0.180 0.000 3.175 303 G HA2 0.844 4.804 3.960 -0.000 0.000 0.255 303 G HA3 0.844 4.804 3.960 -0.000 0.000 0.255 303 G C -1.341 173.544 174.900 -0.024 0.000 1.352 303 G CA -0.811 44.303 45.100 0.023 0.000 1.037 303 G HN 0.541 nan 8.290 nan 0.000 0.556 304 L N 0.728 121.946 121.223 -0.010 0.000 2.381 304 L HA 0.460 4.800 4.340 -0.000 0.000 0.268 304 L C 0.517 177.419 176.870 0.053 0.000 0.997 304 L CA -0.935 53.897 54.840 -0.012 0.000 0.818 304 L CB 2.337 44.357 42.059 -0.065 0.000 1.310 304 L HN 0.680 nan 8.230 nan 0.000 0.416 305 S N 0.566 116.283 115.700 0.027 0.000 2.585 305 S HA 0.658 5.128 4.470 -0.000 0.000 0.273 305 S C -0.732 173.891 174.600 0.038 0.000 1.339 305 S CA -0.461 57.761 58.200 0.036 0.000 1.028 305 S CB 1.229 64.434 63.200 0.009 0.000 0.906 305 S HN 0.753 nan 8.310 nan 0.000 0.528 316 S N 1.750 117.447 115.700 -0.006 0.000 2.546 316 S HA 0.101 4.571 4.470 -0.000 0.000 0.290 316 S C 0.192 174.787 174.600 -0.008 0.000 1.290 316 S CA -0.506 57.690 58.200 -0.007 0.000 1.069 316 S CB 0.258 63.455 63.200 -0.006 0.000 0.846 316 S HN 0.412 nan 8.310 nan 0.000 0.495 317 L N 5.724 126.941 121.223 -0.011 0.000 2.369 317 L HA 0.393 4.733 4.340 -0.000 0.000 0.279 317 L C 0.096 176.958 176.870 -0.014 0.000 1.108 317 L CA 0.688 55.520 54.840 -0.013 0.000 0.852 317 L CB 0.192 42.241 42.059 -0.018 0.000 1.169 317 L HN 0.719 nan 8.230 nan 0.000 0.452 318 E N 3.395 123.588 120.200 -0.013 0.000 2.222 318 E HA 0.468 4.818 4.350 -0.000 0.000 0.272 318 E C -0.649 175.939 176.600 -0.021 0.000 0.982 318 E CA -0.925 55.466 56.400 -0.015 0.000 0.842 318 E CB 1.851 31.542 29.700 -0.015 0.000 1.144 318 E HN 0.594 nan 8.360 nan 0.000 0.397 319 V N -0.015 119.884 119.914 -0.024 0.000 3.003 319 V HA 0.270 4.390 4.120 -0.000 0.000 0.305 319 V C -0.186 175.882 176.094 -0.044 0.000 1.078 319 V CA -0.667 61.614 62.300 -0.031 0.000 1.083 319 V CB 1.249 33.056 31.823 -0.026 0.000 1.039 319 V HN 0.537 nan 8.190 nan 0.000 0.481 320 Q N 1.951 121.721 119.800 -0.051 0.000 2.333 320 Q HA 0.482 4.822 4.340 -0.000 0.000 0.268 320 Q C -0.874 174.981 176.000 -0.243 0.000 1.007 320 Q CA -0.410 55.300 55.803 -0.155 0.000 0.810 320 Q CB 1.964 30.631 28.738 -0.118 0.000 1.264 320 Q HN 0.849 nan 8.270 nan 0.000 0.452 321 R N 2.530 122.862 120.500 -0.279 0.000 2.254 321 R HA 0.363 4.703 4.340 -0.000 0.000 0.318 321 R C -0.921 175.196 176.300 -0.305 0.000 1.031 321 R CA -0.231 55.760 56.100 -0.182 0.000 0.905 321 R CB 0.828 31.079 30.300 -0.081 0.000 1.050 321 R HN 0.405 nan 8.270 nan 0.000 0.456 322 Y N 2.427 122.829 120.300 0.171 0.000 2.328 322 Y HA 0.431 4.981 4.550 0.000 0.000 0.333 322 Y C 0.288 176.307 175.900 0.199 0.000 0.958 322 Y CA -0.674 57.577 58.100 0.250 0.000 1.167 322 Y CB 1.406 40.124 38.460 0.431 0.000 1.151 322 Y HN 0.294 nan 8.280 nan 0.000 0.470 323 R N 2.032 122.679 120.500 0.245 0.000 2.837 323 R HA 0.977 5.317 4.340 -0.000 0.000 0.271 323 R C -1.280 175.047 176.300 0.044 0.000 0.993 323 R CA -1.351 54.812 56.100 0.105 0.000 0.931 323 R CB 2.450 32.769 30.300 0.031 0.000 1.206 323 R HN 0.695 nan 8.270 nan 0.000 0.474 324 A N 1.204 123.963 122.820 -0.102 0.000 2.597 324 A HA 0.336 4.656 4.320 -0.000 0.000 0.292 324 A C -1.650 175.753 177.584 -0.301 0.000 1.057 324 A CA -0.795 51.077 52.037 -0.276 0.000 0.674 324 A CB 1.611 20.351 19.000 -0.433 0.000 1.278 324 A HN 0.696 nan 8.150 nan 0.000 0.416 325 E N 0.975 120.981 120.200 -0.324 0.000 2.109 325 E HA 0.497 4.847 4.350 -0.000 0.000 0.278 325 E C -1.126 175.384 176.600 -0.150 0.000 0.954 325 E CA -0.310 55.983 56.400 -0.179 0.000 0.779 325 E CB 1.193 30.839 29.700 -0.091 0.000 1.093 325 E HN 0.495 nan 8.360 nan 0.000 0.401 326 L N 2.722 123.910 121.223 -0.058 0.000 2.264 326 L HA 0.371 4.711 4.340 -0.000 0.000 0.289 326 L C 0.058 176.999 176.870 0.119 0.000 1.044 326 L CA -0.411 54.485 54.840 0.094 0.000 0.807 326 L CB 1.241 43.331 42.059 0.051 0.000 1.192 326 L HN 0.417 nan 8.230 nan 0.000 0.425 327 S N 1.126 116.937 115.700 0.184 0.000 2.704 327 S HA 0.246 4.716 4.470 -0.000 0.000 0.305 327 S C -0.388 174.299 174.600 0.145 0.000 1.107 327 S CA -0.802 57.482 58.200 0.140 0.000 0.993 327 S CB 1.739 65.017 63.200 0.131 0.000 1.110 327 S HN 0.614 nan 8.310 nan 0.000 0.534 328 E N 0.719 120.983 120.200 0.107 0.000 2.708 328 E HA -0.143 4.207 4.350 -0.000 0.000 0.260 328 E C -0.388 176.267 176.600 0.092 0.000 0.937 328 E CA 0.671 57.128 56.400 0.094 0.000 0.953 328 E CB 0.006 29.742 29.700 0.061 0.000 0.915 328 E HN 0.564 nan 8.360 nan 0.000 0.487 329 D N 1.924 122.386 120.400 0.103 0.000 2.837 329 D HA -0.183 4.457 4.640 -0.000 0.000 0.195 329 D C -0.672 175.737 176.300 0.181 0.000 1.033 329 D CA 1.336 55.388 54.000 0.087 0.000 1.021 329 D CB -0.750 40.023 40.800 -0.045 0.000 1.101 329 D HN 0.518 nan 8.370 nan 0.000 0.431 330 D N -0.113 120.425 120.400 0.231 0.000 2.399 330 D HA 0.324 4.964 4.640 -0.000 0.000 0.241 330 D C 0.338 176.864 176.300 0.375 0.000 1.133 330 D CA 0.099 54.291 54.000 0.320 0.000 0.890 330 D CB 1.202 42.235 40.800 0.388 0.000 1.201 330 D HN -0.140 nan 8.370 nan 0.000 0.432 331 V N 2.477 122.637 119.914 0.411 0.000 2.628 331 V HA 0.555 4.675 4.120 -0.000 0.000 0.306 331 V C -0.777 175.640 176.094 0.537 0.000 1.045 331 V CA -0.804 61.746 62.300 0.417 0.000 0.905 331 V CB 1.753 33.773 31.823 0.329 0.000 0.997 331 V HN 0.408 nan 8.190 nan 0.000 0.436 332 F N 3.415 123.564 119.950 0.333 0.000 2.591 332 F HA 0.740 5.267 4.527 -0.000 0.000 0.309 332 F C -0.868 175.083 175.800 0.253 0.000 1.098 332 F CA -0.568 57.653 58.000 0.369 0.000 0.937 332 F CB 1.971 41.141 39.000 0.283 0.000 1.250 332 F HN 0.243 nan 8.300 nan 0.000 0.447 333 V N 6.743 126.525 119.914 -0.220 0.000 2.398 333 V HA 0.418 4.538 4.120 -0.000 0.000 0.286 333 V C -0.120 175.826 176.094 -0.246 0.000 1.026 333 V CA -0.609 61.611 62.300 -0.134 0.000 0.868 333 V CB 1.560 33.333 31.823 -0.083 0.000 0.982 333 V HN 0.554 nan 8.190 nan 0.000 0.443 334 I N 7.241 127.763 120.570 -0.079 0.000 2.337 334 I HA 0.330 4.500 4.170 -0.000 0.000 0.285 334 I C -2.359 173.599 176.117 -0.265 0.000 1.041 334 I CA -1.884 59.350 61.300 -0.111 0.000 1.199 334 I CB 1.463 39.510 38.000 0.078 0.000 1.370 334 I HN 0.404 nan 8.210 nan 0.000 0.470 335 P HA 0.031 nan 4.420 nan 0.000 0.268 335 P C -0.155 176.987 177.300 -0.263 0.000 1.208 335 P CA -0.217 62.527 63.100 -0.593 0.000 0.777 335 P CB 0.602 31.497 31.700 -1.341 0.000 0.875 336 A N 2.830 125.584 122.820 -0.109 0.000 2.531 336 A HA 0.365 4.685 4.320 -0.000 0.000 0.236 336 A C 1.378 179.050 177.584 0.147 0.000 1.062 336 A CA 0.711 52.776 52.037 0.046 0.000 0.760 336 A CB -1.342 17.685 19.000 0.045 0.000 0.995 336 A HN 0.784 nan 8.150 nan 0.000 0.501 337 A N 0.814 123.724 122.820 0.151 0.000 3.829 337 A HA -0.198 4.122 4.320 -0.000 0.000 0.264 337 A C 0.221 177.776 177.584 -0.049 0.000 0.998 337 A CA 1.445 53.466 52.037 -0.027 0.000 1.270 337 A CB -2.661 16.297 19.000 -0.071 0.000 1.063 337 A HN 1.291 nan 8.150 nan 0.000 0.879 338 Y N 0.612 120.838 120.300 -0.124 0.000 2.436 338 Y HA 0.437 4.987 4.550 0.000 0.000 0.336 338 Y C -1.944 173.916 175.900 -0.067 0.000 1.049 338 Y CA -1.634 56.394 58.100 -0.120 0.000 1.294 338 Y CB 0.031 38.389 38.460 -0.170 0.000 1.179 338 Y HN 0.176 nan 8.280 nan 0.000 0.520 339 P HA 0.135 nan 4.420 nan 0.000 0.268 339 P C -0.880 176.414 177.300 -0.010 0.000 1.205 339 P CA 0.098 63.219 63.100 0.035 0.000 0.771 339 P CB 1.060 32.774 31.700 0.024 0.000 0.858 340 V N 1.608 121.436 119.914 -0.143 0.000 3.178 340 V HA 0.852 4.972 4.120 -0.000 0.000 0.302 340 V C -1.721 174.268 176.094 -0.175 0.000 1.262 340 V CA -0.677 61.533 62.300 -0.151 0.000 1.030 340 V CB 2.128 33.851 31.823 -0.167 0.000 1.074 340 V HN 0.684 nan 8.190 nan 0.000 0.438 341 A N 5.041 127.834 122.820 -0.045 0.000 2.594 341 A HA 0.926 5.246 4.320 -0.000 0.000 0.295 341 A C -1.686 175.922 177.584 0.041 0.000 1.071 341 A CA -0.504 51.569 52.037 0.059 0.000 0.685 341 A CB 1.736 20.772 19.000 0.060 0.000 1.285 341 A HN 0.873 nan 8.150 nan 0.000 0.405 342 I N 1.158 121.792 120.570 0.107 0.000 2.569 342 I HA 0.306 4.476 4.170 -0.000 0.000 0.290 342 I C -0.704 175.475 176.117 0.104 0.000 1.088 342 I CA -0.455 60.881 61.300 0.060 0.000 1.047 342 I CB 2.492 40.524 38.000 0.054 0.000 1.237 342 I HN 0.742 nan 8.210 nan 0.000 0.421 343 N N 4.137 122.869 118.700 0.052 0.000 2.424 343 N HA 0.571 5.311 4.740 -0.000 0.000 0.271 343 N C -0.520 175.031 175.510 0.069 0.000 0.985 343 N CA -0.512 52.577 53.050 0.065 0.000 0.921 343 N CB 1.934 40.438 38.487 0.030 0.000 1.149 343 N HN 0.673 nan 8.380 nan 0.000 0.492 344 A N 1.401 124.283 122.820 0.104 0.000 2.343 344 A HA 0.166 4.486 4.320 -0.000 0.000 0.305 344 A C 1.161 178.789 177.584 0.073 0.000 1.308 344 A CA -0.487 51.612 52.037 0.103 0.000 0.949 344 A CB -0.357 18.723 19.000 0.134 0.000 1.148 344 A HN 0.768 nan 8.150 nan 0.000 0.545 345 T N -0.618 113.968 114.554 0.055 0.000 3.148 345 T HA 0.288 4.638 4.350 -0.000 0.000 0.253 345 T C 0.633 175.360 174.700 0.046 0.000 1.134 345 T CA 0.524 62.650 62.100 0.043 0.000 1.051 345 T CB -0.695 68.190 68.868 0.029 0.000 0.959 345 T HN 1.344 nan 8.240 nan 0.000 0.525 346 S N -0.037 115.697 115.700 0.056 0.000 2.611 346 S HA 0.454 4.924 4.470 -0.000 0.000 0.268 346 S C -1.383 173.253 174.600 0.061 0.000 1.156 346 S CA -1.165 57.066 58.200 0.052 0.000 0.817 346 S CB 0.751 63.980 63.200 0.048 0.000 1.122 346 S HN 0.062 nan 8.310 nan 0.000 0.466 347 N N 0.464 119.195 118.700 0.052 0.000 2.395 347 N HA 0.497 5.237 4.740 -0.000 0.000 0.246 347 N C -0.460 175.087 175.510 0.061 0.000 1.246 347 N CA 0.204 53.284 53.050 0.049 0.000 0.879 347 N CB 0.431 38.939 38.487 0.034 0.000 1.098 347 N HN 0.809 nan 8.380 nan 0.000 0.444 348 L N 1.056 122.319 121.223 0.067 0.000 2.518 348 L HA 0.562 4.902 4.340 -0.000 0.000 0.257 348 L C -1.472 175.448 176.870 0.084 0.000 0.980 348 L CA -0.744 54.155 54.840 0.098 0.000 0.837 348 L CB 2.222 44.371 42.059 0.149 0.000 1.410 348 L HN 0.616 nan 8.230 nan 0.000 0.410 349 N N 1.932 120.696 118.700 0.108 0.000 2.336 349 N HA 0.738 5.478 4.740 -0.000 0.000 0.290 349 N C -1.737 173.871 175.510 0.163 0.000 1.058 349 N CA -0.477 52.602 53.050 0.048 0.000 0.865 349 N CB 1.468 39.969 38.487 0.022 0.000 1.581 349 N HN 0.624 nan 8.380 nan 0.000 0.480 350 F N 1.415 121.386 119.950 0.035 0.000 2.588 350 F HA 0.746 5.273 4.527 0.000 0.000 0.314 350 F C -1.590 174.245 175.800 0.059 0.000 1.069 350 F CA -1.255 56.780 58.000 0.058 0.000 0.931 350 F CB 1.124 40.149 39.000 0.042 0.000 1.260 350 F HN 0.309 nan 8.300 nan 0.000 0.465 351 F N 1.720 121.763 119.950 0.154 0.000 2.538 351 F HA 0.883 5.410 4.527 0.000 0.000 0.325 351 F C -0.985 174.846 175.800 0.052 0.000 1.066 351 F CA -0.842 57.146 58.000 -0.020 0.000 0.946 351 F CB 1.855 40.790 39.000 -0.109 0.000 1.199 351 F HN 0.970 nan 8.300 nan 0.000 0.473 352 A N 4.317 126.631 122.820 -0.843 0.000 2.515 352 A HA 0.720 5.040 4.320 -0.000 0.000 0.298 352 A C -2.085 175.099 177.584 -0.667 0.000 1.059 352 A CA -0.508 51.276 52.037 -0.422 0.000 0.698 352 A CB 0.777 19.779 19.000 0.004 0.000 1.289 352 A HN 0.676 nan 8.150 nan 0.000 0.404 353 F N 0.829 120.696 119.950 -0.137 0.000 2.436 353 F HA 0.572 5.099 4.527 -0.000 0.000 0.340 353 F C 1.034 176.579 175.800 -0.425 0.000 1.113 353 F CA -0.296 57.597 58.000 -0.178 0.000 1.022 353 F CB 2.532 41.507 39.000 -0.042 0.000 1.128 353 F HN 0.697 nan 8.300 nan 0.000 0.466 354 G N 4.762 113.161 108.800 -0.669 0.000 2.468 354 G HA2 0.579 4.539 3.960 -0.000 0.000 0.320 354 G HA3 0.579 4.539 3.960 -0.000 0.000 0.320 354 G C -0.868 173.616 174.900 -0.693 0.000 1.137 354 G CA -0.368 43.963 45.100 -1.282 0.000 0.984 354 G HN 0.350 nan 8.290 nan 0.000 0.462 355 I N 1.568 121.862 120.570 -0.460 0.000 2.662 355 I HA 0.235 4.405 4.170 -0.000 0.000 0.291 355 I C 1.292 177.294 176.117 -0.192 0.000 1.046 355 I CA -0.332 60.755 61.300 -0.355 0.000 1.361 355 I CB 1.084 38.766 38.000 -0.529 0.000 1.429 355 I HN 0.773 nan 8.210 nan 0.000 0.558 356 N N 3.037 121.690 118.700 -0.078 0.000 2.740 356 N HA -0.250 4.490 4.740 -0.000 0.000 0.248 356 N C 0.914 176.444 175.510 0.034 0.000 1.062 356 N CA 0.434 53.484 53.050 -0.000 0.000 0.704 356 N CB -0.116 38.371 38.487 0.000 0.000 0.968 356 N HN 0.807 nan 8.380 nan 0.000 0.547 357 A N 0.532 123.379 122.820 0.044 0.000 1.930 357 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 357 A C 0.879 178.594 177.584 0.218 0.000 1.175 357 A CA 1.086 53.239 52.037 0.194 0.000 0.627 357 A CB -0.200 18.943 19.000 0.238 0.000 0.815 357 A HN 0.693 nan 8.150 nan 0.000 0.443 358 E N 1.024 121.306 120.200 0.135 0.000 3.025 358 E HA -0.154 4.196 4.350 -0.000 0.000 0.248 358 E C -0.419 176.238 176.600 0.095 0.000 0.938 358 E CA 0.465 56.926 56.400 0.102 0.000 0.958 358 E CB -0.177 29.566 29.700 0.071 0.000 0.898 358 E HN 0.468 nan 8.360 nan 0.000 0.537 359 N N 2.544 121.291 118.700 0.079 0.000 2.714 359 N HA -0.283 4.457 4.740 -0.000 0.000 0.250 359 N C -0.422 175.130 175.510 0.070 0.000 1.117 359 N CA 1.004 54.089 53.050 0.058 0.000 0.719 359 N CB -1.602 36.913 38.487 0.047 0.000 1.081 359 N HN 0.682 nan 8.380 nan 0.000 0.557 360 N N 1.097 119.859 118.700 0.104 0.000 2.407 360 N HA -0.060 4.680 4.740 -0.000 0.000 0.250 360 N C -0.625 174.912 175.510 0.045 0.000 1.236 360 N CA 0.616 53.739 53.050 0.121 0.000 0.879 360 N CB 0.473 39.100 38.487 0.234 0.000 1.088 360 N HN 0.070 nan 8.380 nan 0.000 0.450 361 Q N 2.949 122.778 119.800 0.047 0.000 2.339 361 Q HA 0.167 4.507 4.340 -0.000 0.000 0.268 361 Q C -0.779 175.192 176.000 -0.048 0.000 1.027 361 Q CA -0.493 55.309 55.803 -0.002 0.000 0.759 361 Q CB 1.629 30.375 28.738 0.012 0.000 1.244 361 Q HN 0.545 nan 8.270 nan 0.000 0.464 362 R N 2.824 123.276 120.500 -0.080 0.000 2.248 362 R HA 0.174 4.514 4.340 -0.000 0.000 0.337 362 R C -0.459 175.707 176.300 -0.223 0.000 1.085 362 R CA 0.135 56.143 56.100 -0.153 0.000 0.934 362 R CB 0.284 30.498 30.300 -0.143 0.000 1.034 362 R HN 0.428 nan 8.270 nan 0.000 0.465 363 N N 5.344 123.749 118.700 -0.492 0.000 2.462 363 N HA 0.100 4.840 4.740 -0.000 0.000 0.242 363 N C -1.008 174.240 175.510 -0.436 0.000 1.010 363 N CA -0.116 52.619 53.050 -0.525 0.000 0.939 363 N CB 0.761 38.633 38.487 -1.026 0.000 1.127 363 N HN 0.282 nan 8.380 nan 0.000 0.509 364 F N 1.250 121.086 119.950 -0.189 0.000 2.371 364 F HA 0.220 4.747 4.527 -0.000 0.000 0.329 364 F C 1.516 177.275 175.800 -0.068 0.000 1.107 364 F CA -0.479 57.460 58.000 -0.102 0.000 1.137 364 F CB 1.143 40.043 39.000 -0.167 0.000 1.214 364 F HN 0.316 nan 8.300 nan 0.000 0.536 365 L N 2.437 123.744 121.223 0.141 0.000 2.808 365 L HA 0.516 4.856 4.340 -0.000 0.000 0.246 365 L C 0.114 177.026 176.870 0.070 0.000 1.153 365 L CA -0.041 54.858 54.840 0.098 0.000 0.956 365 L CB -0.226 41.893 42.059 0.100 0.000 1.270 365 L HN 0.650 nan 8.230 nan 0.000 0.528 366 A N -0.875 121.989 122.820 0.073 0.000 2.601 366 A HA 0.767 5.087 4.320 -0.000 0.000 0.291 366 A C -0.144 177.411 177.584 -0.048 0.000 1.075 366 A CA -0.039 52.002 52.037 0.008 0.000 0.671 366 A CB 0.775 19.781 19.000 0.010 0.000 1.277 366 A HN 0.229 nan 8.150 nan 0.000 0.417 367 G N -1.108 107.636 108.800 -0.092 0.000 2.685 367 G HA2 0.380 4.340 3.960 -0.000 0.000 0.387 367 G HA3 0.380 4.340 3.960 -0.000 0.000 0.387 367 G C 0.867 175.658 174.900 -0.182 0.000 1.324 367 G CA 0.592 45.592 45.100 -0.167 0.000 0.878 367 G HN 2.128 nan 8.290 nan 0.000 0.527 368 G N -0.266 108.394 108.800 -0.233 0.000 2.572 368 G HA2 0.251 4.211 3.960 -0.000 0.000 0.214 368 G HA3 0.251 4.211 3.960 -0.000 0.000 0.214 368 G C 0.793 175.553 174.900 -0.234 0.000 1.246 368 G CA 1.136 46.118 45.100 -0.197 0.000 0.835 368 G HN 0.764 nan 8.290 nan 0.000 0.551 369 K N 1.127 121.311 120.400 -0.360 0.000 2.326 369 K HA 0.199 4.519 4.320 -0.000 0.000 0.275 369 K C -0.130 176.267 176.600 -0.339 0.000 1.018 369 K CA 0.261 56.349 56.287 -0.332 0.000 0.962 369 K CB 0.699 32.995 32.500 -0.341 0.000 0.953 369 K HN 0.274 nan 8.250 nan 0.000 0.475 370 D N 0.692 121.016 120.400 -0.127 0.000 2.983 370 D HA -0.209 4.431 4.640 -0.000 0.000 0.225 370 D C -0.485 175.834 176.300 0.031 0.000 1.174 370 D CA 0.782 54.775 54.000 -0.012 0.000 0.831 370 D CB -0.834 40.024 40.800 0.097 0.000 1.104 370 D HN 0.512 nan 8.370 nan 0.000 0.421 371 N N 1.100 119.783 118.700 -0.028 0.000 2.439 371 N HA 0.144 4.884 4.740 -0.000 0.000 0.243 371 N C 0.932 176.452 175.510 0.016 0.000 1.088 371 N CA -0.017 53.038 53.050 0.009 0.000 0.940 371 N CB 1.425 39.892 38.487 -0.035 0.000 1.180 371 N HN -0.012 nan 8.380 nan 0.000 0.505 372 V N 5.383 125.314 119.914 0.029 0.000 2.594 372 V HA -0.199 3.921 4.120 -0.000 0.000 0.253 372 V C 2.004 178.133 176.094 0.058 0.000 1.069 372 V CA 1.691 64.013 62.300 0.037 0.000 1.082 372 V CB -0.300 31.549 31.823 0.043 0.000 0.680 372 V HN 0.707 nan 8.190 nan 0.000 0.469 373 M N 0.468 120.107 119.600 0.066 0.000 2.213 373 M HA -0.115 4.365 4.480 -0.000 0.000 0.263 373 M C 2.158 178.492 176.300 0.056 0.000 1.062 373 M CA 2.038 57.386 55.300 0.081 0.000 1.105 373 M CB -0.474 32.168 32.600 0.070 0.000 1.385 373 M HN 0.665 nan 8.290 nan 0.000 0.417 374 S N -0.564 115.152 115.700 0.027 0.000 2.607 374 S HA -0.001 4.469 4.470 -0.000 0.000 0.224 374 S C 1.168 175.778 174.600 0.017 0.000 0.969 374 S CA 0.455 58.662 58.200 0.012 0.000 0.927 374 S CB -0.146 63.047 63.200 -0.011 0.000 0.772 374 S HN 0.373 nan 8.310 nan 0.000 0.533 375 E N 0.759 120.975 120.200 0.027 0.000 2.498 375 E HA 0.349 4.699 4.350 -0.000 0.000 0.203 375 E C -0.028 176.592 176.600 0.034 0.000 1.013 375 E CA -0.114 56.301 56.400 0.025 0.000 0.927 375 E CB 0.325 30.040 29.700 0.023 0.000 1.012 375 E HN 0.633 nan 8.360 nan 0.000 0.482 376 I N 4.541 125.140 120.570 0.047 0.000 2.352 376 I HA 0.118 4.288 4.170 -0.000 0.000 0.290 376 I C -1.939 174.205 176.117 0.046 0.000 1.036 376 I CA -1.911 59.421 61.300 0.053 0.000 1.336 376 I CB 0.740 38.788 38.000 0.081 0.000 1.407 376 I HN -0.255 nan 8.210 nan 0.000 0.497 377 P HA 0.012 nan 4.420 nan 0.000 0.267 377 P C 0.637 177.957 177.300 0.034 0.000 1.200 377 P CA -0.028 63.088 63.100 0.027 0.000 0.772 377 P CB 0.566 32.277 31.700 0.019 0.000 0.855 378 T N 1.583 116.155 114.554 0.030 0.000 2.665 378 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 378 T C 1.442 176.162 174.700 0.033 0.000 1.035 378 T CA 1.956 64.077 62.100 0.034 0.000 1.151 378 T CB -0.467 68.415 68.868 0.024 0.000 0.862 378 T HN 0.496 nan 8.240 nan 0.000 0.438 379 E N 0.603 120.817 120.200 0.022 0.000 2.110 379 E HA -0.056 4.294 4.350 -0.000 0.000 0.193 379 E C 2.328 178.936 176.600 0.013 0.000 0.988 379 E CA 0.595 57.005 56.400 0.016 0.000 0.804 379 E CB -0.594 29.111 29.700 0.009 0.000 0.745 379 E HN 0.293 nan 8.360 nan 0.000 0.458 380 V N 0.614 120.535 119.914 0.013 0.000 2.379 380 V HA -0.185 3.935 4.120 -0.000 0.000 0.245 380 V C 2.188 178.283 176.094 0.001 0.000 1.044 380 V CA 1.259 63.558 62.300 -0.002 0.000 1.036 380 V CB -0.428 31.395 31.823 -0.001 0.000 0.664 380 V HN 0.240 nan 8.190 nan 0.000 0.453 381 L N 0.071 121.325 121.223 0.052 0.000 2.079 381 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 381 L C 2.621 179.565 176.870 0.123 0.000 1.081 381 L CA 1.902 56.822 54.840 0.134 0.000 0.752 381 L CB -0.561 41.608 42.059 0.183 0.000 0.896 381 L HN 0.407 nan 8.230 nan 0.000 0.433 382 E N 0.327 120.570 120.200 0.072 0.000 2.130 382 E HA -0.217 4.133 4.350 -0.000 0.000 0.196 382 E C 1.812 178.432 176.600 0.033 0.000 0.998 382 E CA 2.015 58.449 56.400 0.057 0.000 0.806 382 E CB 0.028 29.748 29.700 0.033 0.000 0.738 382 E HN 0.436 nan 8.360 nan 0.000 0.459 383 V N -3.195 116.715 119.914 -0.006 0.000 3.644 383 V HA 0.219 4.339 4.120 -0.000 0.000 0.267 383 V C 1.855 177.884 176.094 -0.108 0.000 1.277 383 V CA 0.764 63.041 62.300 -0.039 0.000 1.096 383 V CB 0.494 32.294 31.823 -0.039 0.000 0.828 383 V HN 0.089 nan 8.190 nan 0.000 0.446 384 S N 0.272 115.853 115.700 -0.198 0.000 2.461 384 S HA 0.341 4.811 4.470 -0.000 0.000 0.228 384 S C 0.235 174.394 174.600 -0.735 0.000 1.005 384 S CA 0.857 58.756 58.200 -0.501 0.000 0.942 384 S CB -0.249 62.531 63.200 -0.700 0.000 0.776 384 S HN 0.610 nan 8.310 nan 0.000 0.514 385 F N -0.325 119.625 119.950 -0.000 0.000 2.611 385 F HA 0.440 4.967 4.527 -0.000 0.000 0.324 385 F C -1.980 173.819 175.800 -0.002 0.000 1.061 385 F CA -2.363 55.637 58.000 -0.001 0.000 0.954 385 F CB 0.330 39.330 39.000 -0.000 0.000 1.301 385 F HN -0.257 nan 8.300 nan 0.000 0.482 386 P HA -0.071 nan 4.420 nan 0.000 0.214 386 P C 0.057 177.411 177.300 0.089 0.000 1.163 386 P CA 1.453 64.618 63.100 0.109 0.000 0.883 386 P CB -0.075 31.677 31.700 0.087 0.000 0.788 387 A N -0.112 122.763 122.820 0.092 0.000 2.387 387 A HA 0.339 4.659 4.320 -0.000 0.000 0.251 387 A C 0.795 178.421 177.584 0.069 0.000 1.113 387 A CA 0.222 52.294 52.037 0.058 0.000 0.794 387 A CB -0.602 18.415 19.000 0.029 0.000 1.069 387 A HN 0.276 nan 8.150 nan 0.000 0.506 388 S N -0.705 115.022 115.700 0.045 0.000 2.614 388 S HA 0.419 4.889 4.470 -0.000 0.000 0.265 388 S C 1.352 175.984 174.600 0.053 0.000 1.303 388 S CA -0.126 58.100 58.200 0.043 0.000 1.000 388 S CB 0.829 64.044 63.200 0.026 0.000 0.935 388 S HN 1.420 nan 8.310 nan 0.000 0.551 389 G N 1.072 109.903 108.800 0.052 0.000 2.446 389 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 389 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 389 G C 1.330 176.252 174.900 0.037 0.000 1.168 389 G CA 1.146 46.280 45.100 0.057 0.000 0.771 389 G HN 0.755 nan 8.290 nan 0.000 0.551 390 K N 0.591 121.005 120.400 0.024 0.000 2.063 390 K HA -0.058 4.262 4.320 -0.000 0.000 0.208 390 K C 2.514 179.117 176.600 0.005 0.000 1.048 390 K CA 1.492 57.786 56.287 0.012 0.000 0.928 390 K CB -0.139 32.366 32.500 0.009 0.000 0.713 390 K HN 0.280 nan 8.250 nan 0.000 0.442 391 K N -0.370 120.033 120.400 0.006 0.000 2.025 391 K HA -0.083 4.237 4.320 -0.000 0.000 0.207 391 K C 1.988 178.574 176.600 -0.022 0.000 1.049 391 K CA 1.442 57.725 56.287 -0.007 0.000 0.933 391 K CB -0.172 32.325 32.500 -0.003 0.000 0.714 391 K HN -0.044 nan 8.250 nan 0.000 0.438 392 V N 1.851 121.757 119.914 -0.014 0.000 2.332 392 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 392 V C 2.116 178.180 176.094 -0.049 0.000 1.055 392 V CA 1.845 64.113 62.300 -0.054 0.000 1.038 392 V CB -0.450 31.380 31.823 0.011 0.000 0.651 392 V HN 0.349 nan 8.190 nan 0.000 0.450 393 E N -0.258 119.935 120.200 -0.012 0.000 2.077 393 E HA -0.269 4.081 4.350 -0.000 0.000 0.193 393 E C 2.343 178.928 176.600 -0.025 0.000 0.989 393 E CA 1.453 57.846 56.400 -0.011 0.000 0.800 393 E CB -0.131 29.571 29.700 0.003 0.000 0.746 393 E HN 0.528 nan 8.360 nan 0.000 0.452 394 K N 0.475 120.860 120.400 -0.025 0.000 2.057 394 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 394 K C 2.199 178.776 176.600 -0.039 0.000 1.049 394 K CA 0.933 57.203 56.287 -0.028 0.000 0.931 394 K CB -0.082 32.404 32.500 -0.023 0.000 0.714 394 K HN 0.061 nan 8.250 nan 0.000 0.440 395 L N 1.617 122.809 121.223 -0.053 0.000 2.027 395 L HA -0.090 4.250 4.340 -0.000 0.000 0.206 395 L C 1.980 178.808 176.870 -0.069 0.000 1.074 395 L CA 1.507 56.307 54.840 -0.067 0.000 0.745 395 L CB -0.315 41.688 42.059 -0.094 0.000 0.898 395 L HN 0.217 nan 8.230 nan 0.000 0.433 396 I N -0.308 120.217 120.570 -0.074 0.000 2.335 396 I HA -0.320 3.850 4.170 -0.000 0.000 0.251 396 I C 2.356 178.441 176.117 -0.053 0.000 1.129 396 I CA 1.581 62.842 61.300 -0.066 0.000 1.402 396 I CB -0.372 37.596 38.000 -0.053 0.000 1.069 396 I HN 0.326 nan 8.210 nan 0.000 0.424 397 K N 1.092 121.465 120.400 -0.046 0.000 2.426 397 K HA -0.073 4.247 4.320 -0.000 0.000 0.193 397 K C 1.936 178.510 176.600 -0.042 0.000 1.028 397 K CA 0.297 56.558 56.287 -0.042 0.000 1.047 397 K CB 0.216 32.696 32.500 -0.034 0.000 0.821 397 K HN 0.106 nan 8.250 nan 0.000 0.513 398 K N 0.634 121.008 120.400 -0.043 0.000 2.103 398 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 398 K C 0.597 177.173 176.600 -0.041 0.000 1.048 398 K CA 1.103 57.367 56.287 -0.039 0.000 0.930 398 K CB 0.127 32.602 32.500 -0.040 0.000 0.716 398 K HN -0.033 nan 8.250 nan 0.000 0.444 399 Q N 0.242 120.012 119.800 -0.050 0.000 2.423 399 Q HA 0.046 4.386 4.340 -0.000 0.000 0.235 399 Q C 0.202 176.163 176.000 -0.065 0.000 1.100 399 Q CA -0.092 55.678 55.803 -0.056 0.000 0.908 399 Q CB 1.054 29.755 28.738 -0.062 0.000 1.312 399 Q HN 0.190 nan 8.270 nan 0.000 0.497 400 S N 1.890 117.557 115.700 -0.054 0.000 2.527 400 S HA 0.115 4.585 4.470 -0.000 0.000 0.222 400 S C 0.247 174.804 174.600 -0.072 0.000 0.985 400 S CA -0.036 58.129 58.200 -0.058 0.000 0.921 400 S CB 0.073 63.250 63.200 -0.038 0.000 0.772 400 S HN 0.648 nan 8.310 nan 0.000 0.529 401 E N 1.214 121.375 120.200 -0.066 0.000 2.342 401 E HA 0.542 4.892 4.350 -0.000 0.000 0.257 401 E C -0.716 175.786 176.600 -0.163 0.000 1.150 401 E CA -0.374 55.987 56.400 -0.065 0.000 0.926 401 E CB 1.030 30.729 29.700 -0.001 0.000 1.074 401 E HN 0.201 nan 8.360 nan 0.000 0.449 402 S N -0.610 114.962 115.700 -0.213 0.000 2.549 402 S HA 0.307 4.777 4.470 -0.000 0.000 0.280 402 S C -0.384 173.887 174.600 -0.548 0.000 1.109 402 S CA -0.627 57.262 58.200 -0.518 0.000 0.905 402 S CB 1.201 63.962 63.200 -0.730 0.000 1.081 402 S HN 0.856 nan 8.310 nan 0.000 0.477 403 H N 0.326 118.986 119.070 -0.684 0.000 4.793 403 H HA -0.255 4.301 4.556 -0.000 0.000 0.067 403 H C -0.654 174.346 175.328 -0.548 0.000 0.575 403 H CA 2.445 57.904 56.048 -0.982 0.000 1.074 403 H CB -0.760 28.316 29.762 -1.144 0.000 0.820 403 H HN 0.516 nan 8.280 nan 0.000 0.816 404 F N 1.042 121.042 119.950 0.083 0.000 2.482 404 F HA 0.555 5.082 4.527 0.000 0.000 0.331 404 F C 0.200 176.054 175.800 0.091 0.000 1.115 404 F CA -0.284 57.809 58.000 0.155 0.000 0.955 404 F CB 1.934 41.091 39.000 0.261 0.000 1.136 404 F HN 0.203 nan 8.300 nan 0.000 0.452 405 V N -1.220 118.740 119.914 0.077 0.000 3.160 405 V HA 0.625 4.745 4.120 -0.000 0.000 0.310 405 V C -1.086 174.511 176.094 -0.828 0.000 1.181 405 V CA -0.975 61.117 62.300 -0.348 0.000 1.047 405 V CB 1.928 33.633 31.823 -0.197 0.000 1.068 405 V HN 0.548 nan 8.190 nan 0.000 0.441 406 D N 1.426 121.020 120.400 -1.343 0.000 2.382 406 D HA 0.487 5.127 4.640 -0.000 0.000 0.245 406 D C 0.835 176.919 176.300 -0.360 0.000 1.120 406 D CA 0.515 53.952 54.000 -0.939 0.000 0.890 406 D CB 1.837 42.248 40.800 -0.648 0.000 1.201 406 D HN 1.094 nan 8.370 nan 0.000 0.433 407 A N 4.131 126.839 122.820 -0.187 0.000 2.478 407 A HA 0.070 4.390 4.320 -0.000 0.000 0.239 407 A C 0.147 177.690 177.584 -0.068 0.000 1.480 407 A CA 0.242 52.226 52.037 -0.088 0.000 1.308 407 A CB -0.526 18.455 19.000 -0.032 0.000 0.899 407 A HN 0.539 nan 8.150 nan 0.000 0.600 408 Q N 0.103 119.849 119.800 -0.091 0.000 2.271 408 Q HA 0.411 4.751 4.340 -0.000 0.000 0.268 408 Q C -2.536 173.430 176.000 -0.057 0.000 1.021 408 Q CA -1.640 54.130 55.803 -0.055 0.000 0.802 408 Q CB 1.700 30.416 28.738 -0.036 0.000 1.282 408 Q HN 0.288 nan 8.270 nan 0.000 0.431 409 P HA 0.000 nan 4.420 nan 0.000 0.216 409 P CA 0.000 63.078 63.100 -0.036 0.000 0.800 409 P CB 0.000 31.683 31.700 -0.028 0.000 0.726