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 2vdq_1_A DATA FIRST_RESID 1 DATA SEQUENCE LNLDPVQLTF YAGPNGSQFG FSLDFHKDSH GRVAIVVGAP RTLGPSQEET DATA SEQUENCE GGVFLcPWRA EGGQcPSLLF DLRDETRNVG SQTLQTFKAR QGLGASVVSW DATA SEQUENCE SDVIVAcAPW QHWNVLEKTE EAEKTPVGSc FLAQPESGRR AEYSPcRGNT DATA SEQUENCE LSRIYVENDF SWDKRYcEAG FSSVVTQAGE LVLGAPGGYY FLGLLAQAPV DATA SEQUENCE ADIFSSYRPG ILLWHVSSQS LSFDSSNPEY FDGYWGYSVA VGEFDGDLNT DATA SEQUENCE TEYVVGAPTW SWTLGAVEIL DSYYQRLHRL RGEQMASYFG HSVAVTDVNG DATA SEQUENCE DGRHDLLVGA PLYMESRADR KLAEVGRVYL FLQPRGPHAL GAPSLLLTGT DATA SEQUENCE QLYGRFGSAI APLGDLDRDG YNDIAVAAPY GGPSGRGQVL VFLGQSEGLR DATA SEQUENCE SRPSQVLDSP FPTGSAFGFS LRGAVDIDDN GYPDLIVGAY GANQVAVYRA DATA SEQUENCE QP 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 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.868 176.870 -0.003 0.000 1.165 1 L CA 0.000 54.837 54.840 -0.004 0.000 0.813 1 L CB 0.000 42.068 42.059 0.015 0.000 0.961 2 N N 0.082 118.785 118.700 0.004 0.000 2.305 2 N HA 0.218 4.958 4.740 -0.000 0.000 0.248 2 N C -0.463 175.043 175.510 -0.007 0.000 1.290 2 N CA -0.247 52.796 53.050 -0.012 0.000 0.873 2 N CB 0.332 38.800 38.487 -0.032 0.000 1.261 2 N HN 0.263 nan 8.380 nan 0.000 0.504 3 L N 1.269 122.503 121.223 0.018 0.000 2.360 3 L HA 0.155 4.494 4.340 -0.000 0.000 0.276 3 L C 0.149 177.067 176.870 0.081 0.000 1.121 3 L CA -0.229 54.647 54.840 0.059 0.000 0.845 3 L CB 0.481 42.571 42.059 0.051 0.000 1.143 3 L HN 0.055 nan 8.230 nan 0.000 0.452 4 D N 5.398 125.859 120.400 0.102 0.000 2.336 4 D HA 0.135 4.775 4.640 -0.000 0.000 0.249 4 D C -1.521 174.879 176.300 0.167 0.000 1.213 4 D CA -1.308 52.745 54.000 0.087 0.000 0.870 4 D CB 1.120 41.945 40.800 0.042 0.000 1.076 4 D HN 0.242 nan 8.370 nan 0.000 0.483 5 P HA -0.018 nan 4.420 nan 0.000 0.245 5 P C 0.983 178.342 177.300 0.098 0.000 1.203 5 P CA 0.076 63.309 63.100 0.221 0.000 0.792 5 P CB 0.521 32.311 31.700 0.150 0.000 0.997 6 V N 0.203 120.141 119.914 0.041 0.000 2.379 6 V HA -0.062 4.058 4.120 -0.000 0.000 0.243 6 V C 1.511 177.584 176.094 -0.034 0.000 1.035 6 V CA 1.403 63.705 62.300 0.005 0.000 1.035 6 V CB -0.964 30.861 31.823 0.004 0.000 0.673 6 V HN 0.096 nan 8.190 nan 0.000 0.457 7 Q N 1.506 121.282 119.800 -0.041 0.000 3.207 7 Q HA 0.348 4.688 4.340 -0.000 0.000 0.335 7 Q C -0.421 175.488 176.000 -0.153 0.000 1.374 7 Q CA 0.083 55.844 55.803 -0.069 0.000 1.023 7 Q CB 0.066 28.788 28.738 -0.026 0.000 1.576 7 Q HN 0.515 nan 8.270 nan 0.000 0.515 8 L N 0.573 121.620 121.223 -0.294 0.000 2.436 8 L HA 0.328 4.668 4.340 -0.000 0.000 0.265 8 L C 0.494 177.007 176.870 -0.595 0.000 1.168 8 L CA 0.015 54.502 54.840 -0.587 0.000 0.815 8 L CB 0.467 41.954 42.059 -0.954 0.000 1.109 8 L HN 0.073 nan 8.230 nan 0.000 0.462 9 T N 1.839 116.059 114.554 -0.557 0.000 2.779 9 T HA 0.534 4.884 4.350 -0.000 0.000 0.280 9 T C -0.592 173.797 174.700 -0.518 0.000 0.987 9 T CA -0.255 61.584 62.100 -0.436 0.000 0.966 9 T CB 0.638 69.427 68.868 -0.131 0.000 0.933 9 T HN 0.141 nan 8.240 nan 0.000 0.442 10 F N 2.469 122.335 119.950 -0.141 0.000 2.427 10 F HA 0.535 5.062 4.527 -0.000 0.000 0.346 10 F C -0.312 175.397 175.800 -0.151 0.000 1.120 10 F CA -1.035 56.958 58.000 -0.011 0.000 1.033 10 F CB 1.112 40.142 39.000 0.050 0.000 1.126 10 F HN 0.484 nan 8.300 nan 0.000 0.462 11 Y N 1.818 122.325 120.300 0.346 0.000 2.409 11 Y HA 0.708 5.258 4.550 -0.000 0.000 0.339 11 Y C 0.001 175.976 175.900 0.125 0.000 1.033 11 Y CA -1.053 57.187 58.100 0.233 0.000 1.094 11 Y CB 1.929 40.591 38.460 0.336 0.000 1.210 11 Y HN 0.630 nan 8.280 nan 0.000 0.456 12 A N 1.620 124.373 122.820 -0.112 0.000 2.371 12 A HA 0.835 5.155 4.320 -0.000 0.000 0.311 12 A C -0.117 176.741 177.584 -1.210 0.000 1.068 12 A CA -0.197 51.536 52.037 -0.507 0.000 0.744 12 A CB 0.936 19.794 19.000 -0.237 0.000 1.239 12 A HN 0.866 nan 8.150 nan 0.000 0.435 13 G N 0.603 108.431 108.800 -1.620 0.000 2.753 13 G HA2 0.731 4.691 3.960 -0.000 0.000 0.285 13 G HA3 0.731 4.691 3.960 -0.000 0.000 0.285 13 G C -2.938 171.668 174.900 -0.491 0.000 1.344 13 G CA -1.720 42.608 45.100 -1.287 0.000 1.050 13 G HN 0.531 nan 8.290 nan 0.000 0.532 14 P HA 0.166 nan 4.420 nan 0.000 0.274 14 P C -0.325 176.950 177.300 -0.042 0.000 1.231 14 P CA -0.788 62.253 63.100 -0.099 0.000 0.790 14 P CB 0.526 32.225 31.700 -0.002 0.000 0.951 15 N N 1.051 119.733 118.700 -0.029 0.000 2.357 15 N HA 0.119 4.859 4.740 -0.000 0.000 0.257 15 N C 1.579 177.103 175.510 0.023 0.000 1.250 15 N CA 1.937 54.984 53.050 -0.006 0.000 0.862 15 N CB -0.353 38.129 38.487 -0.008 0.000 1.066 15 N HN 0.758 nan 8.380 nan 0.000 0.468 16 G N 0.791 109.614 108.800 0.038 0.000 2.184 16 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.264 16 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.264 16 G C 0.987 175.932 174.900 0.076 0.000 0.975 16 G CA 1.011 46.142 45.100 0.052 0.000 0.642 16 G HN 0.730 nan 8.290 nan 0.000 0.536 17 S N -0.703 115.059 115.700 0.103 0.000 2.496 17 S HA 0.159 4.629 4.470 -0.000 0.000 0.224 17 S C 1.350 176.054 174.600 0.173 0.000 0.996 17 S CA 1.298 59.585 58.200 0.146 0.000 0.927 17 S CB -0.175 63.144 63.200 0.198 0.000 0.774 17 S HN 1.128 nan 8.310 nan 0.000 0.524 18 Q N -0.569 119.352 119.800 0.201 0.000 2.481 18 Q HA -0.199 4.141 4.340 -0.000 0.000 0.258 18 Q C -0.449 175.744 176.000 0.322 0.000 0.961 18 Q CA 0.569 56.536 55.803 0.274 0.000 1.121 18 Q CB -2.543 26.280 28.738 0.142 0.000 1.503 18 Q HN 0.726 nan 8.270 nan 0.000 0.544 19 F N 1.041 121.073 119.950 0.137 0.000 2.549 19 F HA 0.139 4.666 4.527 -0.000 0.000 0.400 19 F C 1.446 177.331 175.800 0.141 0.000 1.011 19 F CA 2.265 60.331 58.000 0.109 0.000 1.148 19 F CB 0.180 39.160 39.000 -0.033 0.000 0.993 19 F HN 0.315 nan 8.300 nan 0.000 0.540 20 G N 4.834 113.559 108.800 -0.126 0.000 2.211 20 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.201 20 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.201 20 G C 0.713 175.720 174.900 0.179 0.000 0.997 20 G CA 0.076 45.171 45.100 -0.007 0.000 0.652 20 G HN 0.712 nan 8.290 nan 0.000 0.500 21 F N 2.705 122.715 119.950 0.100 0.000 2.161 21 F HA 0.212 4.739 4.527 -0.000 0.000 0.300 21 F C 1.526 177.408 175.800 0.136 0.000 1.089 21 F CA 2.359 60.435 58.000 0.128 0.000 1.282 21 F CB 0.185 39.148 39.000 -0.061 0.000 1.010 21 F HN 0.593 nan 8.300 nan 0.000 0.485 22 S N -0.173 115.644 115.700 0.195 0.000 2.556 22 S HA 0.715 5.185 4.470 -0.000 0.000 0.271 22 S C -1.274 173.307 174.600 -0.032 0.000 1.135 22 S CA -0.561 57.672 58.200 0.055 0.000 0.858 22 S CB 2.322 65.580 63.200 0.097 0.000 1.114 22 S HN 0.286 nan 8.310 nan 0.000 0.468 23 L N -1.151 120.029 121.223 -0.073 0.000 2.775 23 L HA 1.006 5.346 4.340 -0.000 0.000 0.263 23 L C -1.425 175.366 176.870 -0.131 0.000 1.017 23 L CA -0.558 54.208 54.840 -0.123 0.000 0.891 23 L CB 0.800 42.756 42.059 -0.172 0.000 1.482 23 L HN 0.837 nan 8.230 nan 0.000 0.410 24 D N -0.778 119.522 120.400 -0.166 0.000 2.653 24 D HA 0.580 5.220 4.640 -0.000 0.000 0.258 24 D C -1.665 174.517 176.300 -0.195 0.000 1.252 24 D CA -0.273 53.644 54.000 -0.138 0.000 0.777 24 D CB 1.507 42.318 40.800 0.019 0.000 1.339 24 D HN 0.385 nan 8.370 nan 0.000 0.422 25 F N 1.195 121.181 119.950 0.059 0.000 2.399 25 F HA 0.397 4.924 4.527 -0.000 0.000 0.342 25 F C 0.518 176.387 175.800 0.116 0.000 1.106 25 F CA -0.158 57.881 58.000 0.065 0.000 1.196 25 F CB 0.897 39.913 39.000 0.025 0.000 1.163 25 F HN 0.240 nan 8.300 nan 0.000 0.547 26 H N 2.286 121.473 119.070 0.196 0.000 2.689 26 H HA 0.390 4.946 4.556 -0.000 0.000 0.346 26 H C -1.257 174.132 175.328 0.102 0.000 1.037 26 H CA -0.954 55.168 56.048 0.123 0.000 1.234 26 H CB 1.295 31.111 29.762 0.091 0.000 1.572 26 H HN 0.583 nan 8.280 nan 0.000 0.524 27 K N 4.034 124.102 120.400 -0.552 0.000 2.307 27 K HA 0.200 4.520 4.320 -0.000 0.000 0.263 27 K C -0.740 175.529 176.600 -0.551 0.000 0.973 27 K CA -0.930 55.128 56.287 -0.382 0.000 0.846 27 K CB 0.728 33.095 32.500 -0.221 0.000 1.100 27 K HN 0.827 nan 8.250 nan 0.000 0.438 28 D N 1.816 122.064 120.400 -0.253 0.000 2.433 28 D HA -0.035 4.605 4.640 -0.000 0.000 0.255 28 D C 0.981 177.235 176.300 -0.077 0.000 1.226 28 D CA -0.299 53.645 54.000 -0.092 0.000 1.015 28 D CB 0.828 41.682 40.800 0.090 0.000 1.091 28 D HN 0.410 nan 8.370 nan 0.000 0.527 29 S N -0.774 114.897 115.700 -0.050 0.000 2.400 29 S HA -0.265 4.205 4.470 -0.000 0.000 0.232 29 S C 1.509 176.006 174.600 -0.173 0.000 1.025 29 S CA 1.187 59.306 58.200 -0.136 0.000 0.993 29 S CB -0.951 62.143 63.200 -0.176 0.000 0.808 29 S HN 0.605 nan 8.310 nan 0.000 0.478 30 H N 1.239 120.286 119.070 -0.039 0.000 2.547 30 H HA 0.339 4.895 4.556 -0.000 0.000 0.272 30 H C 1.853 177.160 175.328 -0.035 0.000 0.989 30 H CA 0.646 56.678 56.048 -0.028 0.000 1.214 30 H CB -0.170 29.587 29.762 -0.008 0.000 1.389 30 H HN 0.619 nan 8.280 nan 0.000 0.577 31 G N 0.366 109.188 108.800 0.037 0.000 2.176 31 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.232 31 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.232 31 G C 0.452 175.354 174.900 0.004 0.000 0.986 31 G CA -0.025 45.069 45.100 -0.010 0.000 0.643 31 G HN 0.380 nan 8.290 nan 0.000 0.522 32 R N 0.916 121.444 120.500 0.047 0.000 2.370 32 R HA 0.494 4.834 4.340 -0.000 0.000 0.309 32 R C 0.277 176.609 176.300 0.055 0.000 1.059 32 R CA 0.014 56.151 56.100 0.062 0.000 0.981 32 R CB 0.604 30.956 30.300 0.086 0.000 0.972 32 R HN 0.187 nan 8.270 nan 0.000 0.437 33 V N 5.361 125.315 119.914 0.067 0.000 2.406 33 V HA 0.551 4.671 4.120 -0.000 0.000 0.272 33 V C 0.505 176.713 176.094 0.190 0.000 1.043 33 V CA 0.004 62.357 62.300 0.090 0.000 0.915 33 V CB 0.653 32.500 31.823 0.041 0.000 0.988 33 V HN 0.979 nan 8.190 nan 0.000 0.466 34 A N 6.068 129.017 122.820 0.214 0.000 2.373 34 A HA 0.933 5.252 4.320 -0.000 0.000 0.291 34 A C -0.625 177.083 177.584 0.207 0.000 1.171 34 A CA -0.771 51.403 52.037 0.229 0.000 0.922 34 A CB 1.063 20.192 19.000 0.214 0.000 1.400 34 A HN 0.697 nan 8.150 nan 0.000 0.474 35 I N 0.456 121.081 120.570 0.091 0.000 2.410 35 I HA 0.328 4.498 4.170 -0.000 0.000 0.286 35 I C -0.557 175.537 176.117 -0.037 0.000 1.009 35 I CA -0.734 60.550 61.300 -0.028 0.000 1.111 35 I CB 1.750 39.657 38.000 -0.154 0.000 1.262 35 I HN 0.347 nan 8.210 nan 0.000 0.443 36 V N 8.357 128.260 119.914 -0.019 0.000 2.461 36 V HA 0.418 4.538 4.120 -0.000 0.000 0.275 36 V C -0.313 175.736 176.094 -0.076 0.000 1.047 36 V CA 0.007 62.297 62.300 -0.017 0.000 0.955 36 V CB 1.566 33.392 31.823 0.005 0.000 0.988 36 V HN 0.457 nan 8.190 nan 0.000 0.471 37 V N 6.382 126.254 119.914 -0.069 0.000 2.540 37 V HA 0.671 4.790 4.120 -0.000 0.000 0.302 37 V C 0.643 176.692 176.094 -0.076 0.000 1.035 37 V CA -0.177 61.998 62.300 -0.208 0.000 0.873 37 V CB 1.601 33.062 31.823 -0.604 0.000 0.992 37 V HN 1.001 nan 8.190 nan 0.000 0.428 38 G N 2.696 111.454 108.800 -0.070 0.000 2.356 38 G HA2 0.607 4.567 3.960 -0.000 0.000 0.298 38 G HA3 0.607 4.567 3.960 -0.000 0.000 0.298 38 G C -0.166 174.777 174.900 0.071 0.000 1.145 38 G CA -0.065 45.049 45.100 0.023 0.000 0.850 38 G HN 1.190 nan 8.290 nan 0.000 0.487 39 A N 4.303 127.213 122.820 0.150 0.000 3.216 39 A HA 0.636 4.955 4.320 -0.000 0.000 0.321 39 A C -1.479 176.170 177.584 0.109 0.000 1.042 39 A CA -1.085 51.088 52.037 0.226 0.000 0.838 39 A CB 1.396 20.711 19.000 0.525 0.000 1.136 39 A HN 0.438 nan 8.150 nan 0.000 0.483 40 P HA -0.123 nan 4.420 nan 0.000 0.228 40 P C 0.675 177.952 177.300 -0.038 0.000 1.151 40 P CA 0.971 64.017 63.100 -0.089 0.000 0.770 40 P CB 0.174 31.701 31.700 -0.289 0.000 0.786 41 R N -0.890 119.607 120.500 -0.005 0.000 2.546 41 R HA 0.199 4.539 4.340 -0.000 0.000 0.320 41 R C 0.150 176.484 176.300 0.056 0.000 1.021 41 R CA -0.047 56.060 56.100 0.011 0.000 1.088 41 R CB -0.002 30.293 30.300 -0.008 0.000 1.278 41 R HN 0.073 nan 8.270 nan 0.000 0.557 42 T N 2.336 116.947 114.554 0.095 0.000 2.934 42 T HA 0.073 4.423 4.350 -0.000 0.000 0.306 42 T C 0.668 175.413 174.700 0.075 0.000 1.042 42 T CA 0.226 62.403 62.100 0.127 0.000 1.145 42 T CB 0.792 69.771 68.868 0.185 0.000 0.982 42 T HN 0.112 nan 8.240 nan 0.000 0.544 43 L N 3.089 124.356 121.223 0.073 0.000 2.410 43 L HA 0.326 4.666 4.340 -0.000 0.000 0.273 43 L C 1.500 178.396 176.870 0.043 0.000 1.152 43 L CA -0.497 54.372 54.840 0.049 0.000 0.855 43 L CB 0.067 42.152 42.059 0.044 0.000 1.129 43 L HN 0.786 nan 8.230 nan 0.000 0.463 44 G N 3.170 111.988 108.800 0.030 0.000 2.611 44 G HA2 0.172 4.132 3.960 -0.000 0.000 0.273 44 G HA3 0.172 4.132 3.960 -0.000 0.000 0.273 44 G C -1.493 173.421 174.900 0.023 0.000 1.305 44 G CA -0.697 44.415 45.100 0.021 0.000 1.010 44 G HN 0.595 nan 8.290 nan 0.000 0.509 45 P HA 0.065 nan 4.420 nan 0.000 0.242 45 P C 0.707 178.019 177.300 0.019 0.000 1.197 45 P CA 0.620 63.730 63.100 0.018 0.000 0.765 45 P CB 0.539 32.247 31.700 0.014 0.000 0.936 46 S N -0.579 115.134 115.700 0.021 0.000 2.651 46 S HA 0.165 4.635 4.470 -0.000 0.000 0.246 46 S C 0.427 175.040 174.600 0.021 0.000 1.039 46 S CA -0.327 57.886 58.200 0.021 0.000 1.013 46 S CB -0.127 63.086 63.200 0.022 0.000 0.861 46 S HN 0.091 nan 8.310 nan 0.000 0.485 47 Q N 0.639 120.452 119.800 0.021 0.000 2.494 47 Q HA -0.217 4.123 4.340 -0.000 0.000 0.266 47 Q C -0.208 175.805 176.000 0.020 0.000 1.053 47 Q CA 0.962 56.778 55.803 0.021 0.000 1.029 47 Q CB -0.926 27.822 28.738 0.017 0.000 1.423 47 Q HN 0.673 nan 8.270 nan 0.000 0.516 48 E N 0.344 120.559 120.200 0.024 0.000 2.199 48 E HA 0.266 4.616 4.350 -0.000 0.000 0.269 48 E C -0.874 175.742 176.600 0.027 0.000 0.899 48 E CA -0.529 55.885 56.400 0.024 0.000 0.772 48 E CB 1.086 30.803 29.700 0.030 0.000 1.155 48 E HN 0.137 nan 8.360 nan 0.000 0.408 49 E N 1.733 121.947 120.200 0.023 0.000 2.415 49 E HA -0.014 4.336 4.350 -0.000 0.000 0.260 49 E C 0.344 176.964 176.600 0.034 0.000 1.016 49 E CA 0.555 56.970 56.400 0.024 0.000 0.924 49 E CB 0.732 30.438 29.700 0.011 0.000 0.961 49 E HN 0.617 nan 8.360 nan 0.000 0.459 50 T N 0.080 114.652 114.554 0.030 0.000 2.964 50 T HA 0.376 4.726 4.350 -0.000 0.000 0.250 50 T C 0.839 175.542 174.700 0.005 0.000 0.982 50 T CA 0.047 62.164 62.100 0.028 0.000 0.959 50 T CB 0.687 69.561 68.868 0.011 0.000 1.141 50 T HN 0.694 nan 8.240 nan 0.000 0.494 51 G N -0.326 108.476 108.800 0.003 0.000 2.712 51 G HA2 0.429 4.389 3.960 -0.000 0.000 0.683 51 G HA3 0.429 4.389 3.960 -0.000 0.000 0.683 51 G C -0.207 174.667 174.900 -0.045 0.000 1.320 51 G CA -0.475 44.617 45.100 -0.014 0.000 0.847 51 G HN 1.522 nan 8.290 nan 0.000 0.553 52 G N -2.172 106.600 108.800 -0.045 0.000 2.523 52 G HA2 0.781 4.741 3.960 -0.000 0.000 0.291 52 G HA3 0.781 4.741 3.960 -0.000 0.000 0.291 52 G C -1.459 173.356 174.900 -0.142 0.000 1.450 52 G CA 0.404 45.426 45.100 -0.129 0.000 0.790 52 G HN 1.736 nan 8.290 nan 0.000 0.496 53 V N -0.026 119.723 119.914 -0.274 0.000 2.789 53 V HA 0.750 4.870 4.120 -0.000 0.000 0.311 53 V C -1.226 174.623 176.094 -0.408 0.000 1.073 53 V CA -0.668 61.541 62.300 -0.152 0.000 0.921 53 V CB 1.682 33.558 31.823 0.088 0.000 1.009 53 V HN 0.612 nan 8.190 nan 0.000 0.426 54 F N 3.857 123.850 119.950 0.071 0.000 2.540 54 F HA 0.675 5.202 4.527 -0.000 0.000 0.317 54 F C -0.444 175.379 175.800 0.038 0.000 1.104 54 F CA -0.735 57.324 58.000 0.098 0.000 0.913 54 F CB 1.969 41.127 39.000 0.263 0.000 1.170 54 F HN 0.280 nan 8.300 nan 0.000 0.450 55 L N 4.151 125.483 121.223 0.182 0.000 2.294 55 L HA 0.561 4.901 4.340 -0.000 0.000 0.283 55 L C -1.117 175.817 176.870 0.107 0.000 1.015 55 L CA -0.500 54.397 54.840 0.094 0.000 0.831 55 L CB 0.485 42.563 42.059 0.032 0.000 1.217 55 L HN 0.689 nan 8.230 nan 0.000 0.420 56 c N 7.306 125.933 118.600 0.044 0.000 2.255 56 c HA 0.548 5.118 4.570 -0.000 0.000 0.326 56 c C -2.087 172.017 174.090 0.022 0.000 1.258 56 c CA -1.150 55.154 56.329 -0.041 0.000 1.676 56 c CB 0.613 42.877 42.510 -0.411 0.000 2.314 56 c HN 0.628 nan 8.230 nan 0.000 0.509 57 P HA 0.027 nan 4.420 nan 0.000 0.278 57 P C -0.304 177.164 177.300 0.281 0.000 1.238 57 P CA -0.372 62.836 63.100 0.180 0.000 0.794 57 P CB 0.706 32.491 31.700 0.141 0.000 0.955 58 W N 5.612 127.007 121.300 0.158 0.000 2.381 58 W HA 0.135 4.795 4.660 -0.000 0.000 0.321 58 W C -0.927 175.715 176.519 0.205 0.000 1.407 58 W CA -0.096 57.379 57.345 0.218 0.000 1.274 58 W CB 0.332 29.891 29.460 0.165 0.000 1.310 58 W HN 0.406 nan 8.180 nan 0.000 0.551 59 R N 4.426 124.445 120.500 -0.801 0.000 2.604 59 R HA 0.349 4.689 4.340 -0.000 0.000 0.281 59 R C 0.691 176.174 176.300 -1.361 0.000 1.020 59 R CA -0.241 55.274 56.100 -0.976 0.000 0.899 59 R CB 1.807 31.884 30.300 -0.372 0.000 1.205 59 R HN 0.548 nan 8.270 nan 0.000 0.450 60 A N 2.210 124.405 122.820 -1.041 0.000 1.902 60 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 60 A C 1.699 179.036 177.584 -0.411 0.000 1.181 60 A CA 1.703 53.376 52.037 -0.608 0.000 0.623 60 A CB -0.272 18.585 19.000 -0.239 0.000 0.818 60 A HN 0.840 nan 8.150 nan 0.000 0.443 61 E N 0.031 120.021 120.200 -0.351 0.000 2.347 61 E HA 0.205 4.555 4.350 -0.000 0.000 0.196 61 E C 1.248 177.659 176.600 -0.316 0.000 1.008 61 E CA 0.976 57.224 56.400 -0.252 0.000 0.852 61 E CB -1.001 28.595 29.700 -0.174 0.000 0.783 61 E HN 0.898 nan 8.360 nan 0.000 0.505 62 G N 0.876 109.373 108.800 -0.504 0.000 2.566 62 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.280 62 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.280 62 G C 0.646 175.322 174.900 -0.373 0.000 1.225 62 G CA 1.012 45.623 45.100 -0.815 0.000 0.966 62 G HN 1.280 nan 8.290 nan 0.000 0.560 63 G N -2.768 105.875 108.800 -0.263 0.000 2.317 63 G HA2 0.389 4.349 3.960 -0.000 0.000 0.196 63 G HA3 0.389 4.349 3.960 -0.000 0.000 0.196 63 G C -0.397 174.533 174.900 0.050 0.000 1.255 63 G CA 0.640 45.706 45.100 -0.058 0.000 1.243 63 G HN 1.366 nan 8.290 nan 0.000 0.535 64 Q N -0.430 119.393 119.800 0.038 0.000 2.221 64 Q HA 0.642 4.982 4.340 -0.000 0.000 0.242 64 Q C -0.423 175.640 176.000 0.106 0.000 0.940 64 Q CA -0.115 55.692 55.803 0.007 0.000 0.896 64 Q CB 1.701 30.422 28.738 -0.027 0.000 1.226 64 Q HN 0.755 nan 8.270 nan 0.000 0.463 65 c N 1.841 120.493 118.600 0.085 0.000 2.707 65 c HA 0.597 5.167 4.570 -0.000 0.000 0.313 65 c C -2.148 172.109 174.090 0.279 0.000 1.209 65 c CA -1.281 55.167 56.329 0.198 0.000 1.635 65 c CB 1.666 44.337 42.510 0.269 0.000 2.206 65 c HN 0.686 nan 8.230 nan 0.000 0.485 66 P HA 0.158 nan 4.420 nan 0.000 0.275 66 P C -0.594 176.856 177.300 0.249 0.000 1.228 66 P CA 0.251 63.474 63.100 0.205 0.000 0.786 66 P CB 0.739 32.502 31.700 0.105 0.000 0.927 67 S N 2.064 117.834 115.700 0.116 0.000 2.439 67 S HA 0.210 4.680 4.470 -0.000 0.000 0.282 67 S C -0.017 174.456 174.600 -0.213 0.000 1.170 67 S CA -0.692 57.385 58.200 -0.204 0.000 1.054 67 S CB -0.570 62.486 63.200 -0.240 0.000 0.956 67 S HN 0.370 nan 8.310 nan 0.000 0.490 68 L N 7.687 128.749 121.223 -0.268 0.000 2.485 68 L HA 0.331 4.671 4.340 -0.000 0.000 0.279 68 L C -0.287 176.266 176.870 -0.528 0.000 1.124 68 L CA 0.319 54.965 54.840 -0.325 0.000 0.888 68 L CB -0.167 41.739 42.059 -0.255 0.000 1.217 68 L HN 0.631 nan 8.230 nan 0.000 0.464 69 L N 5.422 126.350 121.223 -0.491 0.000 2.456 69 L HA 0.203 4.543 4.340 -0.000 0.000 0.272 69 L C -0.585 175.846 176.870 -0.733 0.000 1.189 69 L CA 0.399 54.977 54.840 -0.436 0.000 0.846 69 L CB 0.276 42.189 42.059 -0.244 0.000 1.111 69 L HN 0.500 nan 8.230 nan 0.000 0.475 70 F N 0.105 119.969 119.950 -0.142 0.000 2.613 70 F HA 0.227 4.754 4.527 -0.000 0.000 0.310 70 F C 0.140 175.884 175.800 -0.095 0.000 1.085 70 F CA -1.219 56.693 58.000 -0.146 0.000 0.945 70 F CB 1.197 39.964 39.000 -0.389 0.000 1.298 70 F HN 0.311 nan 8.300 nan 0.000 0.455 71 D N 2.082 122.623 120.400 0.234 0.000 2.358 71 D HA 0.202 4.842 4.640 -0.000 0.000 0.258 71 D C 0.294 176.683 176.300 0.149 0.000 1.223 71 D CA 0.515 54.622 54.000 0.179 0.000 0.886 71 D CB 0.638 41.574 40.800 0.226 0.000 1.120 71 D HN 0.505 nan 8.370 nan 0.000 0.482 72 L N 3.514 124.784 121.223 0.079 0.000 2.741 72 L HA 0.261 4.601 4.340 -0.000 0.000 0.237 72 L C 0.998 177.915 176.870 0.078 0.000 1.178 72 L CA -0.247 54.630 54.840 0.062 0.000 0.973 72 L CB 0.067 42.136 42.059 0.017 0.000 1.255 72 L HN 0.041 nan 8.230 nan 0.000 0.498 73 R N 0.685 121.236 120.500 0.085 0.000 2.308 73 R HA 0.202 4.542 4.340 -0.000 0.000 0.305 73 R C -0.503 175.836 176.300 0.065 0.000 1.053 73 R CA -0.724 55.414 56.100 0.064 0.000 0.957 73 R CB 0.919 31.250 30.300 0.052 0.000 1.022 73 R HN -0.030 nan 8.270 nan 0.000 0.461 74 D N 2.287 122.705 120.400 0.029 0.000 2.400 74 D HA 0.032 4.672 4.640 -0.000 0.000 0.238 74 D C -0.143 176.132 176.300 -0.042 0.000 1.157 74 D CA 0.546 54.529 54.000 -0.028 0.000 0.889 74 D CB 0.728 41.465 40.800 -0.105 0.000 1.199 74 D HN 0.361 nan 8.370 nan 0.000 0.436 75 E N -0.336 119.821 120.200 -0.072 0.000 2.256 75 E HA 0.601 4.951 4.350 -0.000 0.000 0.267 75 E C -0.860 175.675 176.600 -0.110 0.000 0.892 75 E CA -0.809 55.565 56.400 -0.044 0.000 0.775 75 E CB 2.027 31.746 29.700 0.032 0.000 1.207 75 E HN 0.151 nan 8.360 nan 0.000 0.420 76 T N 1.722 116.229 114.554 -0.078 0.000 2.916 76 T HA 0.479 4.829 4.350 -0.000 0.000 0.298 76 T C -1.061 173.611 174.700 -0.046 0.000 1.031 76 T CA -0.757 61.286 62.100 -0.095 0.000 0.993 76 T CB 1.270 70.081 68.868 -0.095 0.000 1.045 76 T HN 0.276 nan 8.240 nan 0.000 0.454 77 R N 2.796 123.271 120.500 -0.042 0.000 2.502 77 R HA 0.318 4.657 4.340 -0.000 0.000 0.298 77 R C -1.190 175.099 176.300 -0.018 0.000 1.018 77 R CA -0.657 55.435 56.100 -0.013 0.000 0.899 77 R CB 0.644 30.958 30.300 0.023 0.000 1.181 77 R HN 0.533 nan 8.270 nan 0.000 0.444 78 N N 3.664 122.355 118.700 -0.015 0.000 2.469 78 N HA 0.201 4.941 4.740 -0.000 0.000 0.239 78 N C -1.109 174.400 175.510 -0.000 0.000 1.053 78 N CA -0.024 53.020 53.050 -0.011 0.000 0.937 78 N CB 1.910 40.390 38.487 -0.012 0.000 1.163 78 N HN 0.258 nan 8.380 nan 0.000 0.509 79 V N 0.275 120.193 119.914 0.006 0.000 3.048 79 V HA 0.593 4.713 4.120 -0.000 0.000 0.303 79 V C 0.609 176.715 176.094 0.019 0.000 1.214 79 V CA -0.153 62.156 62.300 0.015 0.000 0.984 79 V CB 1.652 33.490 31.823 0.025 0.000 1.054 79 V HN 0.817 nan 8.190 nan 0.000 0.430 80 G N 4.014 112.825 108.800 0.019 0.000 2.283 80 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.280 80 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.280 80 G C 0.626 175.535 174.900 0.015 0.000 1.029 80 G CA 1.125 46.237 45.100 0.020 0.000 0.840 80 G HN 2.069 nan 8.290 nan 0.000 0.505 81 S N -2.073 113.633 115.700 0.010 0.000 3.521 81 S HA -0.214 4.256 4.470 -0.000 0.000 0.328 81 S C 0.620 175.223 174.600 0.005 0.000 1.165 81 S CA 2.142 60.346 58.200 0.006 0.000 0.941 81 S CB -0.956 62.248 63.200 0.007 0.000 0.951 81 S HN 1.134 nan 8.310 nan 0.000 0.539 82 Q N -0.577 119.226 119.800 0.004 0.000 2.496 82 Q HA 0.619 4.959 4.340 -0.000 0.000 0.286 82 Q C -0.733 175.256 176.000 -0.018 0.000 1.103 82 Q CA -0.841 54.960 55.803 -0.003 0.000 0.813 82 Q CB 1.828 30.570 28.738 0.007 0.000 1.444 82 Q HN 0.191 nan 8.270 nan 0.000 0.443 83 T N 1.684 116.214 114.554 -0.041 0.000 2.833 83 T HA 0.453 4.803 4.350 -0.000 0.000 0.297 83 T C -0.476 174.142 174.700 -0.137 0.000 1.015 83 T CA -0.520 61.539 62.100 -0.067 0.000 0.963 83 T CB 0.215 69.049 68.868 -0.057 0.000 0.955 83 T HN 0.251 nan 8.240 nan 0.000 0.449 84 L N 3.553 124.682 121.223 -0.157 0.000 2.312 84 L HA 0.555 4.895 4.340 -0.000 0.000 0.281 84 L C 0.274 176.918 176.870 -0.376 0.000 1.070 84 L CA -0.717 53.921 54.840 -0.337 0.000 0.805 84 L CB 0.842 42.831 42.059 -0.116 0.000 1.174 84 L HN 0.481 nan 8.230 nan 0.000 0.434 85 Q N 1.684 121.107 119.800 -0.628 0.000 2.305 85 Q HA 0.410 4.750 4.340 -0.000 0.000 0.271 85 Q C -0.761 174.971 176.000 -0.446 0.000 1.046 85 Q CA -0.696 54.805 55.803 -0.503 0.000 0.798 85 Q CB 2.883 31.377 28.738 -0.407 0.000 1.286 85 Q HN 0.726 nan 8.270 nan 0.000 0.435 86 T N -1.082 113.281 114.554 -0.320 0.000 2.859 86 T HA 0.750 5.100 4.350 -0.000 0.000 0.281 86 T C -0.652 173.820 174.700 -0.381 0.000 1.005 86 T CA -0.489 61.581 62.100 -0.050 0.000 1.025 86 T CB 0.541 69.505 68.868 0.160 0.000 0.977 86 T HN 0.325 nan 8.240 nan 0.000 0.458 87 F N 1.335 121.395 119.950 0.183 0.000 2.496 87 F HA 0.484 5.011 4.527 -0.000 0.000 0.341 87 F C 1.126 177.031 175.800 0.175 0.000 1.134 87 F CA -0.972 57.115 58.000 0.145 0.000 0.968 87 F CB 2.241 41.314 39.000 0.120 0.000 1.205 87 F HN 0.577 nan 8.300 nan 0.000 0.436 88 K N 1.758 122.320 120.400 0.268 0.000 2.353 88 K HA 0.354 4.674 4.320 -0.000 0.000 0.195 88 K C 0.670 177.380 176.600 0.183 0.000 1.031 88 K CA -0.109 56.312 56.287 0.224 0.000 1.079 88 K CB 0.623 33.230 32.500 0.179 0.000 0.857 88 K HN 0.597 nan 8.250 nan 0.000 0.535 89 A N 2.021 124.947 122.820 0.177 0.000 2.488 89 A HA 0.094 4.414 4.320 -0.000 0.000 0.249 89 A C 0.249 177.904 177.584 0.118 0.000 1.083 89 A CA 0.003 52.110 52.037 0.118 0.000 0.768 89 A CB 0.071 19.126 19.000 0.091 0.000 1.017 89 A HN 0.388 nan 8.150 nan 0.000 0.496 90 R N 0.585 121.138 120.500 0.088 0.000 3.875 90 R HA -0.242 4.098 4.340 -0.000 0.000 0.321 90 R C 1.042 177.460 176.300 0.195 0.000 1.196 90 R CA 1.533 57.684 56.100 0.084 0.000 0.868 90 R CB -2.518 27.797 30.300 0.025 0.000 1.333 90 R HN 1.098 nan 8.270 nan 0.000 0.522 91 Q N 0.208 120.139 119.800 0.218 0.000 2.369 91 Q HA 0.046 4.386 4.340 -0.000 0.000 0.206 91 Q C 1.077 177.252 176.000 0.291 0.000 0.963 91 Q CA 1.159 57.133 55.803 0.284 0.000 0.894 91 Q CB 0.159 29.028 28.738 0.218 0.000 0.965 91 Q HN 0.441 nan 8.270 nan 0.000 0.475 92 G N 1.959 110.901 108.800 0.236 0.000 2.298 92 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.287 92 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.287 92 G C -0.303 174.581 174.900 -0.027 0.000 1.075 92 G CA 0.145 45.360 45.100 0.192 0.000 0.960 92 G HN 0.435 nan 8.290 nan 0.000 0.502 93 L N 0.068 121.257 121.223 -0.057 0.000 2.584 93 L HA 0.476 4.816 4.340 -0.000 0.000 0.272 93 L C 1.495 178.278 176.870 -0.146 0.000 1.195 93 L CA 1.891 56.636 54.840 -0.159 0.000 0.920 93 L CB 0.334 42.221 42.059 -0.286 0.000 1.173 93 L HN 1.694 nan 8.230 nan 0.000 0.489 94 G N 2.897 111.604 108.800 -0.155 0.000 2.159 94 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.227 94 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.227 94 G C 0.879 175.734 174.900 -0.074 0.000 0.986 94 G CA 0.303 45.346 45.100 -0.095 0.000 0.651 94 G HN 1.281 nan 8.290 nan 0.000 0.523 95 A N -0.360 122.354 122.820 -0.178 0.000 2.019 95 A HA 0.468 4.787 4.320 -0.000 0.000 0.219 95 A C 1.655 179.240 177.584 0.001 0.000 1.164 95 A CA 2.343 54.257 52.037 -0.205 0.000 0.644 95 A CB -0.229 18.459 19.000 -0.520 0.000 0.805 95 A HN 2.132 nan 8.150 nan 0.000 0.449 96 S N -1.453 114.188 115.700 -0.099 0.000 2.541 96 S HA 0.628 5.098 4.470 -0.000 0.000 0.280 96 S C -0.830 173.735 174.600 -0.059 0.000 1.112 96 S CA -0.086 58.075 58.200 -0.064 0.000 0.925 96 S CB 1.628 64.758 63.200 -0.116 0.000 1.067 96 S HN 1.329 nan 8.310 nan 0.000 0.479 97 V N -0.435 119.460 119.914 -0.032 0.000 2.841 97 V HA 0.999 5.119 4.120 -0.000 0.000 0.310 97 V C -0.791 175.304 176.094 0.002 0.000 1.090 97 V CA -0.737 61.552 62.300 -0.018 0.000 0.930 97 V CB 1.100 32.917 31.823 -0.010 0.000 1.014 97 V HN 1.267 nan 8.190 nan 0.000 0.425 98 V N 2.555 122.488 119.914 0.032 0.000 2.932 98 V HA 0.817 4.937 4.120 -0.000 0.000 0.307 98 V C -0.510 175.665 176.094 0.134 0.000 1.147 98 V CA 0.367 62.709 62.300 0.070 0.000 0.951 98 V CB 2.466 34.320 31.823 0.052 0.000 1.031 98 V HN 1.456 nan 8.190 nan 0.000 0.426 99 S N 5.369 121.183 115.700 0.189 0.000 2.501 99 S HA 0.801 5.271 4.470 -0.000 0.000 0.301 99 S C -1.639 173.166 174.600 0.341 0.000 1.096 99 S CA -0.428 57.942 58.200 0.283 0.000 1.063 99 S CB 1.268 64.674 63.200 0.343 0.000 1.042 99 S HN 0.989 nan 8.310 nan 0.000 0.494 100 W N 4.327 125.720 121.300 0.155 0.000 3.211 100 W HA 0.506 5.166 4.660 -0.000 0.000 0.335 100 W C 0.258 176.841 176.519 0.106 0.000 1.113 100 W CA 0.447 57.855 57.345 0.104 0.000 1.235 100 W CB 1.041 30.547 29.460 0.078 0.000 1.365 100 W HN 0.966 nan 8.180 nan 0.000 0.476 101 S N 2.674 117.829 115.700 -0.908 0.000 4.050 101 S HA -0.371 4.099 4.470 -0.000 0.000 0.602 101 S C 0.783 175.188 174.600 -0.325 0.000 2.030 101 S CA 2.240 59.941 58.200 -0.832 0.000 4.208 101 S CB -1.231 61.131 63.200 -1.397 0.000 0.290 101 S HN 1.004 nan 8.310 nan 0.000 0.615 102 D N 1.905 122.187 120.400 -0.197 0.000 2.395 102 D HA 0.388 5.028 4.640 -0.000 0.000 0.226 102 D C 0.144 176.580 176.300 0.226 0.000 1.146 102 D CA 0.069 54.096 54.000 0.044 0.000 0.830 102 D CB -0.243 40.540 40.800 -0.030 0.000 0.958 102 D HN 0.374 nan 8.370 nan 0.000 0.501 103 V N 0.837 120.912 119.914 0.268 0.000 2.628 103 V HA 0.410 4.530 4.120 -0.000 0.000 0.306 103 V C 0.102 176.370 176.094 0.291 0.000 1.045 103 V CA -0.884 61.606 62.300 0.315 0.000 0.905 103 V CB 2.280 34.372 31.823 0.450 0.000 0.997 103 V HN 0.064 nan 8.190 nan 0.000 0.436 104 I N 4.064 124.746 120.570 0.187 0.000 2.378 104 I HA 0.473 4.643 4.170 -0.000 0.000 0.291 104 I C -0.784 175.436 176.117 0.172 0.000 0.992 104 I CA -0.759 60.618 61.300 0.128 0.000 1.154 104 I CB 2.072 40.073 38.000 0.002 0.000 1.315 104 I HN 0.264 nan 8.210 nan 0.000 0.448 105 V N 5.952 125.942 119.914 0.126 0.000 2.334 105 V HA 0.633 4.753 4.120 -0.000 0.000 0.281 105 V C 0.123 176.222 176.094 0.009 0.000 1.016 105 V CA -0.484 61.854 62.300 0.063 0.000 0.832 105 V CB 1.284 33.134 31.823 0.045 0.000 0.999 105 V HN 0.801 nan 8.190 nan 0.000 0.439 106 A N 4.427 127.216 122.820 -0.052 0.000 2.318 106 A HA 0.733 5.053 4.320 -0.000 0.000 0.317 106 A C -0.404 177.111 177.584 -0.116 0.000 1.159 106 A CA -0.350 51.619 52.037 -0.114 0.000 0.799 106 A CB 0.949 19.831 19.000 -0.196 0.000 1.194 106 A HN 0.801 nan 8.150 nan 0.000 0.479 107 c N 1.559 120.092 118.600 -0.112 0.000 2.397 107 c HA 0.834 5.404 4.570 -0.000 0.000 0.343 107 c C 0.874 174.876 174.090 -0.146 0.000 1.188 107 c CA -0.227 56.034 56.329 -0.113 0.000 1.992 107 c CB 1.177 43.590 42.510 -0.161 0.000 2.358 107 c HN 1.004 nan 8.230 nan 0.000 0.518 108 A N 3.083 125.843 122.820 -0.101 0.000 2.508 108 A HA 0.583 4.903 4.320 -0.000 0.000 0.336 108 A C -1.957 175.465 177.584 -0.270 0.000 1.360 108 A CA -0.955 51.009 52.037 -0.122 0.000 0.841 108 A CB 0.229 19.293 19.000 0.107 0.000 1.136 108 A HN 0.665 nan 8.150 nan 0.000 0.489 109 P HA -0.069 nan 4.420 nan 0.000 0.223 109 P C 0.457 177.343 177.300 -0.690 0.000 1.151 109 P CA 0.988 63.621 63.100 -0.779 0.000 0.787 109 P CB 0.164 31.092 31.700 -1.287 0.000 0.788 110 W N -0.465 120.819 121.300 -0.026 0.000 2.966 110 W HA 0.340 5.000 4.660 -0.000 0.000 0.406 110 W C 0.406 176.967 176.519 0.070 0.000 1.027 110 W CA -0.515 56.826 57.345 -0.007 0.000 1.930 110 W CB -0.941 28.550 29.460 0.051 0.000 1.144 110 W HN 0.071 nan 8.180 nan 0.000 0.626 111 Q N 1.390 121.295 119.800 0.175 0.000 2.286 111 Q HA -0.053 4.287 4.340 -0.000 0.000 0.290 111 Q C -0.613 175.511 176.000 0.207 0.000 1.049 111 Q CA 0.980 56.923 55.803 0.234 0.000 0.923 111 Q CB 0.529 29.359 28.738 0.154 0.000 1.183 111 Q HN 0.142 nan 8.270 nan 0.000 0.383 112 H N 2.618 121.855 119.070 0.280 0.000 2.544 112 H HA 0.516 5.072 4.556 -0.000 0.000 0.342 112 H C -1.155 174.483 175.328 0.517 0.000 1.185 112 H CA -0.305 55.930 56.048 0.312 0.000 1.264 112 H CB 1.056 30.931 29.762 0.189 0.000 1.607 112 H HN 0.666 nan 8.280 nan 0.000 0.550 113 W N 2.043 123.547 121.300 0.339 0.000 3.256 113 W HA 0.381 5.041 4.660 -0.000 0.000 0.324 113 W C -1.910 174.773 176.519 0.273 0.000 1.196 113 W CA -0.400 57.112 57.345 0.278 0.000 1.206 113 W CB 2.210 31.717 29.460 0.078 0.000 1.385 113 W HN 0.553 nan 8.180 nan 0.000 0.522 114 N N 2.239 120.693 118.700 -0.410 0.000 2.494 114 N HA 0.640 5.380 4.740 -0.000 0.000 0.270 114 N C -2.229 172.866 175.510 -0.692 0.000 1.285 114 N CA -0.407 52.420 53.050 -0.372 0.000 0.812 114 N CB 2.606 41.095 38.487 0.002 0.000 1.557 114 N HN 0.133 nan 8.380 nan 0.000 0.487 115 V N 2.298 122.001 119.914 -0.351 0.000 2.525 115 V HA 0.520 4.640 4.120 -0.000 0.000 0.299 115 V C -0.464 175.577 176.094 -0.089 0.000 1.034 115 V CA -0.663 61.492 62.300 -0.242 0.000 0.863 115 V CB 1.499 33.261 31.823 -0.102 0.000 0.999 115 V HN 0.485 nan 8.190 nan 0.000 0.423 116 L N 3.694 124.873 121.223 -0.073 0.000 2.331 116 L HA 0.766 5.106 4.340 -0.000 0.000 0.275 116 L C -0.180 176.681 176.870 -0.015 0.000 1.022 116 L CA -0.429 54.395 54.840 -0.027 0.000 0.812 116 L CB 1.890 43.937 42.059 -0.021 0.000 1.257 116 L HN 0.702 nan 8.230 nan 0.000 0.435 117 E N 3.064 123.264 120.200 0.000 0.000 2.378 117 E HA 0.266 4.616 4.350 -0.000 0.000 0.282 117 E C -0.761 175.844 176.600 0.008 0.000 0.910 117 E CA -0.379 56.024 56.400 0.004 0.000 0.816 117 E CB 1.013 30.719 29.700 0.010 0.000 1.359 117 E HN 0.616 nan 8.360 nan 0.000 0.397 118 K N 0.035 120.438 120.400 0.006 0.000 1.699 118 K HA -0.312 4.008 4.320 -0.000 0.000 0.127 118 K C 1.086 177.692 176.600 0.010 0.000 1.157 118 K CA 2.343 58.635 56.287 0.007 0.000 0.341 118 K CB -1.477 31.028 32.500 0.008 0.000 0.645 118 K HN 0.652 nan 8.250 nan 0.000 0.848 119 T N -0.073 114.488 114.554 0.012 0.000 3.107 119 T HA 0.139 4.489 4.350 -0.000 0.000 0.249 119 T C 0.330 175.042 174.700 0.020 0.000 1.096 119 T CA 0.370 62.479 62.100 0.015 0.000 1.012 119 T CB -0.046 68.831 68.868 0.015 0.000 0.977 119 T HN 0.337 nan 8.240 nan 0.000 0.527 120 E N 1.158 121.371 120.200 0.022 0.000 2.239 120 E HA 0.591 4.941 4.350 -0.000 0.000 0.261 120 E C -0.389 176.230 176.600 0.032 0.000 1.016 120 E CA -0.938 55.480 56.400 0.032 0.000 0.882 120 E CB 1.180 30.900 29.700 0.033 0.000 1.190 120 E HN 0.713 nan 8.360 nan 0.000 0.415 121 E N -1.030 119.199 120.200 0.048 0.000 2.430 121 E HA 0.538 4.888 4.350 -0.000 0.000 0.279 121 E C -0.520 176.131 176.600 0.087 0.000 1.003 121 E CA -0.815 55.614 56.400 0.047 0.000 0.801 121 E CB 1.058 30.778 29.700 0.035 0.000 1.313 121 E HN 0.381 nan 8.360 nan 0.000 0.459 122 A N 1.090 123.963 122.820 0.088 0.000 2.014 122 A HA 0.047 4.367 4.320 -0.000 0.000 0.218 122 A C 0.068 177.733 177.584 0.135 0.000 1.163 122 A CA 1.490 53.622 52.037 0.159 0.000 0.652 122 A CB -0.721 18.381 19.000 0.170 0.000 0.808 122 A HN 0.666 nan 8.150 nan 0.000 0.449 123 E N -2.006 118.248 120.200 0.090 0.000 7.576 123 E HA -0.081 4.269 4.350 -0.000 0.000 0.451 123 E C -0.761 175.888 176.600 0.081 0.000 0.533 123 E CA 0.075 56.528 56.400 0.088 0.000 1.249 123 E CB -0.379 29.397 29.700 0.126 0.000 0.953 123 E HN 0.468 nan 8.360 nan 0.000 0.262 124 K N 2.640 123.072 120.400 0.054 0.000 2.338 124 K HA 0.296 4.616 4.320 -0.000 0.000 0.290 124 K C -0.616 176.104 176.600 0.200 0.000 1.069 124 K CA 0.577 56.895 56.287 0.051 0.000 0.941 124 K CB 0.456 32.871 32.500 -0.142 0.000 1.023 124 K HN 0.476 nan 8.250 nan 0.000 0.477 125 T N 1.265 115.972 114.554 0.255 0.000 2.900 125 T HA 0.425 4.775 4.350 -0.000 0.000 0.303 125 T C -2.875 171.758 174.700 -0.111 0.000 1.142 125 T CA -2.050 60.159 62.100 0.182 0.000 1.007 125 T CB 1.881 70.820 68.868 0.118 0.000 1.156 125 T HN 0.337 nan 8.240 nan 0.000 0.490 126 P HA 0.203 nan 4.420 nan 0.000 0.252 126 P C 1.359 178.526 177.300 -0.222 0.000 1.727 126 P CA -0.477 62.311 63.100 -0.520 0.000 1.134 126 P CB 0.143 31.634 31.700 -0.349 0.000 1.876 127 V N 0.295 120.098 119.914 -0.184 0.000 2.809 127 V HA 0.195 4.315 4.120 -0.000 0.000 0.256 127 V C 1.037 176.970 176.094 -0.268 0.000 1.080 127 V CA 0.849 63.001 62.300 -0.247 0.000 1.102 127 V CB -1.884 29.756 31.823 -0.305 0.000 0.705 127 V HN 0.653 nan 8.190 nan 0.000 0.475 128 G N -0.350 108.320 108.800 -0.216 0.000 2.846 128 G HA2 0.080 4.040 3.960 -0.000 0.000 0.660 128 G HA3 0.080 4.040 3.960 -0.000 0.000 0.660 128 G C -0.356 174.387 174.900 -0.262 0.000 1.464 128 G CA 0.064 45.023 45.100 -0.236 0.000 0.891 128 G HN 1.636 nan 8.290 nan 0.000 0.552 129 S N -1.414 114.134 115.700 -0.253 0.000 2.542 129 S HA 0.601 5.071 4.470 -0.000 0.000 0.276 129 S C -0.432 173.984 174.600 -0.307 0.000 1.148 129 S CA 0.112 58.113 58.200 -0.330 0.000 0.886 129 S CB 1.055 64.044 63.200 -0.351 0.000 1.109 129 S HN 1.519 nan 8.310 nan 0.000 0.458 130 c N 3.653 122.048 118.600 -0.341 0.000 2.411 130 c HA 0.757 5.327 4.570 -0.000 0.000 0.330 130 c C -0.880 172.977 174.090 -0.388 0.000 1.224 130 c CA -0.588 55.602 56.329 -0.232 0.000 1.770 130 c CB -0.014 42.426 42.510 -0.117 0.000 2.297 130 c HN 0.751 nan 8.230 nan 0.000 0.507 131 F N 2.474 122.224 119.950 -0.333 0.000 2.436 131 F HA 0.677 5.204 4.527 -0.000 0.000 0.340 131 F C -0.072 175.554 175.800 -0.290 0.000 1.113 131 F CA -0.686 57.063 58.000 -0.418 0.000 1.022 131 F CB 0.873 39.343 39.000 -0.883 0.000 1.128 131 F HN 0.176 nan 8.300 nan 0.000 0.466 132 L N 3.336 124.544 121.223 -0.025 0.000 2.333 132 L HA 0.802 5.141 4.340 -0.000 0.000 0.280 132 L C -0.332 176.707 176.870 0.282 0.000 1.004 132 L CA -0.431 54.421 54.840 0.020 0.000 0.820 132 L CB 1.714 43.548 42.059 -0.375 0.000 1.247 132 L HN 0.737 nan 8.230 nan 0.000 0.416 133 A N 2.843 125.909 122.820 0.411 0.000 2.365 133 A HA 0.689 5.009 4.320 -0.000 0.000 0.318 133 A C -0.844 176.925 177.584 0.308 0.000 1.091 133 A CA -0.508 51.746 52.037 0.361 0.000 0.763 133 A CB 1.519 20.655 19.000 0.227 0.000 1.248 133 A HN 0.643 nan 8.150 nan 0.000 0.442 134 Q N 2.985 122.916 119.800 0.220 0.000 2.571 134 Q HA 0.300 4.640 4.340 -0.000 0.000 0.243 134 Q C -2.098 173.925 176.000 0.038 0.000 1.055 134 Q CA -1.972 53.884 55.803 0.089 0.000 0.815 134 Q CB 1.143 29.840 28.738 -0.067 0.000 1.151 134 Q HN 0.463 nan 8.270 nan 0.000 0.519 135 P HA -0.195 nan 4.420 nan 0.000 0.216 135 P C 0.177 177.488 177.300 0.017 0.000 1.153 135 P CA 1.377 64.475 63.100 -0.004 0.000 0.858 135 P CB 0.302 31.991 31.700 -0.017 0.000 0.789 136 E N -0.878 119.348 120.200 0.043 0.000 2.478 136 E HA -0.063 4.287 4.350 -0.000 0.000 0.198 136 E C 1.528 178.138 176.600 0.017 0.000 1.046 136 E CA 1.157 57.582 56.400 0.042 0.000 0.870 136 E CB -0.174 29.561 29.700 0.058 0.000 0.818 136 E HN 0.390 nan 8.360 nan 0.000 0.527 137 S N -2.154 113.548 115.700 0.002 0.000 2.619 137 S HA 0.276 4.746 4.470 -0.000 0.000 0.238 137 S C 1.581 176.180 174.600 -0.002 0.000 1.068 137 S CA 0.289 58.484 58.200 -0.008 0.000 0.926 137 S CB 1.003 64.184 63.200 -0.032 0.000 0.864 137 S HN 0.257 nan 8.310 nan 0.000 0.493 138 G N 1.756 110.556 108.800 0.001 0.000 2.175 138 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.244 138 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.244 138 G C 0.086 175.009 174.900 0.039 0.000 0.982 138 G CA -0.109 44.993 45.100 0.003 0.000 0.641 138 G HN 0.570 nan 8.290 nan 0.000 0.527 139 R N 0.387 120.921 120.500 0.057 0.000 2.590 139 R HA 0.475 4.815 4.340 -0.000 0.000 0.274 139 R C 0.246 176.709 176.300 0.271 0.000 1.061 139 R CA 0.119 56.300 56.100 0.136 0.000 1.081 139 R CB 0.349 30.681 30.300 0.054 0.000 0.984 139 R HN 0.109 nan 8.270 nan 0.000 0.448 140 R N 0.751 121.428 120.500 0.295 0.000 2.686 140 R HA 0.681 5.021 4.340 -0.000 0.000 0.283 140 R C -1.032 175.323 176.300 0.091 0.000 0.978 140 R CA -0.834 55.414 56.100 0.247 0.000 0.897 140 R CB 2.300 32.712 30.300 0.187 0.000 1.192 140 R HN 0.754 nan 8.270 nan 0.000 0.457 141 A N 1.456 124.107 122.820 -0.282 0.000 2.593 141 A HA 0.734 5.054 4.320 -0.000 0.000 0.290 141 A C -1.278 175.745 177.584 -0.935 0.000 1.126 141 A CA -0.683 50.814 52.037 -0.900 0.000 0.695 141 A CB 2.019 20.456 19.000 -0.939 0.000 1.290 141 A HN 0.631 nan 8.150 nan 0.000 0.414 142 E N -0.933 118.555 120.200 -1.188 0.000 2.392 142 E HA 0.574 4.924 4.350 -0.000 0.000 0.269 142 E C -2.166 174.437 176.600 0.005 0.000 0.924 142 E CA -0.565 55.499 56.400 -0.560 0.000 0.784 142 E CB 2.638 32.035 29.700 -0.506 0.000 1.292 142 E HN 0.536 nan 8.360 nan 0.000 0.447 143 Y N 0.389 120.577 120.300 -0.188 0.000 2.396 143 Y HA 0.404 4.954 4.550 -0.000 0.000 0.332 143 Y C -1.223 174.507 175.900 -0.285 0.000 1.034 143 Y CA -0.805 57.210 58.100 -0.142 0.000 1.057 143 Y CB 2.098 40.453 38.460 -0.175 0.000 1.220 143 Y HN 0.406 nan 8.280 nan 0.000 0.440 144 S N 8.230 123.471 115.700 -0.766 0.000 2.486 144 S HA 0.299 4.769 4.470 -0.000 0.000 0.144 144 S C -2.316 171.743 174.600 -0.902 0.000 1.542 144 S CA -0.941 56.799 58.200 -0.766 0.000 1.262 144 S CB 0.473 63.330 63.200 -0.572 0.000 1.462 144 S HN 0.597 nan 8.310 nan 0.000 0.381 145 P HA 0.094 nan 4.420 nan 0.000 0.230 145 P C 0.884 177.843 177.300 -0.569 0.000 1.158 145 P CA 0.547 63.160 63.100 -0.812 0.000 0.769 145 P CB -0.201 31.027 31.700 -0.785 0.000 0.807 146 c N -0.880 117.381 118.600 -0.565 0.000 2.780 146 c HA 0.228 4.798 4.570 -0.000 0.000 0.267 146 c C 1.387 175.178 174.090 -0.499 0.000 1.266 146 c CA -0.437 55.615 56.329 -0.463 0.000 1.709 146 c CB -1.101 41.151 42.510 -0.430 0.000 1.975 146 c HN 0.191 nan 8.230 nan 0.000 0.582 147 R N 1.243 121.316 120.500 -0.712 0.000 2.585 147 R HA 0.401 4.741 4.340 -0.000 0.000 0.275 147 R C 0.496 176.484 176.300 -0.519 0.000 1.018 147 R CA 0.640 56.129 56.100 -1.017 0.000 1.072 147 R CB 0.184 29.509 30.300 -1.625 0.000 0.953 147 R HN 0.526 nan 8.270 nan 0.000 0.419 148 G N 0.460 109.167 108.800 -0.156 0.000 2.733 148 G HA2 0.219 4.179 3.960 -0.000 0.000 0.288 148 G HA3 0.219 4.179 3.960 -0.000 0.000 0.288 148 G C -0.580 174.518 174.900 0.330 0.000 1.373 148 G CA -0.726 44.426 45.100 0.088 0.000 0.895 148 G HN 0.689 nan 8.290 nan 0.000 0.479 149 N N -1.077 117.747 118.700 0.207 0.000 2.365 149 N HA 0.152 4.892 4.740 -0.000 0.000 0.257 149 N C -0.207 175.373 175.510 0.117 0.000 1.287 149 N CA -0.321 52.844 53.050 0.192 0.000 0.882 149 N CB 0.738 39.311 38.487 0.144 0.000 1.250 149 N HN 0.235 nan 8.380 nan 0.000 0.507 150 T N 1.420 116.046 114.554 0.121 0.000 2.856 150 T HA 0.388 4.738 4.350 -0.000 0.000 0.292 150 T C 0.466 175.234 174.700 0.114 0.000 0.980 150 T CA -0.449 61.658 62.100 0.010 0.000 1.091 150 T CB 1.235 69.971 68.868 -0.221 0.000 0.936 150 T HN 0.104 nan 8.240 nan 0.000 0.503 151 L N 1.902 123.152 121.223 0.045 0.000 2.418 151 L HA 0.255 4.595 4.340 -0.000 0.000 0.265 151 L C 2.072 179.058 176.870 0.193 0.000 1.143 151 L CA -0.408 54.498 54.840 0.110 0.000 0.809 151 L CB 0.768 42.859 42.059 0.053 0.000 1.124 151 L HN 0.717 nan 8.230 nan 0.000 0.456 152 S N 1.397 117.240 115.700 0.239 0.000 2.372 152 S HA -0.269 4.201 4.470 -0.000 0.000 0.227 152 S C 2.048 176.768 174.600 0.201 0.000 1.044 152 S CA 2.106 60.478 58.200 0.286 0.000 1.050 152 S CB -0.217 63.097 63.200 0.190 0.000 0.901 152 S HN 0.701 nan 8.310 nan 0.000 0.447 153 R N 0.132 120.692 120.500 0.100 0.000 2.103 153 R HA -0.098 4.242 4.340 -0.000 0.000 0.242 153 R C 2.058 178.343 176.300 -0.025 0.000 1.142 153 R CA 1.951 58.072 56.100 0.035 0.000 0.960 153 R CB -0.351 29.963 30.300 0.024 0.000 0.858 153 R HN 0.446 nan 8.270 nan 0.000 0.439 154 I N 0.218 120.752 120.570 -0.060 0.000 2.315 154 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 154 I C 1.874 177.865 176.117 -0.210 0.000 1.117 154 I CA 1.255 62.466 61.300 -0.149 0.000 1.404 154 I CB -1.383 36.488 38.000 -0.215 0.000 1.071 154 I HN 0.161 nan 8.210 nan 0.000 0.419 155 Y N 0.971 121.185 120.300 -0.145 0.000 2.165 155 Y HA -0.183 4.367 4.550 -0.000 0.000 0.286 155 Y C 2.752 178.231 175.900 -0.703 0.000 1.155 155 Y CA 1.266 59.180 58.100 -0.309 0.000 1.164 155 Y CB -1.171 37.149 38.460 -0.234 0.000 0.978 155 Y HN -0.105 nan 8.280 nan 0.000 0.513 156 V N 0.153 119.774 119.914 -0.488 0.000 2.287 156 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 156 V C 1.933 177.878 176.094 -0.249 0.000 1.053 156 V CA 2.174 64.171 62.300 -0.506 0.000 1.027 156 V CB -0.592 31.150 31.823 -0.135 0.000 0.646 156 V HN 0.427 nan 8.190 nan 0.000 0.447 157 E N 0.197 120.307 120.200 -0.149 0.000 2.338 157 E HA -0.106 4.244 4.350 -0.000 0.000 0.197 157 E C 0.943 177.499 176.600 -0.073 0.000 1.007 157 E CA 0.693 57.045 56.400 -0.081 0.000 0.849 157 E CB -0.077 29.590 29.700 -0.056 0.000 0.774 157 E HN 0.602 nan 8.360 nan 0.000 0.506 158 N N 1.205 119.841 118.700 -0.106 0.000 2.328 158 N HA 0.000 4.740 4.740 -0.000 0.000 0.247 158 N C -0.911 174.550 175.510 -0.081 0.000 1.165 158 N CA 0.113 53.129 53.050 -0.057 0.000 0.873 158 N CB 0.857 39.348 38.487 0.006 0.000 1.125 158 N HN -0.011 nan 8.380 nan 0.000 0.513 159 D N 0.660 121.004 120.400 -0.094 0.000 2.751 159 D HA -0.226 4.414 4.640 -0.000 0.000 0.233 159 D C -0.275 176.109 176.300 0.138 0.000 1.149 159 D CA 0.628 54.643 54.000 0.024 0.000 0.682 159 D CB -1.626 39.177 40.800 0.005 0.000 1.068 159 D HN 0.357 nan 8.370 nan 0.000 0.429 160 F N -1.854 118.131 119.950 0.057 0.000 3.091 160 F HA -0.292 4.235 4.527 -0.000 0.000 0.288 160 F C 1.168 177.000 175.800 0.053 0.000 0.907 160 F CA 0.853 58.934 58.000 0.134 0.000 1.028 160 F CB -2.422 36.599 39.000 0.034 0.000 1.022 160 F HN 0.122 nan 8.300 nan 0.000 0.665 161 S N -0.999 114.716 115.700 0.024 0.000 2.584 161 S HA 0.394 4.864 4.470 -0.000 0.000 0.273 161 S C 0.340 174.953 174.600 0.022 0.000 1.311 161 S CA -0.110 57.885 58.200 -0.341 0.000 1.034 161 S CB 0.875 63.478 63.200 -0.995 0.000 0.939 161 S HN 0.522 nan 8.310 nan 0.000 0.513 162 W N 0.053 121.447 121.300 0.157 0.000 5.770 162 W HA -0.153 4.507 4.660 -0.000 0.000 0.389 162 W C -0.419 176.352 176.519 0.419 0.000 1.469 162 W CA 0.500 58.005 57.345 0.266 0.000 0.975 162 W CB -2.182 27.367 29.460 0.148 0.000 2.622 162 W HN 0.882 nan 8.180 nan 0.000 1.500 163 D N 1.174 121.894 120.400 0.534 0.000 2.393 163 D HA 0.201 4.841 4.640 -0.000 0.000 0.232 163 D C 0.968 177.264 176.300 -0.007 0.000 1.192 163 D CA 0.169 54.337 54.000 0.280 0.000 0.882 163 D CB 0.484 41.453 40.800 0.282 0.000 1.038 163 D HN 0.158 nan 8.370 nan 0.000 0.499 164 K N 2.667 122.992 120.400 -0.124 0.000 2.397 164 K HA 0.176 4.496 4.320 -0.000 0.000 0.202 164 K C 1.475 177.775 176.600 -0.501 0.000 1.022 164 K CA -0.227 55.860 56.287 -0.333 0.000 1.141 164 K CB 0.859 33.204 32.500 -0.258 0.000 0.857 164 K HN 0.202 nan 8.250 nan 0.000 0.514 165 R N 0.068 120.095 120.500 -0.789 0.000 2.189 165 R HA -0.091 4.249 4.340 -0.000 0.000 0.223 165 R C 0.435 176.216 176.300 -0.865 0.000 1.092 165 R CA 1.182 56.756 56.100 -0.876 0.000 0.989 165 R CB 0.035 29.689 30.300 -1.077 0.000 0.876 165 R HN 0.280 nan 8.270 nan 0.000 0.457 166 Y N -2.892 117.188 120.300 -0.366 0.000 2.720 166 Y HA 0.220 4.770 4.550 -0.000 0.000 0.268 166 Y C 1.503 177.180 175.900 -0.371 0.000 1.142 166 Y CA -1.255 56.609 58.100 -0.394 0.000 1.193 166 Y CB -0.758 37.315 38.460 -0.646 0.000 1.176 166 Y HN -0.079 nan 8.280 nan 0.000 0.542 167 c N 0.796 119.210 118.600 -0.310 0.000 2.385 167 c HA -0.265 4.305 4.570 -0.000 0.000 0.275 167 c C 1.350 175.315 174.090 -0.208 0.000 1.207 167 c CA 1.882 58.039 56.329 -0.286 0.000 1.760 167 c CB -0.814 41.497 42.510 -0.332 0.000 2.051 167 c HN 0.730 nan 8.230 nan 0.000 0.467 168 E N -0.647 119.441 120.200 -0.187 0.000 2.252 168 E HA -0.221 4.128 4.350 -0.000 0.000 0.218 168 E C 0.175 176.654 176.600 -0.201 0.000 1.253 168 E CA 0.028 56.321 56.400 -0.179 0.000 0.705 168 E CB -1.448 28.217 29.700 -0.058 0.000 1.172 168 E HN 0.782 nan 8.360 nan 0.000 0.369 169 A N 0.322 122.992 122.820 -0.250 0.000 2.567 169 A HA 0.347 4.667 4.320 -0.000 0.000 0.240 169 A C 1.703 179.147 177.584 -0.233 0.000 1.053 169 A CA 1.089 52.973 52.037 -0.256 0.000 0.755 169 A CB 0.071 18.865 19.000 -0.343 0.000 0.978 169 A HN 1.186 nan 8.150 nan 0.000 0.507 170 G N 1.207 109.900 108.800 -0.178 0.000 2.159 170 G HA2 -0.315 3.644 3.960 -0.000 0.000 0.256 170 G HA3 -0.315 3.644 3.960 -0.000 0.000 0.256 170 G C 0.696 175.490 174.900 -0.176 0.000 0.977 170 G CA 0.818 45.818 45.100 -0.167 0.000 0.652 170 G HN 1.285 nan 8.290 nan 0.000 0.531 171 F N 2.471 122.223 119.950 -0.330 0.000 2.087 171 F HA 0.037 4.564 4.527 -0.000 0.000 0.299 171 F C 1.784 177.432 175.800 -0.254 0.000 1.100 171 F CA 2.483 60.274 58.000 -0.349 0.000 1.226 171 F CB -0.030 38.776 39.000 -0.324 0.000 0.983 171 F HN 0.617 nan 8.300 nan 0.000 0.479 172 S N -1.094 114.647 115.700 0.068 0.000 2.634 172 S HA 0.713 5.183 4.470 -0.000 0.000 0.296 172 S C -0.546 174.013 174.600 -0.068 0.000 1.104 172 S CA -0.085 58.103 58.200 -0.020 0.000 0.920 172 S CB 1.943 65.154 63.200 0.019 0.000 1.111 172 S HN 0.477 nan 8.310 nan 0.000 0.493 173 S N -0.257 115.397 115.700 -0.077 0.000 2.547 173 S HA 0.817 5.287 4.470 -0.000 0.000 0.270 173 S C -1.318 173.239 174.600 -0.072 0.000 1.150 173 S CA -0.656 57.495 58.200 -0.082 0.000 0.850 173 S CB 1.220 64.376 63.200 -0.072 0.000 1.118 173 S HN 1.904 nan 8.310 nan 0.000 0.461 174 V N 1.179 121.042 119.914 -0.084 0.000 3.204 174 V HA 0.786 4.906 4.120 -0.000 0.000 0.298 174 V C -1.792 174.253 176.094 -0.082 0.000 1.328 174 V CA -0.496 61.767 62.300 -0.062 0.000 1.035 174 V CB 2.133 33.916 31.823 -0.067 0.000 1.095 174 V HN 1.147 nan 8.190 nan 0.000 0.442 175 V N 3.603 123.488 119.914 -0.048 0.000 2.540 175 V HA 0.585 4.705 4.120 -0.000 0.000 0.302 175 V C 0.405 176.442 176.094 -0.094 0.000 1.035 175 V CA -0.048 62.178 62.300 -0.124 0.000 0.873 175 V CB 1.980 33.730 31.823 -0.122 0.000 0.992 175 V HN 1.111 nan 8.190 nan 0.000 0.428 176 T N 1.262 115.728 114.554 -0.147 0.000 2.766 176 T HA 0.126 4.476 4.350 -0.000 0.000 0.295 176 T C 0.942 175.620 174.700 -0.036 0.000 1.024 176 T CA -0.282 61.791 62.100 -0.045 0.000 1.018 176 T CB 0.842 69.703 68.868 -0.010 0.000 1.002 176 T HN 0.559 nan 8.240 nan 0.000 0.532 177 Q N 0.555 120.417 119.800 0.103 0.000 2.170 177 Q HA -0.050 4.290 4.340 -0.000 0.000 0.203 177 Q C 2.554 178.728 176.000 0.290 0.000 0.976 177 Q CA 1.739 57.691 55.803 0.249 0.000 0.858 177 Q CB -0.979 27.866 28.738 0.179 0.000 0.907 177 Q HN 0.933 nan 8.270 nan 0.000 0.433 178 A N -0.167 122.708 122.820 0.091 0.000 2.168 178 A HA 0.211 4.531 4.320 -0.000 0.000 0.215 178 A C 1.444 178.948 177.584 -0.133 0.000 1.152 178 A CA 1.231 53.303 52.037 0.058 0.000 0.716 178 A CB -0.226 18.776 19.000 0.003 0.000 0.794 178 A HN 0.449 nan 8.150 nan 0.000 0.465 179 G N -0.741 107.689 108.800 -0.617 0.000 2.141 179 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.195 179 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.195 179 G C -0.409 174.012 174.900 -0.798 0.000 1.012 179 G CA 0.082 44.264 45.100 -1.528 0.000 0.696 179 G HN 0.521 nan 8.290 nan 0.000 0.508 180 E N -0.186 119.728 120.200 -0.476 0.000 2.194 180 E HA 0.536 4.886 4.350 -0.000 0.000 0.284 180 E C 0.297 176.711 176.600 -0.310 0.000 1.035 180 E CA -0.662 55.553 56.400 -0.309 0.000 0.836 180 E CB 1.523 31.126 29.700 -0.160 0.000 1.070 180 E HN 0.316 nan 8.360 nan 0.000 0.401 181 L N 4.700 125.749 121.223 -0.289 0.000 2.313 181 L HA 0.268 4.608 4.340 -0.000 0.000 0.282 181 L C -1.180 175.575 176.870 -0.192 0.000 1.092 181 L CA -0.299 54.404 54.840 -0.227 0.000 0.831 181 L CB 0.837 42.768 42.059 -0.213 0.000 1.159 181 L HN 0.306 nan 8.230 nan 0.000 0.442 182 V N 6.891 126.685 119.914 -0.201 0.000 2.409 182 V HA 0.440 4.560 4.120 -0.000 0.000 0.291 182 V C -0.006 175.988 176.094 -0.166 0.000 1.020 182 V CA -0.609 61.548 62.300 -0.238 0.000 0.848 182 V CB 1.412 32.954 31.823 -0.468 0.000 0.990 182 V HN 0.602 nan 8.190 nan 0.000 0.430 183 L N 3.985 125.138 121.223 -0.116 0.000 2.329 183 L HA 0.732 5.072 4.340 -0.000 0.000 0.279 183 L C 0.823 177.615 176.870 -0.130 0.000 1.014 183 L CA -0.468 54.307 54.840 -0.107 0.000 0.814 183 L CB 1.808 43.815 42.059 -0.087 0.000 1.257 183 L HN 0.757 nan 8.230 nan 0.000 0.424 184 G N 1.688 110.416 108.800 -0.121 0.000 2.372 184 G HA2 0.566 4.526 3.960 -0.000 0.000 0.283 184 G HA3 0.566 4.526 3.960 -0.000 0.000 0.283 184 G C -0.463 174.375 174.900 -0.103 0.000 1.177 184 G CA -0.234 44.795 45.100 -0.118 0.000 0.842 184 G HN 0.726 nan 8.290 nan 0.000 0.503 185 A N 4.416 127.165 122.820 -0.119 0.000 2.943 185 A HA 0.653 4.973 4.320 -0.000 0.000 0.327 185 A C -1.552 175.953 177.584 -0.133 0.000 1.141 185 A CA -1.106 50.839 52.037 -0.154 0.000 0.773 185 A CB 1.632 20.509 19.000 -0.204 0.000 1.143 185 A HN 0.440 nan 8.150 nan 0.000 0.463 186 P HA -0.062 nan 4.420 nan 0.000 0.226 186 P C 1.323 178.659 177.300 0.061 0.000 1.153 186 P CA 1.593 64.641 63.100 -0.086 0.000 0.777 186 P CB 0.203 31.658 31.700 -0.408 0.000 0.794 187 G N -0.106 108.653 108.800 -0.067 0.000 2.985 187 G HA2 0.127 4.087 3.960 -0.000 0.000 0.209 187 G HA3 0.127 4.087 3.960 -0.000 0.000 0.209 187 G C 0.888 175.632 174.900 -0.260 0.000 1.165 187 G CA 0.082 45.110 45.100 -0.120 0.000 0.776 187 G HN 0.401 nan 8.290 nan 0.000 0.541 188 G N -0.553 108.132 108.800 -0.191 0.000 2.391 188 G HA2 0.240 4.200 3.960 -0.000 0.000 0.234 188 G HA3 0.240 4.200 3.960 -0.000 0.000 0.234 188 G C 0.028 174.829 174.900 -0.165 0.000 1.284 188 G CA -0.255 44.646 45.100 -0.332 0.000 0.873 188 G HN 0.419 nan 8.290 nan 0.000 0.549 189 Y N -0.416 119.868 120.300 -0.027 0.000 3.027 189 Y HA -0.228 4.322 4.550 -0.000 0.000 0.195 189 Y C 0.784 176.759 175.900 0.126 0.000 1.381 189 Y CA 0.714 58.843 58.100 0.048 0.000 1.015 189 Y CB -2.840 35.643 38.460 0.038 0.000 1.329 189 Y HN 0.889 nan 8.280 nan 0.000 0.462 190 Y N -1.065 119.274 120.300 0.065 0.000 3.168 190 Y HA -0.238 4.312 4.550 -0.000 0.000 0.207 190 Y C 0.765 176.721 175.900 0.093 0.000 1.280 190 Y CA 1.107 59.215 58.100 0.012 0.000 1.235 190 Y CB -1.799 36.702 38.460 0.067 0.000 1.370 190 Y HN 0.484 nan 8.280 nan 0.000 0.537 191 F N -4.172 115.925 119.950 0.245 0.000 2.746 191 F HA -0.404 4.122 4.527 -0.000 0.000 0.315 191 F C 1.206 177.180 175.800 0.289 0.000 0.666 191 F CA 0.562 58.727 58.000 0.275 0.000 1.381 191 F CB -1.980 37.188 39.000 0.280 0.000 1.739 191 F HN 0.190 nan 8.300 nan 0.000 0.322 192 L N 0.073 121.522 121.223 0.377 0.000 1.994 192 L HA 0.329 4.669 4.340 -0.000 0.000 0.208 192 L C 1.668 178.790 176.870 0.419 0.000 1.071 192 L CA 2.136 57.201 54.840 0.375 0.000 0.745 192 L CB -0.988 41.270 42.059 0.331 0.000 0.892 192 L HN 0.597 nan 8.230 nan 0.000 0.431 193 G N -1.116 107.888 108.800 0.340 0.000 2.576 193 G HA2 0.294 4.254 3.960 -0.000 0.000 0.686 193 G HA3 0.294 4.254 3.960 -0.000 0.000 0.686 193 G C -1.480 173.626 174.900 0.343 0.000 1.242 193 G CA -0.473 44.832 45.100 0.342 0.000 0.819 193 G HN 0.479 nan 8.290 nan 0.000 0.655 194 L N -1.324 120.038 121.223 0.232 0.000 2.600 194 L HA 1.014 5.354 4.340 -0.000 0.000 0.257 194 L C -1.186 175.755 176.870 0.118 0.000 1.048 194 L CA -1.425 53.530 54.840 0.191 0.000 0.869 194 L CB 1.611 43.515 42.059 -0.259 0.000 1.482 194 L HN 0.797 nan 8.230 nan 0.000 0.408 195 L N 1.519 122.774 121.223 0.053 0.000 2.346 195 L HA 0.958 5.298 4.340 -0.000 0.000 0.274 195 L C -0.301 176.491 176.870 -0.129 0.000 1.007 195 L CA -0.243 54.548 54.840 -0.081 0.000 0.818 195 L CB 1.878 43.911 42.059 -0.043 0.000 1.284 195 L HN 1.013 nan 8.230 nan 0.000 0.424 196 A N 3.314 126.089 122.820 -0.075 0.000 2.330 196 A HA 0.729 5.049 4.320 -0.000 0.000 0.313 196 A C -1.118 176.503 177.584 0.062 0.000 1.124 196 A CA -0.489 51.541 52.037 -0.012 0.000 0.774 196 A CB 1.394 20.342 19.000 -0.086 0.000 1.198 196 A HN 0.543 nan 8.150 nan 0.000 0.465 197 Q N 1.500 121.363 119.800 0.105 0.000 2.353 197 Q HA 0.754 5.094 4.340 -0.000 0.000 0.268 197 Q C -1.360 174.622 176.000 -0.029 0.000 1.045 197 Q CA -0.464 55.349 55.803 0.016 0.000 0.811 197 Q CB 2.073 30.831 28.738 0.034 0.000 1.305 197 Q HN 1.341 nan 8.270 nan 0.000 0.447 198 A N 4.540 127.252 122.820 -0.179 0.000 2.566 198 A HA 0.640 4.959 4.320 -0.000 0.000 0.297 198 A C -2.814 174.595 177.584 -0.292 0.000 1.059 198 A CA -1.209 50.664 52.037 -0.273 0.000 0.691 198 A CB 1.598 20.281 19.000 -0.529 0.000 1.282 198 A HN 0.541 nan 8.150 nan 0.000 0.401 199 P HA 0.184 nan 4.420 nan 0.000 0.268 199 P C 1.139 178.322 177.300 -0.194 0.000 1.204 199 P CA -0.049 62.932 63.100 -0.199 0.000 0.768 199 P CB 0.752 32.381 31.700 -0.117 0.000 0.842 200 V N 3.538 123.330 119.914 -0.205 0.000 2.332 200 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 200 V C 2.375 178.560 176.094 0.152 0.000 1.055 200 V CA 2.720 64.989 62.300 -0.052 0.000 1.038 200 V CB -1.552 30.280 31.823 0.015 0.000 0.651 200 V HN 0.667 nan 8.190 nan 0.000 0.450 201 A N 0.064 122.961 122.820 0.128 0.000 1.917 201 A HA -0.295 4.025 4.320 -0.000 0.000 0.219 201 A C 1.961 179.639 177.584 0.157 0.000 1.182 201 A CA 2.342 54.485 52.037 0.175 0.000 0.633 201 A CB -0.651 18.413 19.000 0.108 0.000 0.819 201 A HN 0.564 nan 8.150 nan 0.000 0.448 202 D N -0.382 120.057 120.400 0.066 0.000 2.183 202 D HA -0.021 4.618 4.640 -0.000 0.000 0.203 202 D C 1.811 178.153 176.300 0.069 0.000 0.969 202 D CA 0.737 54.771 54.000 0.057 0.000 0.842 202 D CB -0.310 40.495 40.800 0.008 0.000 0.957 202 D HN 0.531 nan 8.370 nan 0.000 0.484 203 I N 0.040 120.601 120.570 -0.015 0.000 2.179 203 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 203 I C 2.004 178.132 176.117 0.019 0.000 1.088 203 I CA 0.910 62.179 61.300 -0.052 0.000 1.357 203 I CB -0.200 37.627 38.000 -0.287 0.000 1.051 203 I HN -0.103 nan 8.210 nan 0.000 0.409 204 F N 1.142 121.123 119.950 0.053 0.000 2.134 204 F HA -0.247 4.280 4.527 -0.000 0.000 0.299 204 F C 2.932 178.782 175.800 0.083 0.000 1.097 204 F CA 1.880 59.922 58.000 0.070 0.000 1.264 204 F CB -0.689 38.347 39.000 0.060 0.000 1.001 204 F HN 0.133 nan 8.300 nan 0.000 0.479 205 S N -1.487 114.367 115.700 0.257 0.000 2.489 205 S HA -0.073 4.396 4.470 -0.000 0.000 0.228 205 S C 1.753 176.422 174.600 0.115 0.000 0.995 205 S CA 0.706 59.003 58.200 0.161 0.000 0.934 205 S CB -0.660 62.613 63.200 0.122 0.000 0.771 205 S HN 0.341 nan 8.310 nan 0.000 0.522 206 S N -0.679 115.103 115.700 0.137 0.000 2.524 206 S HA 0.249 4.719 4.470 -0.000 0.000 0.215 206 S C 0.090 174.631 174.600 -0.098 0.000 0.986 206 S CA -0.783 57.491 58.200 0.123 0.000 0.911 206 S CB -0.620 62.753 63.200 0.289 0.000 0.805 206 S HN 0.588 nan 8.310 nan 0.000 0.501 207 Y N 3.008 123.147 120.300 -0.268 0.000 2.313 207 Y HA 0.658 5.208 4.550 -0.000 0.000 0.332 207 Y C -0.058 175.572 175.900 -0.450 0.000 1.071 207 Y CA -0.782 56.931 58.100 -0.646 0.000 1.169 207 Y CB 0.583 38.778 38.460 -0.443 0.000 1.192 207 Y HN 0.015 nan 8.280 nan 0.000 0.487 208 R N 6.508 126.169 120.500 -1.398 0.000 2.673 208 R HA 0.383 4.723 4.340 -0.000 0.000 0.281 208 R C -2.977 172.548 176.300 -1.292 0.000 0.991 208 R CA -2.341 53.143 56.100 -1.027 0.000 0.896 208 R CB 1.577 31.569 30.300 -0.512 0.000 1.201 208 R HN 0.558 nan 8.270 nan 0.000 0.457 209 P HA 0.089 nan 4.420 nan 0.000 0.271 209 P C 0.604 177.742 177.300 -0.270 0.000 1.216 209 P CA 0.494 63.346 63.100 -0.413 0.000 0.776 209 P CB 0.709 32.351 31.700 -0.098 0.000 0.881 210 G N 2.226 110.935 108.800 -0.151 0.000 2.195 210 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.246 210 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.246 210 G C 0.846 175.715 174.900 -0.051 0.000 0.984 210 G CA 0.114 45.173 45.100 -0.068 0.000 0.633 210 G HN 0.445 nan 8.290 nan 0.000 0.525 211 I N 0.504 121.004 120.570 -0.116 0.000 2.277 211 I HA 0.107 4.277 4.170 -0.000 0.000 0.243 211 I C 2.700 178.905 176.117 0.147 0.000 1.094 211 I CA 2.021 63.304 61.300 -0.029 0.000 1.393 211 I CB -1.002 36.922 38.000 -0.127 0.000 1.078 211 I HN 0.493 nan 8.210 nan 0.000 0.417 212 L N -1.415 119.960 121.223 0.254 0.000 3.417 212 L HA -0.292 4.047 4.340 -0.000 0.000 0.368 212 L C 0.484 177.578 176.870 0.373 0.000 0.810 212 L CA 1.139 56.226 54.840 0.411 0.000 3.108 212 L CB -1.369 40.934 42.059 0.406 0.000 0.687 212 L HN 0.130 nan 8.230 nan 0.000 0.756 213 L N 0.220 121.620 121.223 0.296 0.000 2.318 213 L HA 0.477 4.816 4.340 -0.000 0.000 0.277 213 L C -0.570 176.363 176.870 0.106 0.000 1.008 213 L CA -0.399 54.474 54.840 0.055 0.000 0.846 213 L CB 1.130 43.216 42.059 0.046 0.000 1.220 213 L HN 0.350 nan 8.230 nan 0.000 0.423 214 W N 2.713 123.879 121.300 -0.224 0.000 3.047 214 W HA 0.516 5.176 4.660 -0.000 0.000 0.341 214 W C -1.260 175.095 176.519 -0.273 0.000 1.225 214 W CA -0.868 56.326 57.345 -0.252 0.000 1.150 214 W CB 0.736 30.131 29.460 -0.109 0.000 1.470 214 W HN 0.159 nan 8.180 nan 0.000 0.578 215 H N 1.095 120.257 119.070 0.154 0.000 2.467 215 H HA 0.494 5.049 4.556 -0.000 0.000 0.326 215 H C -0.730 174.681 175.328 0.137 0.000 1.094 215 H CA -0.675 55.395 56.048 0.037 0.000 1.253 215 H CB 2.012 31.810 29.762 0.060 0.000 1.439 215 H HN 0.311 nan 8.280 nan 0.000 0.479 216 V N 3.648 123.657 119.914 0.158 0.000 2.275 216 V HA -0.009 4.111 4.120 -0.000 0.000 0.272 216 V C 1.441 177.594 176.094 0.097 0.000 1.028 216 V CA -0.302 62.090 62.300 0.154 0.000 0.810 216 V CB 0.863 32.756 31.823 0.117 0.000 1.043 216 V HN 0.887 nan 8.190 nan 0.000 0.453 217 S N 2.806 118.561 115.700 0.091 0.000 2.419 217 S HA -0.156 4.314 4.470 -0.000 0.000 0.233 217 S C 1.776 176.391 174.600 0.025 0.000 1.016 217 S CA 1.390 59.617 58.200 0.045 0.000 0.974 217 S CB -0.282 62.936 63.200 0.031 0.000 0.786 217 S HN 0.868 nan 8.310 nan 0.000 0.492 218 S N 1.212 116.923 115.700 0.018 0.000 2.593 218 S HA 0.090 4.560 4.470 -0.000 0.000 0.217 218 S C 0.722 175.313 174.600 -0.015 0.000 0.966 218 S CA -0.441 57.756 58.200 -0.005 0.000 0.914 218 S CB -0.661 62.528 63.200 -0.018 0.000 0.776 218 S HN 0.857 nan 8.310 nan 0.000 0.523 219 Q N 1.024 120.828 119.800 0.005 0.000 2.382 219 Q HA 0.552 4.892 4.340 -0.000 0.000 0.229 219 Q C -0.611 175.413 176.000 0.039 0.000 1.006 219 Q CA -0.495 55.320 55.803 0.020 0.000 0.916 219 Q CB 0.699 29.483 28.738 0.076 0.000 1.235 219 Q HN 0.130 nan 8.270 nan 0.000 0.512 220 S N 1.801 117.544 115.700 0.071 0.000 2.706 220 S HA 0.446 4.916 4.470 -0.000 0.000 0.270 220 S C -1.701 173.017 174.600 0.198 0.000 1.163 220 S CA -0.726 57.547 58.200 0.121 0.000 1.042 220 S CB 0.661 63.912 63.200 0.084 0.000 1.079 220 S HN 0.510 nan 8.310 nan 0.000 0.474 221 L N 3.925 125.189 121.223 0.069 0.000 2.334 221 L HA 0.645 4.985 4.340 -0.000 0.000 0.272 221 L C 1.084 177.662 176.870 -0.488 0.000 1.020 221 L CA -0.118 54.650 54.840 -0.120 0.000 0.812 221 L CB 1.653 43.655 42.059 -0.094 0.000 1.264 221 L HN 0.833 nan 8.230 nan 0.000 0.439 222 S N 0.695 115.867 115.700 -0.880 0.000 2.633 222 S HA 0.544 5.014 4.470 -0.000 0.000 0.257 222 S C -0.179 174.015 174.600 -0.676 0.000 1.265 222 S CA -0.318 57.175 58.200 -1.178 0.000 0.980 222 S CB 0.197 62.928 63.200 -0.782 0.000 1.017 222 S HN 0.208 nan 8.310 nan 0.000 0.577 223 F N -0.439 119.480 119.950 -0.052 0.000 2.541 223 F HA 0.508 5.035 4.527 -0.000 0.000 0.331 223 F C 0.658 176.231 175.800 -0.378 0.000 1.057 223 F CA -1.130 56.804 58.000 -0.110 0.000 0.975 223 F CB 0.891 39.833 39.000 -0.097 0.000 1.246 223 F HN 0.484 nan 8.300 nan 0.000 0.484 224 D N 0.257 120.357 120.400 -0.501 0.000 2.312 224 D HA 0.424 5.064 4.640 -0.000 0.000 0.248 224 D C -0.915 175.199 176.300 -0.309 0.000 1.086 224 D CA 0.211 53.788 54.000 -0.706 0.000 0.948 224 D CB 1.743 41.973 40.800 -0.950 0.000 1.162 224 D HN 0.437 nan 8.370 nan 0.000 0.446 225 S N -0.719 114.841 115.700 -0.233 0.000 2.564 225 S HA 0.404 4.874 4.470 -0.000 0.000 0.274 225 S C 0.006 174.603 174.600 -0.005 0.000 1.124 225 S CA -0.447 57.661 58.200 -0.154 0.000 0.869 225 S CB 1.082 64.122 63.200 -0.266 0.000 1.105 225 S HN 0.361 nan 8.310 nan 0.000 0.472 226 S N 2.004 117.705 115.700 0.001 0.000 2.554 226 S HA 0.228 4.697 4.470 -0.000 0.000 0.226 226 S C 0.158 174.760 174.600 0.003 0.000 0.980 226 S CA -0.391 57.866 58.200 0.095 0.000 0.939 226 S CB -0.390 62.821 63.200 0.019 0.000 0.832 226 S HN 0.577 nan 8.310 nan 0.000 0.486 227 N N 3.394 122.051 118.700 -0.071 0.000 2.401 227 N HA 0.299 5.039 4.740 -0.000 0.000 0.255 227 N C -2.061 173.105 175.510 -0.573 0.000 1.110 227 N CA -2.102 50.853 53.050 -0.158 0.000 0.949 227 N CB 1.261 39.784 38.487 0.061 0.000 1.110 227 N HN -0.015 nan 8.380 nan 0.000 0.490 228 P HA -0.093 nan 4.420 nan 0.000 0.221 228 P C 0.622 177.196 177.300 -1.209 0.000 1.145 228 P CA 1.051 63.201 63.100 -1.583 0.000 0.795 228 P CB 0.341 31.634 31.700 -0.678 0.000 0.775 229 E N -1.559 118.186 120.200 -0.759 0.000 2.171 229 E HA -0.215 4.135 4.350 -0.000 0.000 0.197 229 E C 1.230 177.127 176.600 -1.171 0.000 0.997 229 E CA 1.125 56.929 56.400 -0.994 0.000 0.810 229 E CB -0.478 28.776 29.700 -0.744 0.000 0.738 229 E HN 0.425 nan 8.360 nan 0.000 0.467 230 Y N -0.780 119.188 120.300 -0.554 0.000 2.523 230 Y HA 0.077 4.627 4.550 -0.000 0.000 0.279 230 Y C 0.446 176.331 175.900 -0.025 0.000 1.139 230 Y CA -0.110 57.904 58.100 -0.143 0.000 1.296 230 Y CB 0.204 38.698 38.460 0.057 0.000 1.045 230 Y HN -0.101 nan 8.280 nan 0.000 0.538 231 F N 2.053 121.856 119.950 -0.244 0.000 2.578 231 F HA -0.060 4.467 4.527 -0.000 0.000 0.376 231 F C 0.696 176.341 175.800 -0.259 0.000 1.085 231 F CA -0.291 57.589 58.000 -0.199 0.000 1.260 231 F CB 0.362 39.200 39.000 -0.271 0.000 1.095 231 F HN 0.259 nan 8.300 nan 0.000 0.573 232 D N 2.190 122.635 120.400 0.075 0.000 2.811 232 D HA -0.182 4.458 4.640 -0.000 0.000 0.231 232 D C 1.243 177.270 176.300 -0.455 0.000 1.157 232 D CA 0.790 54.691 54.000 -0.165 0.000 0.716 232 D CB -1.221 39.439 40.800 -0.232 0.000 1.077 232 D HN 0.884 nan 8.370 nan 0.000 0.428 233 G N -0.517 108.215 108.800 -0.115 0.000 2.623 233 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.214 233 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.214 233 G C 0.480 175.463 174.900 0.138 0.000 1.138 233 G CA -0.024 45.075 45.100 -0.002 0.000 0.794 233 G HN 0.347 nan 8.290 nan 0.000 0.535 234 Y N -2.478 117.988 120.300 0.277 0.000 3.389 234 Y HA -0.158 4.392 4.550 -0.000 0.000 0.213 234 Y C 0.448 176.510 175.900 0.271 0.000 1.272 234 Y CA -0.632 57.617 58.100 0.250 0.000 1.444 234 Y CB -2.540 36.071 38.460 0.251 0.000 1.445 234 Y HN 0.456 nan 8.280 nan 0.000 0.583 235 W N 1.830 123.292 121.300 0.269 0.000 2.692 235 W HA 0.426 5.085 4.660 -0.000 0.000 0.339 235 W C 1.151 177.737 176.519 0.112 0.000 1.415 235 W CA 1.734 59.196 57.345 0.195 0.000 1.389 235 W CB 0.196 29.805 29.460 0.249 0.000 1.492 235 W HN 0.643 nan 8.180 nan 0.000 0.545 236 G N 3.977 112.703 108.800 -0.124 0.000 2.175 236 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.182 236 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.182 236 G C 0.513 175.379 174.900 -0.056 0.000 1.003 236 G CA 0.043 45.048 45.100 -0.158 0.000 0.666 236 G HN 0.604 nan 8.290 nan 0.000 0.506 237 Y N 2.229 122.458 120.300 -0.119 0.000 2.207 237 Y HA 0.161 4.710 4.550 -0.000 0.000 0.287 237 Y C 1.702 177.648 175.900 0.077 0.000 1.156 237 Y CA 2.419 60.476 58.100 -0.071 0.000 1.182 237 Y CB 0.205 38.689 38.460 0.040 0.000 0.979 237 Y HN 0.718 nan 8.280 nan 0.000 0.521 238 S N -1.225 114.572 115.700 0.163 0.000 2.564 238 S HA 0.655 5.125 4.470 -0.000 0.000 0.274 238 S C -1.383 173.171 174.600 -0.076 0.000 1.124 238 S CA -0.665 57.561 58.200 0.043 0.000 0.869 238 S CB 1.943 65.163 63.200 0.032 0.000 1.105 238 S HN 0.039 nan 8.310 nan 0.000 0.472 239 V N 0.316 120.177 119.914 -0.088 0.000 3.012 239 V HA 0.950 5.070 4.120 -0.000 0.000 0.307 239 V C -0.892 175.149 176.094 -0.087 0.000 1.166 239 V CA 0.140 62.363 62.300 -0.129 0.000 0.974 239 V CB 1.772 33.496 31.823 -0.166 0.000 1.040 239 V HN 1.818 nan 8.190 nan 0.000 0.428 240 A N 3.874 126.654 122.820 -0.067 0.000 2.602 240 A HA 0.965 5.285 4.320 -0.000 0.000 0.290 240 A C -1.114 176.500 177.584 0.050 0.000 1.114 240 A CA 0.006 52.034 52.037 -0.016 0.000 0.683 240 A CB 1.924 20.921 19.000 -0.006 0.000 1.281 240 A HN 2.054 nan 8.150 nan 0.000 0.416 241 V N -2.035 117.932 119.914 0.088 0.000 3.001 241 V HA 1.067 5.187 4.120 -0.000 0.000 0.314 241 V C 0.069 176.271 176.094 0.180 0.000 1.099 241 V CA 0.176 62.589 62.300 0.187 0.000 0.989 241 V CB 1.297 33.234 31.823 0.190 0.000 1.040 241 V HN 2.365 nan 8.190 nan 0.000 0.434 242 G N 1.349 110.319 108.800 0.284 0.000 2.488 242 G HA2 0.554 4.514 3.960 -0.000 0.000 0.301 242 G HA3 0.554 4.514 3.960 -0.000 0.000 0.301 242 G C -1.906 173.173 174.900 0.299 0.000 1.339 242 G CA -0.411 44.846 45.100 0.261 0.000 0.803 242 G HN 1.072 nan 8.290 nan 0.000 0.482 243 E N -0.346 119.958 120.200 0.174 0.000 2.141 243 E HA 0.686 5.036 4.350 -0.000 0.000 0.259 243 E C -1.009 175.429 176.600 -0.271 0.000 0.883 243 E CA -0.727 55.671 56.400 -0.004 0.000 0.744 243 E CB 0.717 30.360 29.700 -0.095 0.000 1.150 243 E HN 0.258 nan 8.360 nan 0.000 0.420 244 F N 1.828 121.847 119.950 0.116 0.000 2.798 244 F HA 0.178 4.705 4.527 -0.000 0.000 0.328 244 F C 0.942 176.816 175.800 0.124 0.000 1.098 244 F CA -0.245 57.834 58.000 0.132 0.000 1.172 244 F CB 0.894 39.994 39.000 0.166 0.000 1.072 244 F HN 0.444 nan 8.300 nan 0.000 0.555 245 D N -1.018 119.508 120.400 0.209 0.000 2.440 245 D HA 0.235 4.875 4.640 -0.000 0.000 0.216 245 D C 1.814 178.159 176.300 0.075 0.000 1.150 245 D CA 0.629 54.708 54.000 0.132 0.000 0.832 245 D CB 0.185 41.036 40.800 0.086 0.000 0.992 245 D HN 0.249 nan 8.370 nan 0.000 0.502 246 G N 0.904 109.737 108.800 0.054 0.000 2.284 246 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.261 246 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.261 246 G C 0.055 174.960 174.900 0.010 0.000 0.997 246 G CA 0.413 45.526 45.100 0.023 0.000 0.621 246 G HN 0.604 nan 8.290 nan 0.000 0.534 247 D N 0.847 121.256 120.400 0.016 0.000 2.411 247 D HA 0.470 5.110 4.640 -0.000 0.000 0.225 247 D C 1.772 178.075 176.300 0.005 0.000 1.156 247 D CA -0.519 53.486 54.000 0.009 0.000 0.874 247 D CB 0.142 40.949 40.800 0.012 0.000 1.034 247 D HN 0.193 nan 8.370 nan 0.000 0.502 248 L N 3.291 124.511 121.223 -0.004 0.000 2.362 248 L HA -0.089 4.251 4.340 -0.000 0.000 0.219 248 L C 1.846 178.717 176.870 0.003 0.000 1.134 248 L CA 0.379 55.215 54.840 -0.007 0.000 0.807 248 L CB -0.308 41.742 42.059 -0.015 0.000 0.927 248 L HN 0.370 nan 8.230 nan 0.000 0.447 249 N N -0.181 118.522 118.700 0.005 0.000 2.409 249 N HA -0.069 4.671 4.740 -0.000 0.000 0.179 249 N C 0.628 176.141 175.510 0.006 0.000 1.032 249 N CA 0.780 53.834 53.050 0.008 0.000 0.898 249 N CB 0.137 38.630 38.487 0.010 0.000 0.971 249 N HN 0.296 nan 8.380 nan 0.000 0.441 250 T N -2.593 111.964 114.554 0.005 0.000 2.907 250 T HA 0.494 4.844 4.350 -0.000 0.000 0.284 250 T C -0.041 174.650 174.700 -0.014 0.000 1.004 250 T CA -0.712 61.383 62.100 -0.009 0.000 1.063 250 T CB 1.705 70.573 68.868 -0.001 0.000 0.992 250 T HN -0.143 nan 8.240 nan 0.000 0.483 251 T N 2.601 117.122 114.554 -0.055 0.000 2.824 251 T HA 0.515 4.865 4.350 -0.000 0.000 0.280 251 T C -0.505 174.096 174.700 -0.165 0.000 0.995 251 T CA -0.589 61.486 62.100 -0.042 0.000 1.009 251 T CB 1.339 70.212 68.868 0.008 0.000 0.955 251 T HN 0.667 nan 8.240 nan 0.000 0.452 252 E N 1.432 121.618 120.200 -0.023 0.000 2.191 252 E HA 0.510 4.859 4.350 -0.000 0.000 0.274 252 E C -1.128 175.523 176.600 0.085 0.000 0.948 252 E CA -0.552 55.825 56.400 -0.039 0.000 0.802 252 E CB 0.798 30.622 29.700 0.206 0.000 1.137 252 E HN 0.429 nan 8.360 nan 0.000 0.397 253 Y N 0.211 120.548 120.300 0.062 0.000 2.420 253 Y HA 0.531 5.081 4.550 -0.000 0.000 0.334 253 Y C -0.128 175.755 175.900 -0.030 0.000 1.094 253 Y CA -1.385 56.728 58.100 0.022 0.000 1.126 253 Y CB 1.060 39.533 38.460 0.021 0.000 1.217 253 Y HN 0.146 nan 8.280 nan 0.000 0.462 254 V N 3.788 123.759 119.914 0.095 0.000 2.409 254 V HA 0.560 4.680 4.120 -0.000 0.000 0.291 254 V C -0.626 175.387 176.094 -0.134 0.000 1.020 254 V CA -0.853 61.408 62.300 -0.065 0.000 0.848 254 V CB 1.504 33.272 31.823 -0.092 0.000 0.990 254 V HN 0.531 nan 8.190 nan 0.000 0.430 255 V N 3.316 123.096 119.914 -0.225 0.000 2.540 255 V HA 0.734 4.854 4.120 -0.000 0.000 0.302 255 V C 0.654 176.541 176.094 -0.344 0.000 1.035 255 V CA -0.520 61.533 62.300 -0.412 0.000 0.873 255 V CB 1.978 33.258 31.823 -0.906 0.000 0.992 255 V HN 0.923 nan 8.190 nan 0.000 0.428 256 G N 2.619 111.261 108.800 -0.263 0.000 2.325 256 G HA2 0.588 4.548 3.960 -0.000 0.000 0.298 256 G HA3 0.588 4.548 3.960 -0.000 0.000 0.298 256 G C -0.110 174.737 174.900 -0.088 0.000 1.134 256 G CA -0.059 44.952 45.100 -0.148 0.000 0.876 256 G HN 1.180 nan 8.290 nan 0.000 0.452 257 A N 4.929 127.746 122.820 -0.003 0.000 2.978 257 A HA 0.644 4.964 4.320 -0.000 0.000 0.341 257 A C -1.433 176.206 177.584 0.093 0.000 1.105 257 A CA -1.217 50.912 52.037 0.154 0.000 0.819 257 A CB 1.412 20.625 19.000 0.355 0.000 1.080 257 A HN 0.461 nan 8.150 nan 0.000 0.476 258 P HA -0.068 nan 4.420 nan 0.000 0.230 258 P C 0.906 177.964 177.300 -0.403 0.000 1.158 258 P CA 1.491 64.397 63.100 -0.323 0.000 0.769 258 P CB 0.048 31.281 31.700 -0.779 0.000 0.807 259 T N -7.134 107.273 114.554 -0.245 0.000 3.132 259 T HA 0.128 4.478 4.350 -0.000 0.000 0.274 259 T C 0.014 174.648 174.700 -0.110 0.000 1.011 259 T CA -0.747 61.221 62.100 -0.219 0.000 0.899 259 T CB -0.875 67.787 68.868 -0.344 0.000 1.089 259 T HN -0.053 nan 8.240 nan 0.000 0.543 260 W N 2.642 123.840 121.300 -0.170 0.000 2.293 260 W HA 0.361 5.021 4.660 -0.000 0.000 0.342 260 W C 0.746 177.157 176.519 -0.181 0.000 1.274 260 W CA 1.252 58.486 57.345 -0.186 0.000 1.290 260 W CB 0.198 29.575 29.460 -0.139 0.000 1.176 260 W HN 0.330 nan 8.180 nan 0.000 0.570 261 S N 6.550 121.575 115.700 -1.125 0.000 3.527 261 S HA -0.242 4.228 4.470 -0.000 0.000 0.409 261 S C 0.077 174.597 174.600 -0.133 0.000 0.900 261 S CA 0.809 58.481 58.200 -0.880 0.000 1.320 261 S CB -1.559 60.981 63.200 -1.100 0.000 0.915 261 S HN 0.992 nan 8.310 nan 0.000 0.575 262 W N -0.100 121.014 121.300 -0.311 0.000 5.361 262 W HA -0.343 4.317 4.660 -0.000 0.000 0.385 262 W C 1.265 177.715 176.519 -0.115 0.000 1.458 262 W CA 1.365 58.604 57.345 -0.178 0.000 0.922 262 W CB -3.013 26.350 29.460 -0.162 0.000 2.606 262 W HN 1.792 nan 8.180 nan 0.000 1.450 263 T N -4.697 109.853 114.554 -0.006 0.000 5.888 263 T HA -0.372 3.978 4.350 -0.000 0.000 0.275 263 T C 0.777 175.517 174.700 0.066 0.000 2.123 263 T CA 1.370 63.482 62.100 0.019 0.000 3.523 263 T CB -1.669 67.240 68.868 0.068 0.000 1.240 263 T HN 0.338 nan 8.240 nan 0.000 1.133 264 L N 1.724 122.996 121.223 0.081 0.000 2.093 264 L HA 0.468 4.808 4.340 -0.000 0.000 0.208 264 L C 1.592 178.535 176.870 0.122 0.000 1.085 264 L CA 2.856 57.755 54.840 0.100 0.000 0.755 264 L CB -0.940 41.185 42.059 0.109 0.000 0.904 264 L HN 1.680 nan 8.230 nan 0.000 0.435 265 G N -1.442 107.468 108.800 0.183 0.000 2.705 265 G HA2 0.357 4.317 3.960 -0.000 0.000 0.686 265 G HA3 0.357 4.317 3.960 -0.000 0.000 0.686 265 G C -0.625 174.455 174.900 0.301 0.000 1.285 265 G CA -0.290 44.947 45.100 0.229 0.000 0.800 265 G HN 1.148 nan 8.290 nan 0.000 0.611 266 A N -0.115 122.874 122.820 0.281 0.000 2.608 266 A HA 0.942 5.262 4.320 -0.000 0.000 0.292 266 A C -0.744 176.882 177.584 0.070 0.000 1.066 266 A CA 0.087 52.179 52.037 0.092 0.000 0.676 266 A CB 1.892 20.597 19.000 -0.491 0.000 1.277 266 A HN 2.138 nan 8.150 nan 0.000 0.413 267 V N 1.105 121.040 119.914 0.034 0.000 2.604 267 V HA 0.567 4.687 4.120 -0.000 0.000 0.305 267 V C -0.368 175.639 176.094 -0.146 0.000 1.043 267 V CA -0.452 61.785 62.300 -0.106 0.000 0.888 267 V CB 1.825 33.543 31.823 -0.175 0.000 0.995 267 V HN 0.927 nan 8.190 nan 0.000 0.429 268 E N 3.681 123.810 120.200 -0.118 0.000 2.238 268 E HA 0.601 4.951 4.350 -0.000 0.000 0.267 268 E C -1.312 175.252 176.600 -0.060 0.000 0.887 268 E CA -0.712 55.663 56.400 -0.042 0.000 0.769 268 E CB 2.925 32.717 29.700 0.153 0.000 1.187 268 E HN 0.514 nan 8.360 nan 0.000 0.416 269 I N 3.915 124.456 120.570 -0.048 0.000 2.336 269 I HA 0.336 4.506 4.170 -0.000 0.000 0.292 269 I C -0.557 175.576 176.117 0.028 0.000 0.991 269 I CA -0.439 60.819 61.300 -0.069 0.000 1.227 269 I CB 0.594 38.520 38.000 -0.123 0.000 1.366 269 I HN 0.242 nan 8.210 nan 0.000 0.466 270 L N 4.873 126.138 121.223 0.069 0.000 2.333 270 L HA 0.505 4.845 4.340 -0.000 0.000 0.263 270 L C -0.510 176.353 176.870 -0.012 0.000 1.014 270 L CA -1.048 53.859 54.840 0.112 0.000 0.820 270 L CB 1.832 44.070 42.059 0.298 0.000 1.352 270 L HN 0.550 nan 8.230 nan 0.000 0.421 271 D N -0.803 119.582 120.400 -0.026 0.000 2.433 271 D HA 0.086 4.726 4.640 -0.000 0.000 0.255 271 D C 0.926 177.018 176.300 -0.346 0.000 1.226 271 D CA -0.228 53.693 54.000 -0.131 0.000 1.015 271 D CB 0.866 41.663 40.800 -0.006 0.000 1.091 271 D HN 0.511 nan 8.370 nan 0.000 0.527 272 S N -1.446 113.974 115.700 -0.468 0.000 2.522 272 S HA -0.117 4.353 4.470 -0.000 0.000 0.227 272 S C 1.280 175.479 174.600 -0.669 0.000 0.986 272 S CA 0.165 57.911 58.200 -0.756 0.000 0.929 272 S CB -0.778 62.067 63.200 -0.591 0.000 0.769 272 S HN 0.520 nan 8.310 nan 0.000 0.529 273 Y N 0.422 120.542 120.300 -0.301 0.000 2.490 273 Y HA 0.265 4.815 4.550 -0.000 0.000 0.281 273 Y C -0.129 175.808 175.900 0.062 0.000 1.174 273 Y CA -0.658 57.369 58.100 -0.123 0.000 1.295 273 Y CB -0.776 37.697 38.460 0.023 0.000 1.062 273 Y HN 0.202 nan 8.280 nan 0.000 0.522 274 Y N -1.404 119.062 120.300 0.277 0.000 4.272 274 Y HA -0.299 4.251 4.550 -0.000 0.000 0.232 274 Y C 0.173 176.260 175.900 0.312 0.000 1.149 274 Y CA -0.416 57.872 58.100 0.314 0.000 1.961 274 Y CB -2.632 35.994 38.460 0.276 0.000 1.611 274 Y HN 0.250 nan 8.280 nan 0.000 0.682 275 Q N 0.943 120.933 119.800 0.317 0.000 2.288 275 Q HA 0.263 4.603 4.340 -0.000 0.000 0.258 275 Q C 0.651 176.746 176.000 0.157 0.000 0.957 275 Q CA -0.705 55.219 55.803 0.203 0.000 0.919 275 Q CB 1.115 29.919 28.738 0.110 0.000 1.185 275 Q HN 0.309 nan 8.270 nan 0.000 0.408 276 R N 3.074 123.658 120.500 0.141 0.000 2.449 276 R HA 0.033 4.373 4.340 -0.000 0.000 0.296 276 R C 0.482 176.785 176.300 0.005 0.000 1.047 276 R CA 0.199 56.363 56.100 0.106 0.000 1.018 276 R CB 0.328 30.696 30.300 0.113 0.000 0.962 276 R HN 0.708 nan 8.270 nan 0.000 0.428 277 L N 2.805 123.990 121.223 -0.063 0.000 2.362 277 L HA 0.199 4.539 4.340 -0.000 0.000 0.204 277 L C 0.183 176.766 176.870 -0.478 0.000 1.060 277 L CA 0.290 54.971 54.840 -0.265 0.000 0.827 277 L CB 0.119 42.005 42.059 -0.287 0.000 1.027 277 L HN 0.710 nan 8.230 nan 0.000 0.474 278 H N -1.317 117.732 119.070 -0.034 0.000 2.961 278 H HA 0.547 5.103 4.556 -0.000 0.000 0.371 278 H C -0.989 174.281 175.328 -0.098 0.000 1.190 278 H CA -0.735 55.269 56.048 -0.073 0.000 1.138 278 H CB 2.189 31.874 29.762 -0.128 0.000 1.816 278 H HN -0.167 nan 8.280 nan 0.000 0.551 279 R N 2.206 122.714 120.500 0.015 0.000 2.575 279 R HA 0.457 4.797 4.340 -0.000 0.000 0.293 279 R C -1.802 174.407 176.300 -0.151 0.000 0.983 279 R CA -0.737 55.295 56.100 -0.114 0.000 0.887 279 R CB 1.111 31.300 30.300 -0.185 0.000 1.184 279 R HN 0.547 nan 8.270 nan 0.000 0.445 280 L N 4.920 126.022 121.223 -0.202 0.000 2.287 280 L HA 0.566 4.905 4.340 -0.000 0.000 0.287 280 L C 0.183 176.953 176.870 -0.166 0.000 1.022 280 L CA -0.772 53.944 54.840 -0.207 0.000 0.814 280 L CB 1.683 43.539 42.059 -0.339 0.000 1.217 280 L HN 0.501 nan 8.230 nan 0.000 0.420 281 R N 1.256 121.611 120.500 -0.242 0.000 2.500 281 R HA 0.520 4.859 4.340 -0.000 0.000 0.277 281 R C 0.406 176.238 176.300 -0.780 0.000 1.026 281 R CA -0.616 55.303 56.100 -0.301 0.000 1.058 281 R CB 1.102 31.335 30.300 -0.111 0.000 1.078 281 R HN 0.758 nan 8.270 nan 0.000 0.509 282 G N 0.011 108.365 108.800 -0.744 0.000 2.569 282 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.249 282 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.249 282 G C 0.174 174.783 174.900 -0.486 0.000 1.216 282 G CA -0.283 44.213 45.100 -1.006 0.000 0.845 282 G HN 0.808 nan 8.290 nan 0.000 0.568 283 E N -0.844 119.159 120.200 -0.327 0.000 2.307 283 E HA 0.056 4.405 4.350 -0.000 0.000 0.195 283 E C 0.694 177.368 176.600 0.123 0.000 0.975 283 E CA 0.222 56.607 56.400 -0.024 0.000 0.878 283 E CB 0.173 29.958 29.700 0.142 0.000 0.845 283 E HN 0.515 nan 8.360 nan 0.000 0.488 284 Q N 0.653 120.553 119.800 0.166 0.000 2.295 284 Q HA 0.229 4.569 4.340 -0.000 0.000 0.268 284 Q C -1.275 174.819 176.000 0.157 0.000 1.010 284 Q CA -0.499 55.414 55.803 0.184 0.000 0.856 284 Q CB 1.456 30.353 28.738 0.265 0.000 1.349 284 Q HN 0.070 nan 8.270 nan 0.000 0.412 285 M N 2.519 122.185 119.600 0.110 0.000 2.249 285 M HA 0.154 4.634 4.480 -0.000 0.000 0.340 285 M C 1.042 177.425 176.300 0.138 0.000 1.166 285 M CA 1.650 57.016 55.300 0.110 0.000 1.115 285 M CB 0.506 33.155 32.600 0.083 0.000 1.606 285 M HN 1.012 nan 8.290 nan 0.000 0.448 286 A N 0.771 123.688 122.820 0.162 0.000 3.413 286 A HA -0.222 4.098 4.320 -0.000 0.000 0.268 286 A C 1.555 179.315 177.584 0.293 0.000 1.128 286 A CA 1.441 53.612 52.037 0.222 0.000 1.062 286 A CB -2.563 16.544 19.000 0.179 0.000 1.121 286 A HN 1.042 nan 8.150 nan 0.000 0.895 287 S N -2.504 113.370 115.700 0.290 0.000 2.515 287 S HA 0.077 4.547 4.470 -0.000 0.000 0.231 287 S C 0.768 175.634 174.600 0.444 0.000 0.987 287 S CA 1.284 59.704 58.200 0.366 0.000 0.936 287 S CB -0.478 62.995 63.200 0.454 0.000 0.766 287 S HN 1.690 nan 8.310 nan 0.000 0.528 288 Y N -0.389 120.045 120.300 0.225 0.000 3.689 288 Y HA -0.224 4.326 4.550 -0.000 0.000 0.221 288 Y C 0.048 176.083 175.900 0.225 0.000 1.247 288 Y CA 0.077 58.288 58.100 0.185 0.000 1.671 288 Y CB -2.517 36.023 38.460 0.133 0.000 1.521 288 Y HN 0.559 nan 8.280 nan 0.000 0.632 289 F N 1.298 121.322 119.950 0.124 0.000 2.546 289 F HA 0.351 4.878 4.527 -0.000 0.000 0.388 289 F C 1.244 177.049 175.800 0.009 0.000 1.051 289 F CA 1.731 59.777 58.000 0.077 0.000 1.130 289 F CB 0.157 39.158 39.000 0.002 0.000 1.044 289 F HN 0.371 nan 8.300 nan 0.000 0.553 290 G N 4.238 112.865 108.800 -0.288 0.000 2.192 290 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.193 290 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.193 290 G C 1.231 176.111 174.900 -0.033 0.000 0.999 290 G CA 0.147 45.127 45.100 -0.200 0.000 0.659 290 G HN 0.769 nan 8.290 nan 0.000 0.503 291 H N 0.725 119.787 119.070 -0.013 0.000 2.352 291 H HA 0.112 4.668 4.556 -0.000 0.000 0.299 291 H C 0.471 175.875 175.328 0.126 0.000 1.097 291 H CA 2.091 58.211 56.048 0.120 0.000 1.311 291 H CB 0.274 30.167 29.762 0.218 0.000 1.377 291 H HN 0.383 nan 8.280 nan 0.000 0.504 292 S N 0.204 115.979 115.700 0.126 0.000 2.536 292 S HA 0.484 4.954 4.470 -0.000 0.000 0.287 292 S C -0.813 173.760 174.600 -0.045 0.000 1.101 292 S CA -0.486 57.730 58.200 0.025 0.000 0.950 292 S CB 2.822 66.062 63.200 0.068 0.000 1.056 292 S HN 0.294 nan 8.310 nan 0.000 0.481 293 V N -0.811 119.069 119.914 -0.057 0.000 2.876 293 V HA 1.069 5.189 4.120 -0.000 0.000 0.312 293 V C -0.549 175.523 176.094 -0.036 0.000 1.085 293 V CA -0.994 61.266 62.300 -0.066 0.000 0.945 293 V CB 1.191 32.958 31.823 -0.092 0.000 1.017 293 V HN 1.140 nan 8.190 nan 0.000 0.428 294 A N 2.774 125.588 122.820 -0.010 0.000 2.486 294 A HA 0.910 5.230 4.320 -0.000 0.000 0.300 294 A C -1.218 176.390 177.584 0.040 0.000 1.048 294 A CA -0.680 51.361 52.037 0.005 0.000 0.696 294 A CB 2.217 21.218 19.000 0.001 0.000 1.278 294 A HN 1.436 nan 8.150 nan 0.000 0.405 295 V N 1.278 121.203 119.914 0.019 0.000 2.444 295 V HA 0.869 4.989 4.120 -0.000 0.000 0.294 295 V C -0.113 175.919 176.094 -0.104 0.000 1.022 295 V CA -0.077 62.227 62.300 0.007 0.000 0.850 295 V CB 1.518 33.337 31.823 -0.008 0.000 0.992 295 V HN 1.171 nan 8.190 nan 0.000 0.426 296 T N 2.425 116.954 114.554 -0.041 0.000 3.128 296 T HA 0.221 4.571 4.350 -0.000 0.000 0.363 296 T C -1.881 172.894 174.700 0.126 0.000 1.610 296 T CA -0.612 61.500 62.100 0.020 0.000 1.126 296 T CB 1.553 70.445 68.868 0.040 0.000 1.416 296 T HN 0.801 nan 8.240 nan 0.000 0.480 297 D N 2.929 123.452 120.400 0.205 0.000 2.336 297 D HA 0.295 4.935 4.640 -0.000 0.000 0.249 297 D C 1.498 177.877 176.300 0.131 0.000 1.213 297 D CA -0.018 54.075 54.000 0.155 0.000 0.870 297 D CB 0.924 41.794 40.800 0.117 0.000 1.076 297 D HN 0.412 nan 8.370 nan 0.000 0.483 298 V N 1.781 121.768 119.914 0.121 0.000 3.471 298 V HA 0.138 4.258 4.120 -0.000 0.000 0.258 298 V C 0.997 177.174 176.094 0.139 0.000 1.192 298 V CA 0.540 62.911 62.300 0.119 0.000 1.116 298 V CB -0.443 31.425 31.823 0.076 0.000 0.792 298 V HN 0.561 nan 8.190 nan 0.000 0.459 299 N N 0.777 119.562 118.700 0.141 0.000 2.234 299 N HA 0.275 5.015 4.740 -0.000 0.000 0.227 299 N C 1.322 177.032 175.510 0.333 0.000 1.151 299 N CA 0.256 53.392 53.050 0.144 0.000 0.865 299 N CB 0.383 38.896 38.487 0.044 0.000 1.066 299 N HN 0.778 nan 8.380 nan 0.000 0.515 300 G N 1.606 110.601 108.800 0.325 0.000 2.155 300 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.257 300 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.257 300 G C 0.297 175.246 174.900 0.081 0.000 0.983 300 G CA 0.635 45.843 45.100 0.180 0.000 0.676 300 G HN 0.637 nan 8.290 nan 0.000 0.528 301 D N -0.598 119.848 120.400 0.077 0.000 2.349 301 D HA 0.362 5.002 4.640 -0.000 0.000 0.214 301 D C 1.808 178.104 176.300 -0.006 0.000 1.063 301 D CA 0.588 54.608 54.000 0.034 0.000 0.847 301 D CB -0.560 40.263 40.800 0.040 0.000 0.933 301 D HN 1.510 nan 8.370 nan 0.000 0.513 302 G N 0.561 109.348 108.800 -0.021 0.000 2.179 302 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.260 302 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.260 302 G C 0.139 174.960 174.900 -0.132 0.000 0.977 302 G CA -0.107 44.949 45.100 -0.074 0.000 0.641 302 G HN 0.426 nan 8.290 nan 0.000 0.533 303 R N 0.403 120.849 120.500 -0.090 0.000 2.295 303 R HA 0.383 4.723 4.340 -0.000 0.000 0.324 303 R C -0.072 176.171 176.300 -0.095 0.000 0.968 303 R CA -0.743 55.282 56.100 -0.125 0.000 0.837 303 R CB 0.671 30.943 30.300 -0.046 0.000 1.133 303 R HN 0.558 nan 8.270 nan 0.000 0.450 304 H N 1.578 120.512 119.070 -0.227 0.000 3.064 304 H HA -0.033 4.523 4.556 -0.000 0.000 0.329 304 H C -0.161 175.069 175.328 -0.163 0.000 1.020 304 H CA 0.247 56.131 56.048 -0.273 0.000 1.402 304 H CB 0.671 30.096 29.762 -0.562 0.000 1.379 304 H HN 0.390 nan 8.280 nan 0.000 0.594 305 D N 2.032 122.531 120.400 0.164 0.000 2.326 305 D HA 0.239 4.879 4.640 -0.000 0.000 0.248 305 D C -0.604 175.888 176.300 0.319 0.000 1.001 305 D CA -0.695 53.449 54.000 0.240 0.000 0.961 305 D CB 2.375 43.275 40.800 0.167 0.000 1.183 305 D HN 0.120 nan 8.370 nan 0.000 0.502 306 L N 0.899 122.337 121.223 0.357 0.000 2.341 306 L HA 0.496 4.836 4.340 -0.000 0.000 0.278 306 L C -1.655 175.384 176.870 0.281 0.000 1.005 306 L CA -0.468 54.550 54.840 0.297 0.000 0.818 306 L CB 1.266 43.431 42.059 0.178 0.000 1.259 306 L HN 0.265 nan 8.230 nan 0.000 0.418 307 L N 5.564 126.892 121.223 0.174 0.000 2.362 307 L HA 0.751 5.091 4.340 -0.000 0.000 0.275 307 L C -0.918 176.000 176.870 0.081 0.000 0.998 307 L CA -0.596 54.326 54.840 0.136 0.000 0.820 307 L CB 2.120 44.211 42.059 0.052 0.000 1.270 307 L HN 0.361 nan 8.230 nan 0.000 0.415 308 V N 1.445 121.421 119.914 0.104 0.000 2.656 308 V HA 0.747 4.867 4.120 -0.000 0.000 0.307 308 V C 0.259 176.341 176.094 -0.020 0.000 1.051 308 V CA -0.631 61.619 62.300 -0.084 0.000 0.893 308 V CB 1.923 33.522 31.823 -0.374 0.000 0.999 308 V HN 0.810 nan 8.190 nan 0.000 0.426 309 G N 2.192 110.952 108.800 -0.067 0.000 2.379 309 G HA2 0.656 4.615 3.960 -0.000 0.000 0.327 309 G HA3 0.656 4.615 3.960 -0.000 0.000 0.327 309 G C -0.422 174.539 174.900 0.102 0.000 1.145 309 G CA -0.280 44.847 45.100 0.045 0.000 0.905 309 G HN 1.163 nan 8.290 nan 0.000 0.466 310 A N 4.246 127.224 122.820 0.265 0.000 2.893 310 A HA 0.664 4.984 4.320 -0.000 0.000 0.333 310 A C -1.572 176.222 177.584 0.350 0.000 1.152 310 A CA -1.250 51.014 52.037 0.378 0.000 0.782 310 A CB 1.515 20.890 19.000 0.625 0.000 1.108 310 A HN 0.443 nan 8.150 nan 0.000 0.469 311 P HA -0.018 nan 4.420 nan 0.000 0.233 311 P C 0.562 177.999 177.300 0.228 0.000 1.167 311 P CA 0.700 63.910 63.100 0.184 0.000 0.770 311 P CB 0.261 31.955 31.700 -0.010 0.000 0.837 312 L N -1.594 119.786 121.223 0.261 0.000 2.872 312 L HA 0.257 4.597 4.340 -0.000 0.000 0.245 312 L C 0.637 177.668 176.870 0.268 0.000 1.211 312 L CA -0.929 54.057 54.840 0.243 0.000 1.013 312 L CB -0.553 41.630 42.059 0.206 0.000 1.326 312 L HN -0.096 nan 8.230 nan 0.000 0.525 313 Y N 2.131 122.561 120.300 0.217 0.000 2.620 313 Y HA 0.089 4.638 4.550 -0.000 0.000 0.330 313 Y C 0.336 176.319 175.900 0.139 0.000 1.186 313 Y CA 0.354 58.575 58.100 0.201 0.000 1.467 313 Y CB 0.456 39.056 38.460 0.232 0.000 1.262 313 Y HN 0.074 nan 8.280 nan 0.000 0.550 314 M N 6.656 125.873 119.600 -0.639 0.000 2.088 314 M HA 0.201 4.681 4.480 -0.000 0.000 0.346 314 M C -0.444 175.438 176.300 -0.696 0.000 1.111 314 M CA -0.284 54.741 55.300 -0.459 0.000 1.017 314 M CB 1.219 33.672 32.600 -0.246 0.000 1.568 314 M HN 0.685 nan 8.290 nan 0.000 0.445 315 E N 1.768 121.799 120.200 -0.282 0.000 2.331 315 E HA 0.236 4.586 4.350 -0.000 0.000 0.272 315 E C -0.705 175.856 176.600 -0.065 0.000 1.036 315 E CA -0.263 56.101 56.400 -0.061 0.000 0.864 315 E CB 1.104 30.852 29.700 0.079 0.000 1.035 315 E HN 0.569 nan 8.360 nan 0.000 0.408 316 S N 3.220 118.913 115.700 -0.012 0.000 2.549 316 S HA 0.280 4.750 4.470 -0.000 0.000 0.279 316 S C -0.140 174.457 174.600 -0.007 0.000 1.321 316 S CA -0.272 57.921 58.200 -0.012 0.000 1.054 316 S CB 0.636 63.843 63.200 0.012 0.000 0.899 316 S HN 0.396 nan 8.310 nan 0.000 0.497 317 R N 0.627 121.118 120.500 -0.015 0.000 2.855 317 R HA 0.653 4.993 4.340 -0.000 0.000 0.266 317 R C -0.481 175.812 176.300 -0.011 0.000 1.034 317 R CA -1.085 55.007 56.100 -0.014 0.000 0.944 317 R CB 1.221 31.507 30.300 -0.023 0.000 1.219 317 R HN 0.654 nan 8.270 nan 0.000 0.474 318 A N 0.825 123.639 122.820 -0.009 0.000 2.555 318 A HA 0.070 4.390 4.320 -0.000 0.000 0.233 318 A C -0.200 177.380 177.584 -0.008 0.000 1.060 318 A CA 0.731 52.764 52.037 -0.007 0.000 0.759 318 A CB -0.282 18.714 19.000 -0.006 0.000 0.995 318 A HN 0.857 nan 8.150 nan 0.000 0.506 319 D N -0.231 120.166 120.400 -0.005 0.000 2.746 319 D HA -0.171 4.469 4.640 -0.000 0.000 0.236 319 D C 0.322 176.619 176.300 -0.006 0.000 1.129 319 D CA 1.500 55.497 54.000 -0.005 0.000 0.691 319 D CB -1.155 39.642 40.800 -0.005 0.000 1.077 319 D HN 0.800 nan 8.370 nan 0.000 0.432 320 R N -2.163 118.334 120.500 -0.006 0.000 3.741 320 R HA -0.264 4.076 4.340 -0.000 0.000 0.292 320 R C -0.101 176.193 176.300 -0.011 0.000 1.176 320 R CA 1.213 57.309 56.100 -0.007 0.000 0.794 320 R CB -1.308 28.990 30.300 -0.005 0.000 1.213 320 R HN 0.369 nan 8.270 nan 0.000 0.494 321 K N 0.614 121.005 120.400 -0.014 0.000 2.118 321 K HA 0.589 4.908 4.320 -0.000 0.000 0.254 321 K C -0.094 176.487 176.600 -0.032 0.000 0.961 321 K CA -0.675 55.600 56.287 -0.020 0.000 0.876 321 K CB 1.232 33.720 32.500 -0.019 0.000 1.077 321 K HN -0.047 nan 8.250 nan 0.000 0.440 322 L N 1.288 122.487 121.223 -0.040 0.000 2.362 322 L HA 0.630 4.970 4.340 -0.000 0.000 0.271 322 L C -0.849 175.977 176.870 -0.073 0.000 1.002 322 L CA -0.824 53.978 54.840 -0.063 0.000 0.818 322 L CB 2.084 44.103 42.059 -0.066 0.000 1.298 322 L HN 0.681 nan 8.230 nan 0.000 0.420 323 A N 2.067 124.831 122.820 -0.094 0.000 2.375 323 A HA 0.344 4.663 4.320 -0.000 0.000 0.291 323 A C -0.553 176.967 177.584 -0.108 0.000 1.160 323 A CA -0.501 51.467 52.037 -0.116 0.000 0.747 323 A CB 0.971 19.908 19.000 -0.106 0.000 1.170 323 A HN 0.724 nan 8.150 nan 0.000 0.458 324 E N 2.121 122.255 120.200 -0.110 0.000 2.383 324 E HA 0.222 4.572 4.350 -0.000 0.000 0.257 324 E C 0.548 177.151 176.600 0.005 0.000 1.079 324 E CA 0.551 56.944 56.400 -0.012 0.000 0.934 324 E CB 0.461 30.226 29.700 0.107 0.000 0.978 324 E HN 0.802 nan 8.360 nan 0.000 0.462 325 V N 1.237 121.205 119.914 0.090 0.000 3.426 325 V HA 0.432 4.552 4.120 -0.000 0.000 0.271 325 V C 0.605 176.840 176.094 0.235 0.000 1.530 325 V CA 0.411 62.784 62.300 0.122 0.000 1.021 325 V CB -0.051 31.807 31.823 0.058 0.000 0.824 325 V HN 0.837 nan 8.190 nan 0.000 0.432 326 G N 0.823 109.809 108.800 0.310 0.000 2.712 326 G HA2 0.025 3.985 3.960 -0.000 0.000 0.686 326 G HA3 0.025 3.985 3.960 -0.000 0.000 0.686 326 G C -0.677 174.472 174.900 0.415 0.000 1.321 326 G CA -0.056 45.281 45.100 0.396 0.000 0.813 326 G HN 0.939 nan 8.290 nan 0.000 0.599 327 R N -0.837 119.891 120.500 0.379 0.000 2.707 327 R HA 0.726 5.066 4.340 -0.000 0.000 0.272 327 R C -1.365 175.022 176.300 0.146 0.000 1.011 327 R CA -0.813 55.377 56.100 0.150 0.000 0.893 327 R CB 2.169 32.261 30.300 -0.346 0.000 1.233 327 R HN 0.894 nan 8.270 nan 0.000 0.464 328 V N 3.353 123.279 119.914 0.019 0.000 2.656 328 V HA 0.506 4.626 4.120 -0.000 0.000 0.307 328 V C -1.466 174.499 176.094 -0.216 0.000 1.051 328 V CA -0.652 61.640 62.300 -0.014 0.000 0.893 328 V CB 1.845 33.632 31.823 -0.061 0.000 0.999 328 V HN 0.634 nan 8.190 nan 0.000 0.426 329 Y N 4.421 124.697 120.300 -0.040 0.000 2.328 329 Y HA 0.637 5.187 4.550 -0.000 0.000 0.337 329 Y C -0.221 175.540 175.900 -0.231 0.000 0.966 329 Y CA -0.893 57.117 58.100 -0.151 0.000 1.136 329 Y CB 1.708 40.173 38.460 0.008 0.000 1.170 329 Y HN 0.500 nan 8.280 nan 0.000 0.470 330 L N 4.969 126.051 121.223 -0.236 0.000 2.264 330 L HA 0.589 4.929 4.340 -0.000 0.000 0.289 330 L C -1.695 174.968 176.870 -0.346 0.000 1.044 330 L CA -0.546 54.193 54.840 -0.168 0.000 0.807 330 L CB -0.140 41.845 42.059 -0.123 0.000 1.192 330 L HN 0.385 nan 8.230 nan 0.000 0.425 331 F N 5.959 125.956 119.950 0.078 0.000 2.375 331 F HA 0.465 4.992 4.527 -0.000 0.000 0.361 331 F C -0.215 175.633 175.800 0.080 0.000 1.117 331 F CA -0.583 57.460 58.000 0.071 0.000 1.037 331 F CB 1.071 40.106 39.000 0.058 0.000 1.192 331 F HN 0.235 nan 8.300 nan 0.000 0.452 332 L N 3.358 124.694 121.223 0.188 0.000 2.305 332 L HA 0.327 4.667 4.340 -0.000 0.000 0.281 332 L C 0.214 177.179 176.870 0.158 0.000 1.085 332 L CA -0.549 54.378 54.840 0.144 0.000 0.813 332 L CB 1.263 43.368 42.059 0.077 0.000 1.157 332 L HN 0.611 nan 8.230 nan 0.000 0.436 333 Q N 5.898 125.793 119.800 0.158 0.000 2.295 333 Q HA 0.281 4.620 4.340 -0.000 0.000 0.259 333 Q C -2.256 173.804 176.000 0.100 0.000 0.976 333 Q CA -1.551 54.344 55.803 0.154 0.000 0.923 333 Q CB 1.243 30.075 28.738 0.157 0.000 1.185 333 Q HN 0.298 nan 8.270 nan 0.000 0.410 334 P HA 0.164 nan 4.420 nan 0.000 0.282 334 P C -1.045 176.297 177.300 0.071 0.000 1.287 334 P CA -0.471 62.664 63.100 0.057 0.000 0.792 334 P CB 0.855 32.576 31.700 0.036 0.000 1.163 335 R N -0.737 119.783 120.500 0.033 0.000 2.531 335 R HA 0.472 4.812 4.340 -0.000 0.000 0.273 335 R C 0.594 177.001 176.300 0.180 0.000 1.070 335 R CA 0.846 56.985 56.100 0.065 0.000 1.112 335 R CB -0.340 29.975 30.300 0.025 0.000 1.049 335 R HN 0.860 nan 8.270 nan 0.000 0.508 336 G N 3.087 111.996 108.800 0.182 0.000 2.750 336 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.228 336 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.228 336 G C -2.186 172.845 174.900 0.217 0.000 1.367 336 G CA -0.299 44.940 45.100 0.232 0.000 0.871 336 G HN 0.594 nan 8.290 nan 0.000 0.560 337 P HA 0.215 nan 4.420 nan 0.000 0.235 337 P C -0.132 177.125 177.300 -0.071 0.000 1.725 337 P CA 0.139 63.240 63.100 0.003 0.000 0.894 337 P CB -0.516 31.149 31.700 -0.058 0.000 1.704 338 H N 0.373 119.504 119.070 0.101 0.000 2.482 338 H HA 0.548 5.104 4.556 -0.000 0.000 0.344 338 H C 0.771 176.199 175.328 0.167 0.000 1.151 338 H CA -0.363 55.749 56.048 0.108 0.000 1.300 338 H CB 0.914 30.724 29.762 0.081 0.000 1.494 338 H HN 0.149 nan 8.280 nan 0.000 0.542 339 A N 2.079 125.066 122.820 0.278 0.000 2.366 339 A HA 0.268 4.587 4.320 -0.000 0.000 0.249 339 A C -0.405 177.238 177.584 0.100 0.000 1.084 339 A CA -0.529 51.675 52.037 0.278 0.000 0.794 339 A CB 0.032 19.170 19.000 0.230 0.000 1.034 339 A HN 0.504 nan 8.150 nan 0.000 0.491 340 L N 1.614 122.729 121.223 -0.180 0.000 2.453 340 L HA 0.378 4.718 4.340 -0.000 0.000 0.272 340 L C 1.266 178.150 176.870 0.023 0.000 1.182 340 L CA 1.398 56.165 54.840 -0.121 0.000 0.858 340 L CB 0.357 42.220 42.059 -0.326 0.000 1.120 340 L HN 0.887 nan 8.230 nan 0.000 0.474 341 G N 1.527 110.402 108.800 0.124 0.000 2.695 341 G HA2 0.647 4.607 3.960 -0.000 0.000 0.213 341 G HA3 0.647 4.607 3.960 -0.000 0.000 0.213 341 G C -0.412 174.633 174.900 0.243 0.000 1.406 341 G CA -0.108 45.080 45.100 0.146 0.000 1.049 341 G HN 0.874 nan 8.290 nan 0.000 0.573 342 A N -0.133 122.797 122.820 0.182 0.000 2.366 342 A HA 0.596 4.916 4.320 -0.000 0.000 0.250 342 A C -2.128 175.517 177.584 0.102 0.000 1.099 342 A CA -0.647 51.500 52.037 0.184 0.000 0.794 342 A CB -0.409 18.648 19.000 0.095 0.000 1.056 342 A HN 0.407 nan 8.150 nan 0.000 0.499 343 P HA 0.205 nan 4.420 nan 0.000 0.271 343 P C 0.338 177.521 177.300 -0.195 0.000 1.216 343 P CA 0.005 62.849 63.100 -0.427 0.000 0.776 343 P CB 0.900 32.343 31.700 -0.428 0.000 0.881 344 S N 1.252 116.843 115.700 -0.183 0.000 2.461 344 S HA 0.059 4.529 4.470 -0.000 0.000 0.228 344 S C 0.515 175.045 174.600 -0.117 0.000 1.005 344 S CA 0.594 58.734 58.200 -0.100 0.000 0.942 344 S CB -0.333 62.830 63.200 -0.061 0.000 0.776 344 S HN 0.397 nan 8.310 nan 0.000 0.514 345 L N 0.619 121.740 121.223 -0.170 0.000 2.549 345 L HA 0.478 4.818 4.340 -0.000 0.000 0.259 345 L C -2.077 174.656 176.870 -0.228 0.000 0.934 345 L CA -0.416 54.324 54.840 -0.166 0.000 0.865 345 L CB 1.395 43.368 42.059 -0.144 0.000 1.352 345 L HN -0.011 nan 8.230 nan 0.000 0.410 346 L N 5.562 126.644 121.223 -0.235 0.000 2.313 346 L HA 0.574 4.914 4.340 -0.000 0.000 0.283 346 L C -0.944 175.762 176.870 -0.273 0.000 1.013 346 L CA -0.639 53.999 54.840 -0.338 0.000 0.816 346 L CB 1.586 43.425 42.059 -0.368 0.000 1.236 346 L HN 0.489 nan 8.230 nan 0.000 0.419 347 L N 3.217 124.281 121.223 -0.265 0.000 2.296 347 L HA 0.556 4.896 4.340 -0.000 0.000 0.286 347 L C -0.225 176.531 176.870 -0.190 0.000 1.023 347 L CA -0.245 54.482 54.840 -0.188 0.000 0.812 347 L CB 1.840 43.811 42.059 -0.147 0.000 1.223 347 L HN 0.567 nan 8.230 nan 0.000 0.421 348 T N 1.436 115.777 114.554 -0.355 0.000 2.829 348 T HA 0.458 4.808 4.350 -0.000 0.000 0.280 348 T C 0.449 174.732 174.700 -0.695 0.000 0.999 348 T CA -0.568 61.308 62.100 -0.373 0.000 0.983 348 T CB 1.838 70.599 68.868 -0.179 0.000 0.968 348 T HN 0.712 nan 8.240 nan 0.000 0.446 349 G N 0.875 109.250 108.800 -0.710 0.000 2.636 349 G HA2 0.376 4.336 3.960 -0.000 0.000 0.246 349 G HA3 0.376 4.336 3.960 -0.000 0.000 0.246 349 G C 0.911 175.670 174.900 -0.234 0.000 1.216 349 G CA 0.012 44.759 45.100 -0.588 0.000 0.854 349 G HN 0.821 nan 8.290 nan 0.000 0.572 350 T N -2.943 111.530 114.554 -0.135 0.000 3.043 350 T HA 0.243 4.593 4.350 -0.000 0.000 0.272 350 T C 0.570 175.261 174.700 -0.015 0.000 0.990 350 T CA -0.088 61.973 62.100 -0.066 0.000 0.897 350 T CB 0.445 69.278 68.868 -0.058 0.000 1.111 350 T HN 0.419 nan 8.240 nan 0.000 0.529 351 Q N 1.706 121.521 119.800 0.024 0.000 2.293 351 Q HA 0.594 4.934 4.340 -0.000 0.000 0.261 351 Q C -0.822 175.197 176.000 0.032 0.000 0.960 351 Q CA -1.062 54.769 55.803 0.046 0.000 0.882 351 Q CB 1.335 30.133 28.738 0.100 0.000 1.275 351 Q HN 0.363 nan 8.270 nan 0.000 0.445 352 L N 5.491 126.690 121.223 -0.040 0.000 2.559 352 L HA 0.043 4.383 4.340 -0.000 0.000 0.274 352 L C -0.721 176.109 176.870 -0.066 0.000 1.205 352 L CA 1.115 55.835 54.840 -0.201 0.000 0.907 352 L CB -0.460 41.391 42.059 -0.347 0.000 1.153 352 L HN 0.795 nan 8.230 nan 0.000 0.490 353 Y N 1.705 122.058 120.300 0.088 0.000 4.490 353 Y HA -0.228 4.322 4.550 -0.000 0.000 0.233 353 Y C 1.657 177.661 175.900 0.173 0.000 1.101 353 Y CA 0.896 59.053 58.100 0.094 0.000 2.010 353 Y CB -2.206 36.278 38.460 0.040 0.000 1.622 353 Y HN 0.686 nan 8.280 nan 0.000 0.675 354 G N -0.132 108.853 108.800 0.309 0.000 2.511 354 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.217 354 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.217 354 G C 0.910 176.032 174.900 0.369 0.000 1.133 354 G CA 0.359 45.663 45.100 0.340 0.000 0.792 354 G HN 0.459 nan 8.290 nan 0.000 0.539 355 R N -1.449 119.253 120.500 0.336 0.000 3.422 355 R HA -0.193 4.147 4.340 -0.000 0.000 0.267 355 R C -0.184 176.268 176.300 0.253 0.000 1.074 355 R CA 0.228 56.498 56.100 0.284 0.000 0.718 355 R CB -2.484 28.000 30.300 0.307 0.000 1.157 355 R HN 0.399 nan 8.270 nan 0.000 0.440 356 F N 0.985 121.019 119.950 0.140 0.000 2.608 356 F HA 0.228 4.755 4.527 -0.000 0.000 0.380 356 F C 1.570 177.426 175.800 0.094 0.000 1.083 356 F CA 1.841 59.909 58.000 0.114 0.000 1.266 356 F CB 0.654 39.721 39.000 0.112 0.000 1.076 356 F HN 0.390 nan 8.300 nan 0.000 0.574 357 G N 3.202 111.713 108.800 -0.481 0.000 2.157 357 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.248 357 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.248 357 G C 1.075 175.925 174.900 -0.085 0.000 0.979 357 G CA 0.532 45.464 45.100 -0.280 0.000 0.650 357 G HN 0.971 nan 8.290 nan 0.000 0.529 358 S N -0.628 115.025 115.700 -0.078 0.000 2.423 358 S HA 0.519 4.989 4.470 -0.000 0.000 0.231 358 S C 1.201 175.811 174.600 0.017 0.000 1.014 358 S CA 1.943 60.110 58.200 -0.055 0.000 0.965 358 S CB -0.113 63.070 63.200 -0.029 0.000 0.785 358 S HN 1.999 nan 8.310 nan 0.000 0.495 359 A N 0.200 122.968 122.820 -0.086 0.000 2.520 359 A HA 0.730 5.050 4.320 -0.000 0.000 0.298 359 A C -1.313 176.199 177.584 -0.120 0.000 1.051 359 A CA -0.699 51.270 52.037 -0.113 0.000 0.690 359 A CB 1.134 20.024 19.000 -0.183 0.000 1.281 359 A HN 0.360 nan 8.150 nan 0.000 0.402 360 I N 1.472 121.988 120.570 -0.090 0.000 2.478 360 I HA 0.594 4.764 4.170 -0.000 0.000 0.287 360 I C 0.143 176.236 176.117 -0.040 0.000 1.042 360 I CA -0.500 60.757 61.300 -0.072 0.000 1.067 360 I CB 2.099 40.059 38.000 -0.066 0.000 1.233 360 I HN 0.757 nan 8.210 nan 0.000 0.431 361 A N 7.686 130.496 122.820 -0.017 0.000 2.304 361 A HA 0.825 5.145 4.320 -0.000 0.000 0.314 361 A C -2.739 174.866 177.584 0.034 0.000 1.187 361 A CA -1.733 50.309 52.037 0.009 0.000 0.810 361 A CB 0.778 19.787 19.000 0.014 0.000 1.183 361 A HN 0.340 nan 8.150 nan 0.000 0.487 362 P HA 0.169 nan 4.420 nan 0.000 0.267 362 P C 0.276 177.611 177.300 0.058 0.000 1.205 362 P CA 0.139 63.267 63.100 0.047 0.000 0.765 362 P CB 0.552 32.273 31.700 0.035 0.000 0.828 363 L N 1.958 123.217 121.223 0.061 0.000 2.616 363 L HA 0.257 4.597 4.340 -0.000 0.000 0.229 363 L C 1.459 178.351 176.870 0.038 0.000 1.110 363 L CA 0.375 55.251 54.840 0.059 0.000 0.884 363 L CB -0.659 41.438 42.059 0.065 0.000 1.115 363 L HN 0.677 nan 8.230 nan 0.000 0.481 364 G N 0.865 109.687 108.800 0.036 0.000 2.562 364 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.250 364 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.250 364 G C -0.394 174.526 174.900 0.034 0.000 1.269 364 G CA -0.071 45.042 45.100 0.021 0.000 0.919 364 G HN 0.234 nan 8.290 nan 0.000 0.574 365 D N 0.707 121.114 120.400 0.013 0.000 2.500 365 D HA 0.414 5.054 4.640 -0.000 0.000 0.219 365 D C 1.569 177.888 176.300 0.032 0.000 1.137 365 D CA -0.466 53.547 54.000 0.022 0.000 0.946 365 D CB 0.810 41.602 40.800 -0.014 0.000 1.022 365 D HN 0.394 nan 8.370 nan 0.000 0.518 366 L N 3.371 124.637 121.223 0.071 0.000 2.083 366 L HA -0.103 4.237 4.340 -0.000 0.000 0.209 366 L C 1.332 178.309 176.870 0.180 0.000 1.083 366 L CA 1.820 56.726 54.840 0.110 0.000 0.752 366 L CB -0.009 42.104 42.059 0.091 0.000 0.899 366 L HN 0.369 nan 8.230 nan 0.000 0.433 367 D N -1.998 118.487 120.400 0.141 0.000 2.395 367 D HA 0.008 4.647 4.640 -0.000 0.000 0.213 367 D C 0.511 176.883 176.300 0.121 0.000 1.110 367 D CA -0.317 53.788 54.000 0.175 0.000 0.835 367 D CB -0.223 40.652 40.800 0.125 0.000 0.965 367 D HN 0.280 nan 8.370 nan 0.000 0.505 368 R N 0.750 121.266 120.500 0.028 0.000 3.416 368 R HA -0.154 4.185 4.340 -0.000 0.000 0.263 368 R C -0.168 176.118 176.300 -0.023 0.000 1.053 368 R CA 1.046 57.111 56.100 -0.058 0.000 0.705 368 R CB -1.653 28.538 30.300 -0.183 0.000 1.124 368 R HN 0.396 nan 8.270 nan 0.000 0.444 369 D N -1.379 119.029 120.400 0.013 0.000 2.349 369 D HA 0.118 4.758 4.640 -0.000 0.000 0.214 369 D C 1.327 177.580 176.300 -0.078 0.000 1.063 369 D CA 0.799 54.809 54.000 0.017 0.000 0.847 369 D CB 0.424 41.283 40.800 0.099 0.000 0.933 369 D HN 0.404 nan 8.370 nan 0.000 0.513 370 G N -0.639 108.082 108.800 -0.132 0.000 2.259 370 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 370 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 370 G C -0.240 174.435 174.900 -0.376 0.000 1.001 370 G CA -0.200 44.721 45.100 -0.297 0.000 0.627 370 G HN 0.358 nan 8.290 nan 0.000 0.501 371 Y N 1.824 122.130 120.300 0.010 0.000 2.341 371 Y HA 0.588 5.138 4.550 -0.000 0.000 0.337 371 Y C 0.610 176.525 175.900 0.025 0.000 1.014 371 Y CA -1.190 56.922 58.100 0.019 0.000 1.111 371 Y CB 1.041 39.517 38.460 0.026 0.000 1.194 371 Y HN 0.020 nan 8.280 nan 0.000 0.462 372 N N 2.861 121.672 118.700 0.185 0.000 2.444 372 N HA 0.102 4.842 4.740 -0.000 0.000 0.255 372 N C -0.879 174.709 175.510 0.131 0.000 1.255 372 N CA 0.141 53.265 53.050 0.124 0.000 0.933 372 N CB 0.596 39.143 38.487 0.101 0.000 1.143 372 N HN 0.624 nan 8.380 nan 0.000 0.453 373 D N 0.035 120.498 120.400 0.106 0.000 2.493 373 D HA 0.572 5.212 4.640 -0.000 0.000 0.239 373 D C 0.198 176.561 176.300 0.105 0.000 1.049 373 D CA -0.350 53.717 54.000 0.111 0.000 1.008 373 D CB 1.929 42.791 40.800 0.103 0.000 1.398 373 D HN 0.476 nan 8.370 nan 0.000 0.513 374 I N -3.219 117.431 120.570 0.134 0.000 3.074 374 I HA 0.845 5.015 4.170 -0.000 0.000 0.310 374 I C -1.416 174.796 176.117 0.159 0.000 1.153 374 I CA -1.163 60.212 61.300 0.126 0.000 0.993 374 I CB 2.345 40.410 38.000 0.107 0.000 1.237 374 I HN 0.349 nan 8.210 nan 0.000 0.443 375 A N 3.498 126.383 122.820 0.109 0.000 2.342 375 A HA 0.824 5.144 4.320 -0.000 0.000 0.323 375 A C -0.968 176.657 177.584 0.068 0.000 1.125 375 A CA -0.641 51.452 52.037 0.093 0.000 0.785 375 A CB 1.633 20.645 19.000 0.020 0.000 1.221 375 A HN 0.561 nan 8.150 nan 0.000 0.463 376 V N 1.470 121.445 119.914 0.100 0.000 2.555 376 V HA 0.700 4.820 4.120 -0.000 0.000 0.302 376 V C 0.494 176.521 176.094 -0.111 0.000 1.038 376 V CA -0.395 61.856 62.300 -0.083 0.000 0.887 376 V CB 1.609 33.282 31.823 -0.251 0.000 0.991 376 V HN 1.204 nan 8.190 nan 0.000 0.434 377 A N 3.451 126.167 122.820 -0.173 0.000 2.301 377 A HA 0.844 5.164 4.320 -0.000 0.000 0.312 377 A C 0.211 177.753 177.584 -0.070 0.000 1.182 377 A CA -0.201 51.772 52.037 -0.108 0.000 0.826 377 A CB 1.075 19.997 19.000 -0.130 0.000 1.134 377 A HN 1.393 nan 8.150 nan 0.000 0.501 378 A N 4.270 127.135 122.820 0.076 0.000 2.802 378 A HA 0.652 4.972 4.320 -0.000 0.000 0.344 378 A C -2.163 175.501 177.584 0.132 0.000 1.215 378 A CA -1.340 50.806 52.037 0.181 0.000 0.821 378 A CB 0.339 19.543 19.000 0.339 0.000 1.099 378 A HN 0.475 nan 8.150 nan 0.000 0.479 379 P HA -0.102 nan 4.420 nan 0.000 0.228 379 P C -0.139 176.861 177.300 -0.500 0.000 1.151 379 P CA 1.496 64.472 63.100 -0.208 0.000 0.770 379 P CB -0.077 31.442 31.700 -0.302 0.000 0.786 380 Y N -1.909 118.508 120.300 0.195 0.000 2.715 380 Y HA 0.451 5.001 4.550 -0.000 0.000 0.255 380 Y C 1.526 177.530 175.900 0.174 0.000 1.139 380 Y CA -0.761 57.442 58.100 0.172 0.000 1.151 380 Y CB -0.051 38.503 38.460 0.157 0.000 1.201 380 Y HN -0.176 nan 8.280 nan 0.000 0.556 381 G N -0.189 108.761 108.800 0.250 0.000 2.543 381 G HA2 0.524 4.484 3.960 -0.000 0.000 0.290 381 G HA3 0.524 4.484 3.960 -0.000 0.000 0.290 381 G C 0.298 175.299 174.900 0.169 0.000 1.310 381 G CA 0.020 45.250 45.100 0.217 0.000 1.025 381 G HN 0.577 nan 8.290 nan 0.000 0.502 382 G N -1.284 107.596 108.800 0.134 0.000 2.733 382 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.686 382 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.686 382 G C -1.456 173.494 174.900 0.083 0.000 1.373 382 G CA -0.050 45.106 45.100 0.094 0.000 0.838 382 G HN 0.545 nan 8.290 nan 0.000 0.588 383 P HA -0.148 nan 4.420 nan 0.000 0.216 383 P C 2.139 179.474 177.300 0.058 0.000 1.154 383 P CA 2.664 65.794 63.100 0.050 0.000 0.865 383 P CB -0.043 31.677 31.700 0.033 0.000 0.789 384 S N -2.448 113.287 115.700 0.059 0.000 2.470 384 S HA 0.206 4.676 4.470 -0.000 0.000 0.225 384 S C 1.706 176.362 174.600 0.093 0.000 1.006 384 S CA 0.642 58.879 58.200 0.062 0.000 0.934 384 S CB -1.139 62.088 63.200 0.045 0.000 0.778 384 S HN 0.303 nan 8.310 nan 0.000 0.517 385 G N 1.713 110.585 108.800 0.119 0.000 2.136 385 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.242 385 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.242 385 G C 0.796 175.816 174.900 0.200 0.000 0.989 385 G CA 0.281 45.489 45.100 0.180 0.000 0.682 385 G HN 0.517 nan 8.290 nan 0.000 0.522 386 R N 0.242 120.823 120.500 0.135 0.000 2.236 386 R HA 0.383 4.723 4.340 -0.000 0.000 0.208 386 R C 1.430 177.803 176.300 0.121 0.000 1.036 386 R CA 0.978 57.146 56.100 0.114 0.000 1.001 386 R CB 0.102 30.432 30.300 0.050 0.000 0.896 386 R HN 1.519 nan 8.270 nan 0.000 0.464 387 G N 0.489 109.376 108.800 0.144 0.000 2.428 387 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.681 387 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.681 387 G C -1.516 173.566 174.900 0.304 0.000 1.340 387 G CA -0.885 44.352 45.100 0.229 0.000 0.915 387 G HN 0.111 nan 8.290 nan 0.000 0.645 388 Q N -1.083 118.952 119.800 0.391 0.000 2.353 388 Q HA 0.626 4.966 4.340 -0.000 0.000 0.275 388 Q C -1.362 174.822 176.000 0.307 0.000 1.029 388 Q CA -0.880 55.128 55.803 0.341 0.000 0.848 388 Q CB 2.862 31.729 28.738 0.215 0.000 1.390 388 Q HN 0.913 nan 8.270 nan 0.000 0.401 389 V N 3.746 123.826 119.914 0.276 0.000 2.487 389 V HA 0.529 4.649 4.120 -0.000 0.000 0.298 389 V C -1.133 174.986 176.094 0.042 0.000 1.028 389 V CA -0.691 61.662 62.300 0.088 0.000 0.860 389 V CB 1.562 33.358 31.823 -0.046 0.000 0.991 389 V HN 0.593 nan 8.190 nan 0.000 0.427 390 L N 5.451 126.701 121.223 0.046 0.000 2.333 390 L HA 0.625 4.965 4.340 -0.000 0.000 0.280 390 L C -0.191 176.561 176.870 -0.196 0.000 1.004 390 L CA -0.350 54.445 54.840 -0.074 0.000 0.820 390 L CB 1.872 43.957 42.059 0.043 0.000 1.247 390 L HN 0.360 nan 8.230 nan 0.000 0.416 391 V N 3.584 123.298 119.914 -0.334 0.000 2.407 391 V HA 0.450 4.570 4.120 -0.000 0.000 0.278 391 V C -0.566 175.258 176.094 -0.451 0.000 1.037 391 V CA -0.301 61.861 62.300 -0.230 0.000 0.900 391 V CB 1.040 32.790 31.823 -0.122 0.000 0.983 391 V HN 0.405 nan 8.190 nan 0.000 0.459 392 F N 4.806 124.775 119.950 0.033 0.000 2.477 392 F HA 0.581 5.108 4.527 -0.000 0.000 0.335 392 F C 0.053 175.870 175.800 0.028 0.000 1.130 392 F CA -0.631 57.389 58.000 0.033 0.000 0.948 392 F CB 1.402 40.425 39.000 0.038 0.000 1.154 392 F HN 0.193 nan 8.300 nan 0.000 0.439 393 L N 2.935 124.254 121.223 0.159 0.000 2.350 393 L HA 0.579 4.919 4.340 -0.000 0.000 0.275 393 L C 0.904 177.831 176.870 0.094 0.000 1.099 393 L CA -0.693 54.216 54.840 0.115 0.000 0.808 393 L CB 0.864 42.971 42.059 0.081 0.000 1.149 393 L HN 0.772 nan 8.230 nan 0.000 0.442 394 G N 1.729 110.583 108.800 0.090 0.000 2.572 394 G HA2 0.500 4.460 3.960 -0.000 0.000 0.261 394 G HA3 0.500 4.460 3.960 -0.000 0.000 0.261 394 G C -0.706 174.080 174.900 -0.190 0.000 1.197 394 G CA -0.172 44.939 45.100 0.018 0.000 0.870 394 G HN 0.755 nan 8.290 nan 0.000 0.548 395 Q N -1.953 117.542 119.800 -0.509 0.000 2.782 395 Q HA 0.434 4.774 4.340 -0.000 0.000 0.308 395 Q C 0.924 176.354 176.000 -0.950 0.000 0.883 395 Q CA -0.188 54.989 55.803 -1.042 0.000 0.755 395 Q CB 0.636 29.111 28.738 -0.439 0.000 1.454 395 Q HN 0.603 nan 8.270 nan 0.000 0.452 396 S N -0.268 114.974 115.700 -0.764 0.000 2.387 396 S HA -0.237 4.233 4.470 -0.000 0.000 0.230 396 S C 0.961 175.479 174.600 -0.137 0.000 1.035 396 S CA 1.820 59.878 58.200 -0.238 0.000 1.014 396 S CB -0.530 62.640 63.200 -0.050 0.000 0.836 396 S HN 0.629 nan 8.310 nan 0.000 0.466 397 E N 1.194 121.303 120.200 -0.150 0.000 2.481 397 E HA 0.352 4.702 4.350 -0.000 0.000 0.195 397 E C 1.375 177.928 176.600 -0.079 0.000 1.047 397 E CA 0.207 56.555 56.400 -0.087 0.000 0.867 397 E CB -0.012 29.645 29.700 -0.073 0.000 0.858 397 E HN 0.713 nan 8.360 nan 0.000 0.513 398 G N 0.915 109.652 108.800 -0.106 0.000 2.344 398 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.215 398 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.215 398 G C -0.681 174.176 174.900 -0.071 0.000 1.293 398 G CA -0.671 44.389 45.100 -0.067 0.000 1.305 398 G HN 0.063 nan 8.290 nan 0.000 0.484 399 L N 1.254 122.446 121.223 -0.050 0.000 2.303 399 L HA 0.688 5.028 4.340 -0.000 0.000 0.266 399 L C 0.555 177.424 176.870 -0.002 0.000 1.011 399 L CA -1.271 53.560 54.840 -0.016 0.000 0.818 399 L CB 1.726 43.772 42.059 -0.022 0.000 1.326 399 L HN 0.417 nan 8.230 nan 0.000 0.435 400 R N 0.229 120.770 120.500 0.069 0.000 2.490 400 R HA 0.142 4.482 4.340 -0.000 0.000 0.278 400 R C 0.741 177.131 176.300 0.150 0.000 1.069 400 R CA -0.197 55.957 56.100 0.089 0.000 1.080 400 R CB 1.209 31.573 30.300 0.106 0.000 1.030 400 R HN 0.627 nan 8.270 nan 0.000 0.491 401 S N 1.350 117.108 115.700 0.096 0.000 2.414 401 S HA 0.000 4.470 4.470 -0.000 0.000 0.227 401 S C 0.498 175.229 174.600 0.218 0.000 1.022 401 S CA 0.703 58.964 58.200 0.101 0.000 0.958 401 S CB 0.273 63.489 63.200 0.026 0.000 0.797 401 S HN 0.274 nan 8.310 nan 0.000 0.493 402 R N 2.534 123.131 120.500 0.163 0.000 2.265 402 R HA 0.415 4.755 4.340 -0.000 0.000 0.314 402 R C -2.681 173.663 176.300 0.074 0.000 1.053 402 R CA -2.750 53.419 56.100 0.116 0.000 0.931 402 R CB 0.094 30.420 30.300 0.044 0.000 1.024 402 R HN 0.330 nan 8.270 nan 0.000 0.457 403 P HA 0.033 nan 4.420 nan 0.000 0.271 403 P C 0.401 177.559 177.300 -0.237 0.000 1.218 403 P CA -0.112 62.693 63.100 -0.492 0.000 0.780 403 P CB 0.707 31.997 31.700 -0.684 0.000 0.901 404 S N 1.026 116.593 115.700 -0.221 0.000 2.453 404 S HA -0.079 4.391 4.470 -0.000 0.000 0.231 404 S C 0.700 175.236 174.600 -0.106 0.000 1.005 404 S CA 0.458 58.593 58.200 -0.108 0.000 0.949 404 S CB -0.247 62.916 63.200 -0.062 0.000 0.774 404 S HN 0.702 nan 8.310 nan 0.000 0.510 405 Q N -0.546 119.159 119.800 -0.158 0.000 2.479 405 Q HA 0.535 4.875 4.340 -0.000 0.000 0.276 405 Q C -2.455 173.464 176.000 -0.135 0.000 0.989 405 Q CA -0.632 55.103 55.803 -0.114 0.000 0.864 405 Q CB 2.132 30.820 28.738 -0.083 0.000 1.444 405 Q HN 0.141 nan 8.270 nan 0.000 0.388 406 V N 3.984 123.850 119.914 -0.082 0.000 2.487 406 V HA 0.473 4.593 4.120 -0.000 0.000 0.298 406 V C -0.535 175.541 176.094 -0.029 0.000 1.028 406 V CA -0.633 61.636 62.300 -0.051 0.000 0.860 406 V CB 1.592 33.402 31.823 -0.022 0.000 0.991 406 V HN 0.686 nan 8.190 nan 0.000 0.427 407 L N 4.363 125.577 121.223 -0.015 0.000 2.265 407 L HA 0.538 4.877 4.340 -0.000 0.000 0.289 407 L C -0.414 176.506 176.870 0.083 0.000 1.033 407 L CA -0.443 54.395 54.840 -0.003 0.000 0.814 407 L CB 1.302 43.283 42.059 -0.129 0.000 1.203 407 L HN 0.543 nan 8.230 nan 0.000 0.423 408 D N 1.659 122.054 120.400 -0.007 0.000 2.210 408 D HA 0.082 4.722 4.640 -0.000 0.000 0.249 408 D C 0.063 176.119 176.300 -0.405 0.000 1.062 408 D CA -0.054 53.887 54.000 -0.098 0.000 0.891 408 D CB 2.038 42.800 40.800 -0.065 0.000 1.186 408 D HN 0.335 nan 8.370 nan 0.000 0.432 409 S N 2.225 117.521 115.700 -0.673 0.000 2.575 409 S HA 0.041 4.511 4.470 -0.000 0.000 0.295 409 S C -1.453 172.808 174.600 -0.565 0.000 1.267 409 S CA -0.876 56.646 58.200 -1.130 0.000 1.074 409 S CB 0.520 63.394 63.200 -0.544 0.000 0.829 409 S HN 0.288 nan 8.310 nan 0.000 0.497 410 P HA 0.199 nan 4.420 nan 0.000 0.255 410 P C -0.399 176.566 177.300 -0.558 0.000 1.248 410 P CA 0.088 62.891 63.100 -0.494 0.000 0.807 410 P CB 0.014 31.459 31.700 -0.426 0.000 1.150 411 F N 1.264 121.143 119.950 -0.119 0.000 2.450 411 F HA 0.512 5.039 4.527 -0.000 0.000 0.328 411 F C -1.726 174.036 175.800 -0.062 0.000 1.068 411 F CA -2.818 55.134 58.000 -0.079 0.000 1.007 411 F CB -0.711 38.283 39.000 -0.010 0.000 1.251 411 F HN -0.278 nan 8.300 nan 0.000 0.492 412 P HA 0.137 nan 4.420 nan 0.000 0.277 412 P C -0.487 176.867 177.300 0.090 0.000 1.276 412 P CA -0.462 62.687 63.100 0.082 0.000 0.788 412 P CB 0.240 31.975 31.700 0.057 0.000 1.114 413 T N 0.297 114.894 114.554 0.072 0.000 2.946 413 T HA 0.309 4.659 4.350 -0.000 0.000 0.311 413 T C 1.314 176.067 174.700 0.089 0.000 1.063 413 T CA 1.805 63.960 62.100 0.090 0.000 1.139 413 T CB -0.685 68.228 68.868 0.076 0.000 0.994 413 T HN 0.822 nan 8.240 nan 0.000 0.547 414 G N 1.933 110.813 108.800 0.133 0.000 2.176 414 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.253 414 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.253 414 G C 1.250 176.157 174.900 0.012 0.000 0.979 414 G CA 0.978 46.149 45.100 0.119 0.000 0.641 414 G HN 1.037 nan 8.290 nan 0.000 0.530 415 S N -0.007 115.692 115.700 -0.002 0.000 2.447 415 S HA 0.358 4.827 4.470 -0.000 0.000 0.233 415 S C 2.080 176.518 174.600 -0.269 0.000 1.006 415 S CA 1.725 59.862 58.200 -0.104 0.000 0.957 415 S CB -0.274 62.947 63.200 0.036 0.000 0.773 415 S HN 2.400 nan 8.310 nan 0.000 0.507 416 A N -0.194 122.464 122.820 -0.270 0.000 2.872 416 A HA -0.204 4.116 4.320 -0.000 0.000 0.273 416 A C 0.204 177.703 177.584 -0.142 0.000 1.442 416 A CA 0.661 52.441 52.037 -0.429 0.000 0.801 416 A CB -3.040 15.501 19.000 -0.765 0.000 1.031 416 A HN 1.129 nan 8.150 nan 0.000 0.582 417 F N 0.321 120.202 119.950 -0.115 0.000 2.580 417 F HA 0.324 4.851 4.527 -0.000 0.000 0.398 417 F C 1.471 177.300 175.800 0.049 0.000 1.023 417 F CA 1.759 59.800 58.000 0.067 0.000 1.188 417 F CB -0.068 39.049 39.000 0.195 0.000 1.005 417 F HN 1.607 nan 8.300 nan 0.000 0.546 418 G N 5.150 113.647 108.800 -0.505 0.000 2.213 418 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.236 418 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.236 418 G C 0.859 175.677 174.900 -0.136 0.000 0.991 418 G CA 0.229 45.083 45.100 -0.409 0.000 0.629 418 G HN 0.810 nan 8.290 nan 0.000 0.517 419 F N 2.879 122.731 119.950 -0.163 0.000 2.236 419 F HA 0.144 4.671 4.527 -0.000 0.000 0.302 419 F C 1.558 177.293 175.800 -0.107 0.000 1.073 419 F CA 2.176 60.130 58.000 -0.077 0.000 1.336 419 F CB 0.101 39.122 39.000 0.034 0.000 1.040 419 F HN 0.560 nan 8.300 nan 0.000 0.507 420 S N -0.030 115.636 115.700 -0.056 0.000 2.548 420 S HA 0.739 5.209 4.470 -0.000 0.000 0.286 420 S C -1.113 173.416 174.600 -0.119 0.000 1.098 420 S CA -0.851 57.262 58.200 -0.144 0.000 0.930 420 S CB 2.445 65.601 63.200 -0.074 0.000 1.070 420 S HN 0.114 nan 8.310 nan 0.000 0.480 421 L N 1.104 122.257 121.223 -0.117 0.000 2.505 421 L HA 0.726 5.066 4.340 -0.000 0.000 0.259 421 L C -0.876 175.965 176.870 -0.049 0.000 0.952 421 L CA -0.707 54.084 54.840 -0.082 0.000 0.840 421 L CB 2.626 44.635 42.059 -0.085 0.000 1.358 421 L HN 0.788 nan 8.230 nan 0.000 0.409 422 R N 0.441 120.935 120.500 -0.009 0.000 2.626 422 R HA 0.800 5.140 4.340 -0.000 0.000 0.274 422 R C -0.791 175.687 176.300 0.298 0.000 1.031 422 R CA -0.160 55.992 56.100 0.085 0.000 0.898 422 R CB 2.263 32.541 30.300 -0.037 0.000 1.222 422 R HN 0.758 nan 8.270 nan 0.000 0.455 423 G N 0.352 109.355 108.800 0.339 0.000 3.166 423 G HA2 0.555 4.514 3.960 -0.000 0.000 0.267 423 G HA3 0.555 4.514 3.960 -0.000 0.000 0.267 423 G C -0.452 174.521 174.900 0.122 0.000 1.256 423 G CA -0.145 45.124 45.100 0.283 0.000 0.859 423 G HN 1.254 nan 8.290 nan 0.000 0.590 424 A N -2.527 120.287 122.820 -0.011 0.000 3.021 424 A HA -0.007 4.313 4.320 -0.000 0.000 0.257 424 A C 0.160 177.610 177.584 -0.224 0.000 1.277 424 A CA 1.187 53.179 52.037 -0.075 0.000 1.012 424 A CB -2.022 16.971 19.000 -0.011 0.000 1.147 424 A HN 1.716 nan 8.150 nan 0.000 0.861 425 V N 0.172 119.803 119.914 -0.472 0.000 2.760 425 V HA 0.551 4.671 4.120 -0.000 0.000 0.309 425 V C -0.624 175.118 176.094 -0.586 0.000 1.077 425 V CA -0.191 61.706 62.300 -0.672 0.000 0.910 425 V CB 2.031 33.098 31.823 -1.260 0.000 1.008 425 V HN 0.462 nan 8.190 nan 0.000 0.424 426 D N 3.197 123.375 120.400 -0.370 0.000 2.456 426 D HA 0.281 4.921 4.640 -0.000 0.000 0.219 426 D C 0.696 176.823 176.300 -0.290 0.000 1.126 426 D CA -0.048 53.797 54.000 -0.259 0.000 0.890 426 D CB 1.110 41.816 40.800 -0.157 0.000 1.025 426 D HN 0.532 nan 8.370 nan 0.000 0.511 427 I N 2.483 122.838 120.570 -0.358 0.000 2.617 427 I HA -0.119 4.051 4.170 -0.000 0.000 0.256 427 I C 0.989 176.737 176.117 -0.615 0.000 1.167 427 I CA 0.884 61.925 61.300 -0.430 0.000 1.469 427 I CB 0.389 38.116 38.000 -0.456 0.000 1.098 427 I HN 0.353 nan 8.210 nan 0.000 0.436 428 D N -1.446 118.634 120.400 -0.534 0.000 2.398 428 D HA -0.045 4.595 4.640 -0.000 0.000 0.210 428 D C 0.556 176.810 176.300 -0.078 0.000 1.094 428 D CA 0.155 53.957 54.000 -0.330 0.000 0.839 428 D CB -0.119 40.562 40.800 -0.198 0.000 0.963 428 D HN 0.235 nan 8.370 nan 0.000 0.506 429 D N 0.616 120.962 120.400 -0.090 0.000 3.017 429 D HA -0.194 4.446 4.640 -0.000 0.000 0.220 429 D C 0.457 176.763 176.300 0.011 0.000 1.141 429 D CA 1.029 55.011 54.000 -0.030 0.000 0.848 429 D CB -1.521 39.279 40.800 0.000 0.000 1.102 429 D HN 0.424 nan 8.370 nan 0.000 0.427 430 N N 0.195 118.914 118.700 0.030 0.000 2.336 430 N HA 0.140 4.880 4.740 -0.000 0.000 0.189 430 N C 1.560 177.178 175.510 0.180 0.000 1.113 430 N CA 1.259 54.366 53.050 0.096 0.000 0.858 430 N CB 0.180 38.721 38.487 0.090 0.000 0.970 430 N HN 0.554 nan 8.380 nan 0.000 0.471 431 G N -0.769 108.083 108.800 0.087 0.000 2.141 431 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.242 431 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.242 431 G C -0.829 173.975 174.900 -0.160 0.000 0.982 431 G CA 0.235 45.320 45.100 -0.025 0.000 0.662 431 G HN 0.404 nan 8.290 nan 0.000 0.527 432 Y N 0.471 120.737 120.300 -0.057 0.000 2.406 432 Y HA 0.558 5.108 4.550 -0.000 0.000 0.340 432 Y C -2.178 173.675 175.900 -0.077 0.000 0.975 432 Y CA -2.428 55.642 58.100 -0.051 0.000 1.056 432 Y CB 2.521 40.963 38.460 -0.030 0.000 1.210 432 Y HN -0.018 nan 8.280 nan 0.000 0.448 433 P HA 0.147 nan 4.420 nan 0.000 0.275 433 P C -0.926 176.375 177.300 0.000 0.000 1.228 433 P CA -0.038 63.037 63.100 -0.042 0.000 0.786 433 P CB 1.619 33.286 31.700 -0.055 0.000 0.927 434 D N 1.110 121.482 120.400 -0.047 0.000 2.467 434 D HA 0.498 5.138 4.640 -0.000 0.000 0.245 434 D C -0.627 175.777 176.300 0.174 0.000 1.038 434 D CA -0.277 53.753 54.000 0.050 0.000 1.038 434 D CB 1.459 42.261 40.800 0.002 0.000 1.278 434 D HN 0.169 nan 8.370 nan 0.000 0.564 435 L N 1.077 122.448 121.223 0.247 0.000 2.385 435 L HA 0.488 4.828 4.340 -0.000 0.000 0.273 435 L C -0.943 176.122 176.870 0.325 0.000 0.990 435 L CA -0.678 54.330 54.840 0.281 0.000 0.821 435 L CB 1.308 43.473 42.059 0.176 0.000 1.279 435 L HN 0.370 nan 8.230 nan 0.000 0.412 436 I N 3.251 123.962 120.570 0.236 0.000 2.404 436 I HA 0.762 4.932 4.170 -0.000 0.000 0.293 436 I C -1.239 174.937 176.117 0.097 0.000 0.992 436 I CA -0.865 60.517 61.300 0.137 0.000 1.149 436 I CB 1.896 39.833 38.000 -0.104 0.000 1.315 436 I HN 0.300 nan 8.210 nan 0.000 0.446 437 V N 5.013 125.032 119.914 0.175 0.000 2.531 437 V HA 0.647 4.767 4.120 -0.000 0.000 0.301 437 V C 0.648 176.815 176.094 0.122 0.000 1.034 437 V CA -0.412 61.928 62.300 0.067 0.000 0.865 437 V CB 1.578 33.401 31.823 -0.001 0.000 0.995 437 V HN 0.981 nan 8.190 nan 0.000 0.424 438 G N 2.849 111.670 108.800 0.034 0.000 2.377 438 G HA2 0.615 4.575 3.960 -0.000 0.000 0.299 438 G HA3 0.615 4.575 3.960 -0.000 0.000 0.299 438 G C -0.198 174.752 174.900 0.083 0.000 1.150 438 G CA -0.143 45.008 45.100 0.084 0.000 0.847 438 G HN 1.153 nan 8.290 nan 0.000 0.501 439 A N 2.413 125.265 122.820 0.053 0.000 2.842 439 A HA 0.470 4.790 4.320 -0.000 0.000 0.339 439 A C 0.523 178.042 177.584 -0.109 0.000 1.177 439 A CA -0.692 51.298 52.037 -0.079 0.000 0.797 439 A CB -0.043 18.783 19.000 -0.289 0.000 1.094 439 A HN 1.031 nan 8.150 nan 0.000 0.474 440 Y N 0.267 120.570 120.300 0.005 0.000 2.207 440 Y HA -0.031 4.519 4.550 -0.000 0.000 0.287 440 Y C 1.722 177.637 175.900 0.025 0.000 1.156 440 Y CA 1.681 59.814 58.100 0.056 0.000 1.182 440 Y CB -0.827 37.711 38.460 0.129 0.000 0.979 440 Y HN 0.373 nan 8.280 nan 0.000 0.521 441 G N 0.370 108.867 108.800 -0.506 0.000 2.450 441 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.220 441 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.220 441 G C 1.517 176.345 174.900 -0.121 0.000 1.130 441 G CA 0.823 45.752 45.100 -0.285 0.000 0.760 441 G HN 0.715 nan 8.290 nan 0.000 0.557 442 A N 0.045 122.756 122.820 -0.181 0.000 2.387 442 A HA 0.311 4.631 4.320 -0.000 0.000 0.234 442 A C 1.049 178.545 177.584 -0.148 0.000 1.253 442 A CA 0.273 52.199 52.037 -0.186 0.000 0.894 442 A CB -0.108 18.683 19.000 -0.349 0.000 0.963 442 A HN 0.255 nan 8.150 nan 0.000 0.508 443 N N 0.026 118.709 118.700 -0.028 0.000 2.721 443 N HA -0.170 4.570 4.740 -0.000 0.000 0.249 443 N C -0.339 175.245 175.510 0.124 0.000 1.072 443 N CA 1.454 54.560 53.050 0.094 0.000 0.710 443 N CB -1.265 37.233 38.487 0.019 0.000 0.993 443 N HN 0.810 nan 8.380 nan 0.000 0.547 444 Q N -1.014 118.854 119.800 0.113 0.000 2.553 444 Q HA 0.737 5.077 4.340 -0.000 0.000 0.293 444 Q C -0.919 175.273 176.000 0.321 0.000 1.038 444 Q CA -0.851 55.074 55.803 0.203 0.000 0.777 444 Q CB 2.705 31.402 28.738 -0.069 0.000 1.487 444 Q HN 0.015 nan 8.270 nan 0.000 0.426 445 V N 0.608 120.839 119.914 0.529 0.000 2.638 445 V HA 0.727 4.846 4.120 -0.000 0.000 0.306 445 V C -1.127 175.326 176.094 0.598 0.000 1.052 445 V CA -0.709 61.877 62.300 0.478 0.000 0.885 445 V CB 1.694 33.739 31.823 0.370 0.000 0.999 445 V HN 0.824 nan 8.190 nan 0.000 0.424 446 A N 4.442 127.606 122.820 0.573 0.000 2.304 446 A HA 0.847 5.167 4.320 -0.000 0.000 0.323 446 A C -0.711 176.995 177.584 0.202 0.000 1.195 446 A CA -0.511 51.742 52.037 0.360 0.000 0.826 446 A CB 1.308 20.600 19.000 0.486 0.000 1.184 446 A HN 0.711 nan 8.150 nan 0.000 0.496 447 V N 3.244 123.169 119.914 0.018 0.000 2.370 447 V HA 0.318 4.438 4.120 -0.000 0.000 0.283 447 V C -1.183 174.849 176.094 -0.103 0.000 1.023 447 V CA -0.314 62.060 62.300 0.123 0.000 0.857 447 V CB 0.547 32.567 31.823 0.328 0.000 0.985 447 V HN 0.742 nan 8.190 nan 0.000 0.443 448 Y N 3.876 124.243 120.300 0.112 0.000 2.331 448 Y HA 0.587 5.137 4.550 -0.000 0.000 0.338 448 Y C 0.659 176.592 175.900 0.055 0.000 0.976 448 Y CA -0.642 57.501 58.100 0.072 0.000 1.137 448 Y CB 1.272 39.780 38.460 0.080 0.000 1.172 448 Y HN 0.469 nan 8.280 nan 0.000 0.478 449 R N 1.962 122.545 120.500 0.138 0.000 2.312 449 R HA 0.705 5.045 4.340 -0.000 0.000 0.311 449 R C -0.425 175.906 176.300 0.052 0.000 1.004 449 R CA -0.790 55.348 56.100 0.063 0.000 0.902 449 R CB 1.177 31.497 30.300 0.033 0.000 1.073 449 R HN 0.782 nan 8.270 nan 0.000 0.457 450 A N 3.331 126.170 122.820 0.032 0.000 2.409 450 A HA 0.214 4.534 4.320 -0.000 0.000 0.262 450 A C -0.382 177.112 177.584 -0.151 0.000 1.113 450 A CA -0.427 51.608 52.037 -0.004 0.000 0.790 450 A CB 0.578 19.627 19.000 0.082 0.000 1.046 450 A HN 0.517 nan 8.150 nan 0.000 0.496 451 Q N 1.387 121.038 119.800 -0.249 0.000 2.359 451 Q HA 0.518 4.858 4.340 -0.000 0.000 0.275 451 Q C -2.535 173.069 176.000 -0.659 0.000 1.082 451 Q CA -2.044 53.530 55.803 -0.382 0.000 0.849 451 Q CB 0.543 29.170 28.738 -0.184 0.000 1.377 451 Q HN 0.460 nan 8.270 nan 0.000 0.452 452 P HA 0.000 nan 4.420 nan 0.000 0.216 452 P CA 0.000 62.824 63.100 -0.460 0.000 0.800 452 P CB 0.000 31.581 31.700 -0.199 0.000 0.726