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 1dzn_1_B DATA FIRST_RESID 6 DATA SEQUENCE AFRPLTLPPK LSLSDFNEFI QDIIRIVGSE NVEVISXXXX XVDGSYMKPT DATA SEQUENCE HTHDPHHVMD QDYFLASAIV APRNVADVQS IVGLANKFSF PLWPISIGRN DATA SEQUENCE SGYGGAAPRV SGSVVLDMGK NMNRVLEVNV EGAYCVVEPG VTYHDLHNYL DATA SEQUENCE EANNLRDKLW LDVPSLGGGS VLGNAVERGV GYTPYGDHWM MHSGMEVVLA DATA SEQUENCE NGELLRTGMG ALPDPKRPET MGLKPEDQPW SKIAHLFPYG FGPYIDGLFS DATA SEQUENCE QSNMGIVTKI GIWLMPNPGG YQSYLITLPK DGDLKQAVDI IRPLRLGMAL DATA SEQUENCE QNVPTIRHIL LDAAVLGDKR SYSSRTEPLS DEELDKIAKQ LNLGRWNFYG DATA SEQUENCE ALYGPEPIRR VLWETIKDAF SAIPGVKFYF PEDTPENSVL RVRDKTMQGI DATA SEQUENCE PTYDELKWID WLPNGAHLFF SPIAKVSGED AMMQYAVTKK RCQEAGLDFI DATA SEQUENCE GTFTVGMREM HHIVCIVFNK KDLIQKRKVQ WLMRTLIDDC AANGWGEYRT DATA SEQUENCE HLAFMDQIME TYNWNNSSFL RFNEVLKNAV DPNGIIAPGK SGVWPSQYSH DATA SEQUENCE VTWKL 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 6 A HA 0.000 nan 4.320 nan 0.000 0.244 6 A C 0.000 177.683 177.584 0.164 0.000 1.274 6 A CA 0.000 52.044 52.037 0.011 0.000 0.836 6 A CB 0.000 19.159 19.000 0.265 0.000 0.831 7 F N 1.140 121.184 119.950 0.156 0.000 2.008 7 F HA 0.099 4.626 4.527 -0.001 0.000 0.297 7 F C 2.076 177.994 175.800 0.197 0.000 1.156 7 F CA 2.675 60.770 58.000 0.159 0.000 1.191 7 F CB -0.509 38.547 39.000 0.093 0.000 0.955 7 F HN 1.041 nan 8.300 nan 0.000 0.497 8 R N 0.747 121.458 120.500 0.353 0.000 2.575 8 R HA 0.500 4.839 4.340 -0.001 0.000 0.292 8 R C -3.021 173.316 176.300 0.062 0.000 1.246 8 R CA -1.825 54.372 56.100 0.162 0.000 0.973 8 R CB -1.010 29.355 30.300 0.110 0.000 1.187 8 R HN 0.026 nan 8.270 nan 0.000 0.478 9 P HA 0.283 nan 4.420 nan 0.000 0.274 9 P C 0.668 177.916 177.300 -0.086 0.000 1.256 9 P CA -0.643 62.395 63.100 -0.103 0.000 0.795 9 P CB 0.878 32.369 31.700 -0.348 0.000 1.038 10 L N -1.077 120.117 121.223 -0.048 0.000 2.109 10 L HA 0.002 4.341 4.340 -0.001 0.000 0.207 10 L C 0.865 177.700 176.870 -0.059 0.000 1.086 10 L CA 1.572 56.388 54.840 -0.041 0.000 0.760 10 L CB -0.177 41.870 42.059 -0.020 0.000 0.910 10 L HN 0.428 nan 8.230 nan 0.000 0.437 11 T N -0.327 114.183 114.554 -0.074 0.000 2.971 11 T HA 0.496 4.845 4.350 -0.001 0.000 0.304 11 T C -0.597 174.032 174.700 -0.119 0.000 1.038 11 T CA -0.452 61.604 62.100 -0.074 0.000 1.007 11 T CB 2.173 71.017 68.868 -0.040 0.000 1.055 11 T HN -0.144 nan 8.240 nan 0.000 0.451 12 L N 4.370 125.506 121.223 -0.144 0.000 2.365 12 L HA 0.638 4.978 4.340 -0.001 0.000 0.267 12 L C -1.970 174.817 176.870 -0.138 0.000 1.033 12 L CA -2.482 52.225 54.840 -0.222 0.000 0.802 12 L CB 1.362 43.260 42.059 -0.269 0.000 1.267 12 L HN 0.397 nan 8.230 nan 0.000 0.457 13 P HA 0.235 nan 4.420 nan 0.000 0.277 13 P C -2.644 174.602 177.300 -0.089 0.000 1.240 13 P CA -1.819 61.192 63.100 -0.149 0.000 0.798 13 P CB -0.268 31.188 31.700 -0.407 0.000 0.979 14 P HA -0.092 nan 4.420 nan 0.000 0.261 14 P C 0.314 177.601 177.300 -0.022 0.000 1.165 14 P CA 0.752 63.913 63.100 0.102 0.000 0.759 14 P CB -0.110 31.736 31.700 0.243 0.000 0.772 15 K N -1.453 118.928 120.400 -0.032 0.000 3.529 15 K HA -0.232 4.087 4.320 -0.001 0.000 0.313 15 K C 0.348 176.919 176.600 -0.049 0.000 1.316 15 K CA 0.735 56.996 56.287 -0.043 0.000 0.988 15 K CB -1.398 31.073 32.500 -0.047 0.000 1.252 15 K HN 0.257 nan 8.250 nan 0.000 0.438 16 L N 1.180 122.350 121.223 -0.088 0.000 2.350 16 L HA 0.301 4.641 4.340 -0.001 0.000 0.275 16 L C 0.530 177.368 176.870 -0.053 0.000 1.099 16 L CA 0.352 55.135 54.840 -0.094 0.000 0.808 16 L CB 1.378 43.282 42.059 -0.258 0.000 1.149 16 L HN 0.205 nan 8.230 nan 0.000 0.442 17 S N 3.613 119.317 115.700 0.007 0.000 2.713 17 S HA 0.281 4.750 4.470 -0.001 0.000 0.283 17 S C 0.861 175.494 174.600 0.055 0.000 1.161 17 S CA -0.622 57.592 58.200 0.024 0.000 0.999 17 S CB 0.935 64.162 63.200 0.044 0.000 1.039 17 S HN 0.648 nan 8.310 nan 0.000 0.548 18 L N 1.842 123.099 121.223 0.056 0.000 2.083 18 L HA 0.019 4.359 4.340 -0.001 0.000 0.209 18 L C 2.727 179.700 176.870 0.171 0.000 1.083 18 L CA 2.207 57.108 54.840 0.101 0.000 0.752 18 L CB -1.487 40.614 42.059 0.070 0.000 0.899 18 L HN 0.982 nan 8.230 nan 0.000 0.433 19 S N -1.043 114.732 115.700 0.126 0.000 2.368 19 S HA -0.172 4.298 4.470 -0.001 0.000 0.224 19 S C 1.693 176.374 174.600 0.134 0.000 1.029 19 S CA 1.448 59.719 58.200 0.118 0.000 0.988 19 S CB -0.247 63.011 63.200 0.097 0.000 0.838 19 S HN 0.526 nan 8.310 nan 0.000 0.462 20 D N 0.449 120.943 120.400 0.157 0.000 2.084 20 D HA -0.055 4.584 4.640 -0.001 0.000 0.196 20 D C 1.582 177.915 176.300 0.056 0.000 0.985 20 D CA 0.977 55.084 54.000 0.178 0.000 0.826 20 D CB -0.700 40.265 40.800 0.274 0.000 0.978 20 D HN 0.450 nan 8.370 nan 0.000 0.456 21 F N 2.436 122.382 119.950 -0.006 0.000 2.015 21 F HA -0.300 4.227 4.527 -0.000 0.000 0.297 21 F C 2.046 177.897 175.800 0.085 0.000 1.141 21 F CA 1.665 59.710 58.000 0.076 0.000 1.192 21 F CB -0.536 38.521 39.000 0.094 0.000 0.957 21 F HN -0.118 nan 8.300 nan 0.000 0.491 22 N N 0.484 119.254 118.700 0.117 0.000 2.094 22 N HA -0.251 4.489 4.740 -0.001 0.000 0.191 22 N C 2.008 177.435 175.510 -0.139 0.000 1.023 22 N CA 1.679 54.691 53.050 -0.063 0.000 0.857 22 N CB -0.624 37.898 38.487 0.058 0.000 1.013 22 N HN 0.583 nan 8.380 nan 0.000 0.426 23 E N -0.197 119.950 120.200 -0.088 0.000 2.058 23 E HA -0.194 4.156 4.350 -0.001 0.000 0.194 23 E C 1.899 178.360 176.600 -0.231 0.000 0.997 23 E CA 0.800 57.139 56.400 -0.100 0.000 0.801 23 E CB -0.154 29.564 29.700 0.030 0.000 0.746 23 E HN 0.295 nan 8.360 nan 0.000 0.450 24 F N 1.416 120.968 119.950 -0.662 0.000 2.046 24 F HA -0.249 4.277 4.527 -0.001 0.000 0.297 24 F C 2.122 177.632 175.800 -0.483 0.000 1.123 24 F CA 1.392 58.968 58.000 -0.707 0.000 1.199 24 F CB -0.244 38.264 39.000 -0.819 0.000 0.972 24 F HN 0.013 nan 8.300 nan 0.000 0.474 25 I N 0.544 120.885 120.570 -0.382 0.000 2.194 25 I HA -0.306 3.863 4.170 -0.001 0.000 0.246 25 I C 2.385 178.286 176.117 -0.359 0.000 1.093 25 I CA 1.439 62.459 61.300 -0.468 0.000 1.355 25 I CB -1.387 36.265 38.000 -0.580 0.000 1.046 25 I HN 0.350 nan 8.210 nan 0.000 0.413 26 Q N 0.446 120.074 119.800 -0.285 0.000 2.167 26 Q HA -0.189 4.151 4.340 -0.001 0.000 0.202 26 Q C 1.801 177.683 176.000 -0.196 0.000 0.970 26 Q CA 1.395 57.070 55.803 -0.212 0.000 0.855 26 Q CB -0.286 28.353 28.738 -0.166 0.000 0.911 26 Q HN 0.533 nan 8.270 nan 0.000 0.438 27 D N 0.134 120.401 120.400 -0.222 0.000 2.117 27 D HA -0.096 4.543 4.640 -0.001 0.000 0.198 27 D C 1.865 178.013 176.300 -0.253 0.000 0.982 27 D CA 0.538 54.423 54.000 -0.191 0.000 0.828 27 D CB -0.102 40.608 40.800 -0.150 0.000 0.967 27 D HN 0.176 nan 8.370 nan 0.000 0.464 28 I N 0.753 121.083 120.570 -0.399 0.000 2.286 28 I HA -0.193 3.977 4.170 -0.001 0.000 0.248 28 I C 2.347 178.316 176.117 -0.247 0.000 1.115 28 I CA 0.897 61.962 61.300 -0.391 0.000 1.392 28 I CB -0.731 36.946 38.000 -0.537 0.000 1.065 28 I HN 0.073 nan 8.210 nan 0.000 0.418 29 I N 0.844 121.285 120.570 -0.215 0.000 2.315 29 I HA -0.290 3.880 4.170 -0.001 0.000 0.248 29 I C 3.201 179.248 176.117 -0.117 0.000 1.117 29 I CA 1.357 62.567 61.300 -0.150 0.000 1.404 29 I CB -0.592 37.327 38.000 -0.136 0.000 1.071 29 I HN 0.202 nan 8.210 nan 0.000 0.419 30 R N 1.216 121.646 120.500 -0.118 0.000 2.105 30 R HA -0.138 4.201 4.340 -0.001 0.000 0.239 30 R C 1.879 178.129 176.300 -0.084 0.000 1.135 30 R CA 1.960 58.008 56.100 -0.088 0.000 0.967 30 R CB -1.677 28.576 30.300 -0.079 0.000 0.861 30 R HN 0.427 nan 8.270 nan 0.000 0.442 31 I N 0.760 121.269 120.570 -0.102 0.000 2.277 31 I HA -0.111 4.059 4.170 -0.001 0.000 0.243 31 I C 2.370 178.436 176.117 -0.084 0.000 1.094 31 I CA 1.585 62.831 61.300 -0.091 0.000 1.393 31 I CB 0.100 38.035 38.000 -0.109 0.000 1.078 31 I HN 0.289 nan 8.210 nan 0.000 0.417 32 V N -1.679 118.178 119.914 -0.096 0.000 3.644 32 V HA 0.546 4.666 4.120 -0.001 0.000 0.267 32 V C 0.853 176.909 176.094 -0.063 0.000 1.277 32 V CA 0.205 62.458 62.300 -0.078 0.000 1.096 32 V CB -0.671 31.099 31.823 -0.089 0.000 0.828 32 V HN 0.484 nan 8.190 nan 0.000 0.446 33 G N 1.032 109.792 108.800 -0.067 0.000 2.719 33 G HA2 -0.102 3.858 3.960 -0.001 0.000 0.686 33 G HA3 -0.102 3.858 3.960 -0.001 0.000 0.686 33 G C 0.328 175.198 174.900 -0.050 0.000 1.201 33 G CA 0.128 45.197 45.100 -0.052 0.000 0.768 33 G HN 1.214 nan 8.290 nan 0.000 0.629 34 S N -0.549 115.127 115.700 -0.041 0.000 2.442 34 S HA 0.092 4.562 4.470 -0.001 0.000 0.236 34 S C 2.321 176.912 174.600 -0.014 0.000 1.007 34 S CA 2.226 60.407 58.200 -0.031 0.000 0.965 34 S CB -0.409 62.778 63.200 -0.022 0.000 0.773 34 S HN 2.017 nan 8.310 nan 0.000 0.504 35 E N 2.672 122.864 120.200 -0.013 0.000 2.110 35 E HA -0.119 4.231 4.350 -0.001 0.000 0.193 35 E C 1.696 178.293 176.600 -0.005 0.000 0.988 35 E CA 1.460 57.858 56.400 -0.004 0.000 0.804 35 E CB -0.902 28.794 29.700 -0.007 0.000 0.745 35 E HN 0.657 nan 8.360 nan 0.000 0.458 36 N N -0.458 118.230 118.700 -0.019 0.000 2.270 36 N HA 0.152 4.892 4.740 -0.001 0.000 0.198 36 N C -0.674 174.820 175.510 -0.027 0.000 1.117 36 N CA 0.196 53.233 53.050 -0.023 0.000 0.845 36 N CB 1.281 39.746 38.487 -0.037 0.000 0.980 36 N HN 0.293 nan 8.380 nan 0.000 0.486 37 V N 0.418 120.318 119.914 -0.022 0.000 2.769 37 V HA 0.467 4.587 4.120 -0.001 0.000 0.312 37 V C -0.163 175.943 176.094 0.020 0.000 1.061 37 V CA -0.874 61.414 62.300 -0.021 0.000 0.931 37 V CB 2.920 34.707 31.823 -0.059 0.000 1.010 37 V HN 0.035 nan 8.190 nan 0.000 0.433 38 E N 2.475 122.705 120.200 0.050 0.000 2.343 38 E HA 0.475 4.825 4.350 -0.001 0.000 0.288 38 E C -2.237 174.440 176.600 0.128 0.000 0.907 38 E CA -0.427 56.024 56.400 0.086 0.000 0.792 38 E CB 2.372 32.125 29.700 0.090 0.000 1.275 38 E HN 0.435 nan 8.360 nan 0.000 0.402 39 V N 5.333 125.340 119.914 0.155 0.000 2.370 39 V HA 0.286 4.405 4.120 -0.001 0.000 0.279 39 V C 0.262 176.466 176.094 0.183 0.000 1.029 39 V CA -0.853 61.580 62.300 0.220 0.000 0.870 39 V CB 1.060 33.048 31.823 0.275 0.000 0.984 39 V HN 0.586 nan 8.190 nan 0.000 0.451 40 I N 4.737 125.407 120.570 0.167 0.000 2.406 40 I HA 0.272 4.441 4.170 -0.001 0.000 0.293 40 I C 0.738 176.906 176.117 0.084 0.000 1.101 40 I CA 0.689 62.056 61.300 0.111 0.000 1.334 40 I CB -0.549 37.507 38.000 0.093 0.000 1.421 40 I HN 0.602 nan 8.210 nan 0.000 0.513 48 D N 2.934 123.492 120.400 0.263 0.000 2.149 48 D HA 0.073 4.713 4.640 -0.001 0.000 0.198 48 D C 1.457 177.860 176.300 0.171 0.000 0.990 48 D CA 2.150 56.352 54.000 0.337 0.000 0.839 48 D CB 0.095 41.075 40.800 0.300 0.000 0.948 48 D HN 1.189 nan 8.370 nan 0.000 0.460 49 G N -0.285 108.580 108.800 0.109 0.000 2.645 49 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.246 49 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.246 49 G C 0.086 175.017 174.900 0.051 0.000 1.322 49 G CA 0.358 45.489 45.100 0.052 0.000 0.898 49 G HN 0.542 nan 8.290 nan 0.000 0.573 50 S N -2.402 113.316 115.700 0.030 0.000 2.874 50 S HA 0.650 5.120 4.470 -0.001 0.000 0.318 50 S C 0.525 175.172 174.600 0.079 0.000 1.109 50 S CA 0.306 58.539 58.200 0.056 0.000 0.878 50 S CB 1.508 64.728 63.200 0.032 0.000 1.307 50 S HN 1.568 nan 8.310 nan 0.000 0.592 51 Y N 0.350 120.643 120.300 -0.012 0.000 2.365 51 Y HA 0.175 4.724 4.550 -0.001 0.000 0.293 51 Y C 2.889 178.778 175.900 -0.017 0.000 1.119 51 Y CA 1.792 59.893 58.100 0.001 0.000 1.203 51 Y CB -0.550 37.915 38.460 0.009 0.000 1.026 51 Y HN 0.622 nan 8.280 nan 0.000 0.549 52 M N 0.207 119.839 119.600 0.054 0.000 2.349 52 M HA 0.317 4.797 4.480 -0.001 0.000 0.266 52 M C 1.242 177.477 176.300 -0.107 0.000 1.076 52 M CA 1.999 57.259 55.300 -0.066 0.000 1.126 52 M CB -1.608 30.940 32.600 -0.087 0.000 1.392 52 M HN 0.228 nan 8.290 nan 0.000 0.440 53 K N 2.415 122.762 120.400 -0.088 0.000 2.752 53 K HA 0.606 4.926 4.320 -0.001 0.000 0.199 53 K C -3.258 173.270 176.600 -0.120 0.000 1.069 53 K CA -1.484 54.744 56.287 -0.099 0.000 1.033 53 K CB -0.198 32.260 32.500 -0.069 0.000 1.229 53 K HN 0.549 nan 8.250 nan 0.000 0.572 54 P HA 0.191 nan 4.420 nan 0.000 0.280 54 P C 0.173 177.275 177.300 -0.331 0.000 1.244 54 P CA 0.100 63.083 63.100 -0.195 0.000 0.784 54 P CB 1.511 33.097 31.700 -0.190 0.000 0.913 55 T N 1.566 116.003 114.554 -0.195 0.000 2.802 55 T HA 0.076 4.426 4.350 -0.001 0.000 0.305 55 T C 0.537 175.136 174.700 -0.169 0.000 1.053 55 T CA 0.321 62.323 62.100 -0.165 0.000 1.058 55 T CB -0.115 68.723 68.868 -0.049 0.000 0.988 55 T HN 0.492 nan 8.240 nan 0.000 0.539 56 H N -0.288 118.810 119.070 0.047 0.000 3.540 56 H HA 0.194 4.750 4.556 -0.001 0.000 0.259 56 H C 1.671 177.060 175.328 0.103 0.000 1.197 56 H CA 0.359 56.444 56.048 0.063 0.000 1.136 56 H CB 0.744 30.549 29.762 0.072 0.000 1.605 56 H HN 0.701 nan 8.280 nan 0.000 0.657 57 T N -1.651 113.068 114.554 0.276 0.000 3.022 57 T HA 0.057 4.406 4.350 -0.001 0.000 0.250 57 T C 0.598 175.497 174.700 0.331 0.000 1.060 57 T CA 0.059 62.333 62.100 0.291 0.000 1.013 57 T CB 0.357 69.409 68.868 0.306 0.000 0.982 57 T HN 0.458 nan 8.240 nan 0.000 0.508 58 H N -1.147 117.996 119.070 0.122 0.000 2.883 58 H HA 0.481 5.036 4.556 -0.001 0.000 0.277 58 H C -2.153 173.279 175.328 0.173 0.000 1.451 58 H CA -0.791 55.337 56.048 0.134 0.000 1.157 58 H CB 0.569 30.400 29.762 0.115 0.000 1.851 58 H HN 0.023 nan 8.280 nan 0.000 0.566 59 D N 1.974 122.465 120.400 0.152 0.000 2.336 59 D HA 0.216 4.855 4.640 -0.001 0.000 0.249 59 D C -1.565 174.910 176.300 0.292 0.000 1.213 59 D CA -2.300 51.825 54.000 0.209 0.000 0.870 59 D CB 1.310 42.382 40.800 0.454 0.000 1.076 59 D HN 0.199 nan 8.370 nan 0.000 0.483 60 P HA -0.068 nan 4.420 nan 0.000 0.225 60 P C 0.308 177.878 177.300 0.450 0.000 1.156 60 P CA 0.878 64.171 63.100 0.321 0.000 0.787 60 P CB 0.254 32.089 31.700 0.225 0.000 0.802 61 H N -0.952 118.258 119.070 0.232 0.000 2.490 61 H HA 0.101 4.657 4.556 -0.001 0.000 0.285 61 H C 0.179 175.675 175.328 0.280 0.000 1.127 61 H CA -0.609 55.527 56.048 0.146 0.000 0.993 61 H CB -0.455 29.434 29.762 0.211 0.000 1.653 61 H HN 0.394 nan 8.280 nan 0.000 0.557 62 H N -1.236 118.094 119.070 0.434 0.000 3.115 62 H HA 0.026 4.582 4.556 -0.001 0.000 0.324 62 H C 1.033 176.605 175.328 0.408 0.000 1.007 62 H CA -0.014 56.291 56.048 0.429 0.000 1.385 62 H CB 0.708 30.680 29.762 0.351 0.000 1.351 62 H HN 0.010 nan 8.280 nan 0.000 0.592 63 V N -0.030 120.079 119.914 0.326 0.000 3.473 63 V HA 0.131 4.251 4.120 -0.001 0.000 0.253 63 V C 0.864 176.994 176.094 0.061 0.000 1.340 63 V CA -0.256 62.087 62.300 0.071 0.000 1.103 63 V CB -0.090 31.656 31.823 -0.127 0.000 0.881 63 V HN 0.572 nan 8.190 nan 0.000 0.451 64 M N 0.638 120.298 119.600 0.100 0.000 2.363 64 M HA 0.428 4.907 4.480 -0.001 0.000 0.280 64 M C -0.112 176.204 176.300 0.027 0.000 1.182 64 M CA -0.395 54.852 55.300 -0.088 0.000 0.974 64 M CB 0.011 32.424 32.600 -0.311 0.000 1.452 64 M HN 0.122 nan 8.290 nan 0.000 0.507 65 D N 1.598 121.958 120.400 -0.066 0.000 2.443 65 D HA -0.104 4.536 4.640 -0.001 0.000 0.234 65 D C 0.838 177.195 176.300 0.096 0.000 1.172 65 D CA 0.292 54.316 54.000 0.039 0.000 0.878 65 D CB 0.518 41.335 40.800 0.028 0.000 1.204 65 D HN 0.511 nan 8.370 nan 0.000 0.453 66 Q N 1.285 121.079 119.800 -0.011 0.000 2.541 66 Q HA -0.156 4.183 4.340 -0.001 0.000 0.215 66 Q C 0.136 176.120 176.000 -0.028 0.000 0.977 66 Q CA 0.968 56.659 55.803 -0.187 0.000 0.934 66 Q CB 0.231 28.539 28.738 -0.717 0.000 0.988 66 Q HN 0.474 nan 8.270 nan 0.000 0.521 67 D N -1.572 118.838 120.400 0.017 0.000 2.535 67 D HA -0.072 4.568 4.640 -0.001 0.000 0.229 67 D C 0.888 177.209 176.300 0.035 0.000 1.238 67 D CA -0.451 53.558 54.000 0.016 0.000 0.824 67 D CB -0.629 40.148 40.800 -0.038 0.000 1.045 67 D HN 0.156 nan 8.370 nan 0.000 0.500 68 Y N 1.202 121.444 120.300 -0.097 0.000 2.163 68 Y HA 0.095 4.645 4.550 -0.001 0.000 0.288 68 Y C 0.006 175.694 175.900 -0.354 0.000 1.136 68 Y CA 1.002 58.935 58.100 -0.279 0.000 1.147 68 Y CB 0.026 38.230 38.460 -0.427 0.000 0.987 68 Y HN -0.207 nan 8.280 nan 0.000 0.509 69 F N 1.184 121.187 119.950 0.088 0.000 2.332 69 F HA 0.444 4.971 4.527 -0.000 0.000 0.368 69 F C -0.719 175.094 175.800 0.021 0.000 1.110 69 F CA -0.889 57.099 58.000 -0.020 0.000 1.087 69 F CB 1.016 40.020 39.000 0.006 0.000 1.235 69 F HN -0.210 nan 8.300 nan 0.000 0.470 70 L N 2.711 124.011 121.223 0.128 0.000 2.431 70 L HA 0.886 5.226 4.340 -0.001 0.000 0.266 70 L C -0.393 176.537 176.870 0.101 0.000 0.978 70 L CA -0.550 54.361 54.840 0.119 0.000 0.822 70 L CB 1.715 43.809 42.059 0.058 0.000 1.310 70 L HN 0.574 nan 8.230 nan 0.000 0.409 71 A N 1.966 124.864 122.820 0.131 0.000 2.346 71 A HA 0.503 4.822 4.320 -0.001 0.000 0.252 71 A C 0.912 178.585 177.584 0.149 0.000 1.089 71 A CA 0.403 52.529 52.037 0.148 0.000 0.797 71 A CB 0.409 19.513 19.000 0.174 0.000 1.047 71 A HN 1.033 nan 8.150 nan 0.000 0.494 72 S N -0.485 115.337 115.700 0.204 0.000 2.497 72 S HA 0.562 5.032 4.470 -0.001 0.000 0.221 72 S C 0.515 175.294 174.600 0.298 0.000 1.037 72 S CA 0.688 59.003 58.200 0.192 0.000 0.920 72 S CB -0.112 63.195 63.200 0.178 0.000 0.800 72 S HN 2.105 nan 8.310 nan 0.000 0.505 73 A N 0.644 123.649 122.820 0.309 0.000 2.610 73 A HA 0.673 4.993 4.320 -0.001 0.000 0.291 73 A C -1.764 175.930 177.584 0.184 0.000 1.086 73 A CA -0.750 51.447 52.037 0.266 0.000 0.677 73 A CB 0.733 19.908 19.000 0.292 0.000 1.278 73 A HN 0.208 nan 8.150 nan 0.000 0.414 74 I N 1.635 122.287 120.570 0.137 0.000 2.355 74 I HA 0.515 4.684 4.170 -0.001 0.000 0.288 74 I C -0.441 175.698 176.117 0.037 0.000 0.999 74 I CA -0.725 60.632 61.300 0.094 0.000 1.163 74 I CB 0.705 38.770 38.000 0.108 0.000 1.316 74 I HN 0.312 nan 8.210 nan 0.000 0.454 75 V N 4.941 124.856 119.914 0.000 0.000 2.628 75 V HA 0.850 4.969 4.120 -0.001 0.000 0.306 75 V C 0.104 176.163 176.094 -0.058 0.000 1.045 75 V CA -0.735 61.539 62.300 -0.045 0.000 0.905 75 V CB 1.996 33.767 31.823 -0.087 0.000 0.997 75 V HN 0.842 nan 8.190 nan 0.000 0.436 76 A N 5.846 128.629 122.820 -0.062 0.000 2.457 76 A HA 0.812 5.132 4.320 -0.001 0.000 0.283 76 A C -2.817 174.730 177.584 -0.062 0.000 1.166 76 A CA -1.604 50.394 52.037 -0.065 0.000 0.740 76 A CB 1.171 20.138 19.000 -0.055 0.000 1.181 76 A HN 0.571 nan 8.150 nan 0.000 0.446 77 P HA 0.101 nan 4.420 nan 0.000 0.267 77 P C 0.475 177.746 177.300 -0.048 0.000 1.200 77 P CA 0.093 63.157 63.100 -0.061 0.000 0.772 77 P CB 1.004 32.668 31.700 -0.061 0.000 0.855 78 R N 1.741 122.214 120.500 -0.045 0.000 2.075 78 R HA 0.015 4.355 4.340 -0.001 0.000 0.226 78 R C 1.422 177.704 176.300 -0.030 0.000 1.114 78 R CA 1.346 57.425 56.100 -0.035 0.000 0.972 78 R CB -0.011 30.269 30.300 -0.034 0.000 0.869 78 R HN 0.729 nan 8.270 nan 0.000 0.437 79 N N -3.187 115.493 118.700 -0.033 0.000 3.506 79 N HA 0.059 4.799 4.740 -0.001 0.000 0.331 79 N C 0.297 175.787 175.510 -0.034 0.000 1.631 79 N CA -0.584 52.449 53.050 -0.028 0.000 0.786 79 N CB 0.931 39.403 38.487 -0.025 0.000 2.023 79 N HN -0.285 nan 8.380 nan 0.000 0.621 80 V N 0.323 120.219 119.914 -0.030 0.000 2.453 80 V HA -0.090 4.030 4.120 -0.001 0.000 0.247 80 V C 2.626 178.696 176.094 -0.041 0.000 1.048 80 V CA 2.251 64.529 62.300 -0.037 0.000 1.049 80 V CB -1.157 30.644 31.823 -0.037 0.000 0.672 80 V HN 0.808 nan 8.190 nan 0.000 0.457 81 A N -0.228 122.569 122.820 -0.038 0.000 1.978 81 A HA -0.275 4.045 4.320 -0.001 0.000 0.220 81 A C 1.928 179.486 177.584 -0.044 0.000 1.170 81 A CA 2.073 54.086 52.037 -0.039 0.000 0.636 81 A CB -0.577 18.403 19.000 -0.035 0.000 0.810 81 A HN 0.526 nan 8.150 nan 0.000 0.448 82 D N -0.390 119.981 120.400 -0.048 0.000 2.144 82 D HA -0.098 4.542 4.640 -0.001 0.000 0.199 82 D C 1.964 178.226 176.300 -0.063 0.000 0.984 82 D CA 1.396 55.361 54.000 -0.059 0.000 0.834 82 D CB -0.193 40.571 40.800 -0.060 0.000 0.955 82 D HN 0.254 nan 8.370 nan 0.000 0.465 83 V N 0.696 120.576 119.914 -0.056 0.000 2.548 83 V HA -0.191 3.929 4.120 -0.001 0.000 0.249 83 V C 2.297 178.365 176.094 -0.043 0.000 1.055 83 V CA 1.262 63.530 62.300 -0.053 0.000 1.065 83 V CB -0.496 31.295 31.823 -0.053 0.000 0.681 83 V HN 0.229 nan 8.190 nan 0.000 0.462 84 Q N 0.225 120.001 119.800 -0.040 0.000 2.123 84 Q HA -0.120 4.220 4.340 -0.001 0.000 0.199 84 Q C 2.488 178.472 176.000 -0.026 0.000 0.966 84 Q CA 1.832 57.617 55.803 -0.031 0.000 0.845 84 Q CB -0.225 28.494 28.738 -0.031 0.000 0.907 84 Q HN 0.658 nan 8.270 nan 0.000 0.439 85 S N 1.041 116.718 115.700 -0.038 0.000 2.357 85 S HA -0.056 4.413 4.470 -0.001 0.000 0.221 85 S C 2.059 176.627 174.600 -0.053 0.000 1.031 85 S CA 0.698 58.873 58.200 -0.043 0.000 0.982 85 S CB -0.194 62.972 63.200 -0.057 0.000 0.853 85 S HN 0.230 nan 8.310 nan 0.000 0.458 86 I N 1.610 122.136 120.570 -0.075 0.000 2.099 86 I HA -0.190 3.980 4.170 -0.001 0.000 0.239 86 I C 2.294 178.403 176.117 -0.013 0.000 1.066 86 I CA 1.035 62.276 61.300 -0.099 0.000 1.324 86 I CB -0.756 37.179 38.000 -0.108 0.000 1.037 86 I HN 0.112 nan 8.210 nan 0.000 0.401 87 V N 1.304 121.223 119.914 0.009 0.000 2.278 87 V HA -0.319 3.801 4.120 -0.001 0.000 0.251 87 V C 2.594 178.734 176.094 0.076 0.000 1.062 87 V CA 2.375 64.704 62.300 0.049 0.000 1.038 87 V CB -1.641 30.196 31.823 0.023 0.000 0.646 87 V HN 0.650 nan 8.190 nan 0.000 0.447 88 G N -0.470 108.358 108.800 0.048 0.000 2.491 88 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.218 88 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.218 88 G C 1.601 176.571 174.900 0.118 0.000 1.180 88 G CA 1.305 46.440 45.100 0.058 0.000 0.774 88 G HN 0.464 nan 8.290 nan 0.000 0.562 89 L N 0.858 122.160 121.223 0.131 0.000 2.013 89 L HA -0.128 4.212 4.340 -0.001 0.000 0.212 89 L C 3.433 180.623 176.870 0.534 0.000 1.073 89 L CA 1.369 56.378 54.840 0.282 0.000 0.753 89 L CB -0.364 41.715 42.059 0.033 0.000 0.890 89 L HN 0.313 nan 8.230 nan 0.000 0.432 90 A N -0.383 122.713 122.820 0.461 0.000 1.940 90 A HA -0.226 4.094 4.320 -0.001 0.000 0.219 90 A C 2.095 179.883 177.584 0.340 0.000 1.176 90 A CA 1.926 54.265 52.037 0.502 0.000 0.631 90 A CB -0.578 18.632 19.000 0.351 0.000 0.814 90 A HN 0.482 nan 8.150 nan 0.000 0.446 91 N N -0.212 118.622 118.700 0.223 0.000 2.142 91 N HA -0.153 4.587 4.740 -0.001 0.000 0.186 91 N C 1.764 177.335 175.510 0.101 0.000 1.023 91 N CA 1.568 54.700 53.050 0.137 0.000 0.852 91 N CB -0.295 38.242 38.487 0.082 0.000 0.998 91 N HN 0.723 nan 8.380 nan 0.000 0.424 92 K N 0.460 120.914 120.400 0.089 0.000 2.001 92 K HA -0.119 4.200 4.320 -0.001 0.000 0.214 92 K C 1.313 177.802 176.600 -0.184 0.000 1.050 92 K CA 1.545 57.758 56.287 -0.123 0.000 0.934 92 K CB -0.228 32.121 32.500 -0.252 0.000 0.718 92 K HN 0.039 nan 8.250 nan 0.000 0.443 93 F N 0.679 120.732 119.950 0.172 0.000 2.797 93 F HA 0.214 4.741 4.527 -0.001 0.000 0.302 93 F C 0.532 176.380 175.800 0.081 0.000 1.130 93 F CA 0.188 58.266 58.000 0.131 0.000 1.387 93 F CB 0.422 39.527 39.000 0.174 0.000 1.107 93 F HN -0.055 nan 8.300 nan 0.000 0.577 94 S N 0.187 116.030 115.700 0.239 0.000 3.812 94 S HA -0.225 4.245 4.470 -0.001 0.000 0.341 94 S C -0.337 174.369 174.600 0.176 0.000 1.057 94 S CA -0.090 58.208 58.200 0.163 0.000 1.015 94 S CB -2.013 61.238 63.200 0.085 0.000 0.893 94 S HN 0.285 nan 8.310 nan 0.000 0.476 95 F N 2.929 122.898 119.950 0.031 0.000 2.411 95 F HA 0.537 5.064 4.527 -0.001 0.000 0.352 95 F C -2.440 173.387 175.800 0.044 0.000 1.123 95 F CA -2.477 55.475 58.000 -0.080 0.000 1.044 95 F CB 1.023 39.700 39.000 -0.538 0.000 1.135 95 F HN -0.109 nan 8.300 nan 0.000 0.461 96 P HA 0.210 nan 4.420 nan 0.000 0.271 96 P C -0.956 176.542 177.300 0.330 0.000 1.216 96 P CA 0.104 63.393 63.100 0.315 0.000 0.771 96 P CB 0.661 32.493 31.700 0.220 0.000 0.864 97 L N 3.129 124.482 121.223 0.217 0.000 2.322 97 L HA 0.450 4.790 4.340 -0.001 0.000 0.281 97 L C -0.155 176.814 176.870 0.165 0.000 1.014 97 L CA -0.460 54.484 54.840 0.173 0.000 0.815 97 L CB 2.032 44.146 42.059 0.092 0.000 1.247 97 L HN 0.464 nan 8.230 nan 0.000 0.421 98 W N 7.306 128.607 121.300 0.003 0.000 2.394 98 W HA 0.330 4.990 4.660 -0.000 0.000 0.312 98 W C -2.517 173.978 176.519 -0.040 0.000 0.981 98 W CA -1.749 55.575 57.345 -0.035 0.000 1.519 98 W CB 1.684 31.130 29.460 -0.024 0.000 1.304 98 W HN 0.267 nan 8.180 nan 0.000 0.412 99 P HA 0.158 nan 4.420 nan 0.000 0.271 99 P C -0.452 176.669 177.300 -0.299 0.000 1.216 99 P CA 0.548 63.479 63.100 -0.281 0.000 0.771 99 P CB 1.635 33.161 31.700 -0.290 0.000 0.864 100 I N -1.361 119.126 120.570 -0.138 0.000 3.145 100 I HA 0.511 4.681 4.170 -0.001 0.000 0.313 100 I C 0.726 176.792 176.117 -0.086 0.000 1.122 100 I CA -0.826 60.421 61.300 -0.089 0.000 0.987 100 I CB 1.601 39.613 38.000 0.021 0.000 1.236 100 I HN 0.007 nan 8.210 nan 0.000 0.453 101 S N 0.674 116.341 115.700 -0.056 0.000 2.641 101 S HA 0.406 4.876 4.470 -0.001 0.000 0.239 101 S C 1.050 175.636 174.600 -0.024 0.000 1.081 101 S CA 0.311 58.480 58.200 -0.052 0.000 0.904 101 S CB 0.310 63.479 63.200 -0.051 0.000 0.803 101 S HN 0.639 nan 8.310 nan 0.000 0.510 102 I N -1.221 119.357 120.570 0.014 0.000 4.317 102 I HA 0.290 4.460 4.170 -0.001 0.000 0.289 102 I C 1.543 177.734 176.117 0.124 0.000 1.164 102 I CA 1.306 62.639 61.300 0.056 0.000 1.312 102 I CB -0.366 37.652 38.000 0.029 0.000 1.569 102 I HN 0.402 nan 8.210 nan 0.000 0.450 103 G N 1.542 110.404 108.800 0.103 0.000 2.163 103 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.213 103 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.213 103 G C 0.968 175.925 174.900 0.095 0.000 0.991 103 G CA 0.208 45.399 45.100 0.152 0.000 0.653 103 G HN 0.271 nan 8.290 nan 0.000 0.518 104 R N 0.142 120.674 120.500 0.054 0.000 2.340 104 R HA 0.127 4.466 4.340 -0.001 0.000 0.215 104 R C 1.491 177.876 176.300 0.142 0.000 1.017 104 R CA 0.098 56.217 56.100 0.031 0.000 1.111 104 R CB -0.203 30.072 30.300 -0.042 0.000 1.049 104 R HN 0.199 nan 8.270 nan 0.000 0.490 105 N N 0.936 119.726 118.700 0.150 0.000 2.586 105 N HA -0.062 4.677 4.740 -0.001 0.000 0.206 105 N C -0.724 174.868 175.510 0.136 0.000 1.377 105 N CA 0.112 53.279 53.050 0.196 0.000 0.871 105 N CB -0.080 38.523 38.487 0.193 0.000 1.107 105 N HN 0.138 nan 8.380 nan 0.000 0.462 106 S N -1.849 113.883 115.700 0.053 0.000 2.568 106 S HA 0.406 4.876 4.470 -0.001 0.000 0.282 106 S C 1.523 175.961 174.600 -0.270 0.000 1.338 106 S CA -0.007 58.130 58.200 -0.105 0.000 1.045 106 S CB 1.252 64.220 63.200 -0.388 0.000 0.873 106 S HN 0.432 nan 8.310 nan 0.000 0.516 107 G N 1.003 109.620 108.800 -0.305 0.000 2.258 107 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.233 107 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.233 107 G C 0.173 174.939 174.900 -0.223 0.000 1.006 107 G CA 0.332 45.024 45.100 -0.680 0.000 0.620 107 G HN 0.731 nan 8.290 nan 0.000 0.511 108 Y N 0.047 120.408 120.300 0.102 0.000 2.563 108 Y HA 0.495 5.045 4.550 -0.001 0.000 0.250 108 Y C 1.903 177.622 175.900 -0.302 0.000 1.126 108 Y CA 0.035 58.157 58.100 0.037 0.000 1.231 108 Y CB 1.151 39.666 38.460 0.091 0.000 1.288 108 Y HN 1.048 nan 8.280 nan 0.000 0.537 109 G N -1.384 107.264 108.800 -0.254 0.000 2.425 109 G HA2 0.147 4.107 3.960 -0.001 0.000 0.177 109 G HA3 0.147 4.107 3.960 -0.001 0.000 0.177 109 G C 0.944 175.798 174.900 -0.076 0.000 0.999 109 G CA 0.079 44.928 45.100 -0.418 0.000 0.723 109 G HN 0.848 nan 8.290 nan 0.000 0.491 110 G N 0.395 109.209 108.800 0.023 0.000 2.561 110 G HA2 0.118 4.078 3.960 -0.001 0.000 0.289 110 G HA3 0.118 4.078 3.960 -0.001 0.000 0.289 110 G C 1.340 176.296 174.900 0.093 0.000 1.169 110 G CA 2.405 47.541 45.100 0.059 0.000 0.980 110 G HN 1.891 nan 8.290 nan 0.000 0.550 111 A N 0.240 123.115 122.820 0.091 0.000 2.169 111 A HA 0.763 5.082 4.320 -0.001 0.000 0.210 111 A C 1.735 179.378 177.584 0.099 0.000 1.168 111 A CA 1.504 53.644 52.037 0.170 0.000 0.813 111 A CB -0.526 18.604 19.000 0.215 0.000 0.861 111 A HN 2.484 nan 8.150 nan 0.000 0.481 112 A N 1.719 124.509 122.820 -0.050 0.000 2.561 112 A HA 0.451 4.771 4.320 -0.001 0.000 0.234 112 A C -2.295 174.786 177.584 -0.839 0.000 1.055 112 A CA -0.582 51.322 52.037 -0.221 0.000 0.756 112 A CB -0.331 18.626 19.000 -0.070 0.000 0.986 112 A HN 0.305 nan 8.150 nan 0.000 0.505 113 P HA 0.212 nan 4.420 nan 0.000 0.284 113 P C 0.492 177.090 177.300 -1.170 0.000 1.253 113 P CA -0.524 61.561 63.100 -1.692 0.000 0.800 113 P CB 1.123 32.493 31.700 -0.549 0.000 0.961 114 R N 1.429 121.073 120.500 -1.427 0.000 2.091 114 R HA -0.026 4.314 4.340 -0.001 0.000 0.238 114 R C 0.249 176.484 176.300 -0.107 0.000 1.136 114 R CA 1.230 56.984 56.100 -0.576 0.000 0.959 114 R CB -0.271 29.826 30.300 -0.338 0.000 0.856 114 R HN 0.359 nan 8.270 nan 0.000 0.437 115 V N 1.492 121.307 119.914 -0.165 0.000 2.383 115 V HA 0.079 4.198 4.120 -0.001 0.000 0.275 115 V C 0.164 176.289 176.094 0.051 0.000 1.036 115 V CA -0.165 62.100 62.300 -0.057 0.000 0.889 115 V CB 1.610 33.252 31.823 -0.301 0.000 0.985 115 V HN 0.136 nan 8.190 nan 0.000 0.459 116 S N 3.550 119.347 115.700 0.163 0.000 2.533 116 S HA 0.458 4.928 4.470 -0.001 0.000 0.282 116 S C 1.119 175.784 174.600 0.109 0.000 1.304 116 S CA 0.812 59.070 58.200 0.097 0.000 1.063 116 S CB 0.676 63.882 63.200 0.010 0.000 0.881 116 S HN 1.401 nan 8.310 nan 0.000 0.493 117 G N 2.643 111.498 108.800 0.092 0.000 2.192 117 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.193 117 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.193 117 G C 0.154 175.174 174.900 0.200 0.000 0.999 117 G CA -0.048 45.103 45.100 0.084 0.000 0.659 117 G HN 0.717 nan 8.290 nan 0.000 0.503 118 S N -0.489 115.342 115.700 0.219 0.000 2.608 118 S HA 0.537 5.006 4.470 -0.001 0.000 0.261 118 S C 0.630 175.473 174.600 0.406 0.000 1.314 118 S CA -0.275 58.142 58.200 0.361 0.000 0.992 118 S CB 2.100 65.464 63.200 0.273 0.000 0.935 118 S HN 0.683 nan 8.310 nan 0.000 0.564 119 V N 2.352 122.501 119.914 0.391 0.000 2.427 119 V HA 0.138 4.258 4.120 -0.001 0.000 0.268 119 V C 0.072 176.290 176.094 0.205 0.000 1.046 119 V CA -0.451 61.984 62.300 0.225 0.000 0.970 119 V CB 0.899 32.760 31.823 0.063 0.000 1.001 119 V HN 0.636 nan 8.190 nan 0.000 0.476 120 V N 6.958 126.986 119.914 0.190 0.000 2.508 120 V HA 0.131 4.251 4.120 -0.001 0.000 0.281 120 V C 0.160 176.309 176.094 0.092 0.000 1.041 120 V CA -0.103 62.316 62.300 0.198 0.000 1.016 120 V CB 1.294 33.229 31.823 0.188 0.000 0.984 120 V HN 0.656 nan 8.190 nan 0.000 0.478 121 L N 5.713 126.971 121.223 0.059 0.000 2.288 121 L HA 0.385 4.725 4.340 -0.001 0.000 0.283 121 L C 0.241 177.067 176.870 -0.074 0.000 1.072 121 L CA -0.037 54.790 54.840 -0.023 0.000 0.862 121 L CB 0.722 42.760 42.059 -0.034 0.000 1.245 121 L HN 0.637 nan 8.230 nan 0.000 0.432 122 D N 4.895 125.223 120.400 -0.119 0.000 2.342 122 D HA 0.021 4.661 4.640 -0.001 0.000 0.260 122 D C 0.839 177.063 176.300 -0.125 0.000 1.278 122 D CA 0.011 53.894 54.000 -0.196 0.000 0.910 122 D CB 0.844 41.444 40.800 -0.332 0.000 1.079 122 D HN 0.512 nan 8.370 nan 0.000 0.496 123 M N 2.566 122.102 119.600 -0.106 0.000 2.435 123 M HA 0.088 4.568 4.480 -0.001 0.000 0.265 123 M C 1.963 178.224 176.300 -0.065 0.000 1.104 123 M CA 0.347 55.599 55.300 -0.080 0.000 1.140 123 M CB -0.305 32.246 32.600 -0.081 0.000 1.372 123 M HN 0.429 nan 8.290 nan 0.000 0.456 124 G N 1.093 109.854 108.800 -0.065 0.000 2.403 124 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.216 124 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.216 124 G C 1.631 176.518 174.900 -0.021 0.000 1.154 124 G CA 0.938 46.015 45.100 -0.038 0.000 0.784 124 G HN 0.425 nan 8.290 nan 0.000 0.538 125 K N 0.539 120.924 120.400 -0.024 0.000 2.000 125 K HA -0.199 4.120 4.320 -0.001 0.000 0.218 125 K C 2.011 178.607 176.600 -0.007 0.000 1.053 125 K CA 2.004 58.290 56.287 -0.002 0.000 0.946 125 K CB -0.136 32.362 32.500 -0.003 0.000 0.723 125 K HN 0.237 nan 8.250 nan 0.000 0.446 126 N N -0.513 118.175 118.700 -0.019 0.000 2.388 126 N HA 0.071 4.810 4.740 -0.001 0.000 0.176 126 N C -0.073 175.427 175.510 -0.017 0.000 1.062 126 N CA 0.577 53.617 53.050 -0.016 0.000 0.895 126 N CB 0.468 38.943 38.487 -0.021 0.000 1.018 126 N HN 0.268 nan 8.380 nan 0.000 0.456 127 M N 0.557 120.143 119.600 -0.025 0.000 2.754 127 M HA 0.257 4.737 4.480 -0.001 0.000 0.327 127 M C 0.352 176.636 176.300 -0.026 0.000 1.288 127 M CA -0.034 55.251 55.300 -0.025 0.000 1.324 127 M CB 0.313 32.894 32.600 -0.031 0.000 1.169 127 M HN 0.005 nan 8.290 nan 0.000 0.494 128 N N 0.611 119.300 118.700 -0.019 0.000 2.414 128 N HA 0.104 4.844 4.740 -0.001 0.000 0.177 128 N C -0.051 175.447 175.510 -0.020 0.000 1.062 128 N CA -0.077 52.964 53.050 -0.015 0.000 0.890 128 N CB 0.714 39.200 38.487 -0.000 0.000 1.070 128 N HN 0.454 nan 8.380 nan 0.000 0.454 129 R N 1.412 121.898 120.500 -0.022 0.000 2.370 129 R HA 0.144 4.483 4.340 -0.001 0.000 0.309 129 R C -0.414 175.835 176.300 -0.085 0.000 1.059 129 R CA -0.202 55.880 56.100 -0.031 0.000 0.981 129 R CB 1.175 31.465 30.300 -0.016 0.000 0.972 129 R HN -0.090 nan 8.270 nan 0.000 0.437 130 V N 6.465 126.298 119.914 -0.134 0.000 2.416 130 V HA -0.085 4.034 4.120 -0.001 0.000 0.267 130 V C 1.659 177.585 176.094 -0.281 0.000 1.007 130 V CA 0.607 62.722 62.300 -0.307 0.000 1.102 130 V CB -0.268 31.169 31.823 -0.643 0.000 1.035 130 V HN 0.786 nan 8.190 nan 0.000 0.473 131 L N 3.272 124.373 121.223 -0.203 0.000 2.217 131 L HA 0.119 4.459 4.340 -0.001 0.000 0.211 131 L C 1.071 177.853 176.870 -0.147 0.000 1.107 131 L CA 1.137 55.899 54.840 -0.129 0.000 0.783 131 L CB 0.067 42.078 42.059 -0.081 0.000 0.919 131 L HN 0.735 nan 8.230 nan 0.000 0.442 132 E N -0.887 119.167 120.200 -0.242 0.000 2.537 132 E HA 0.230 4.580 4.350 -0.001 0.000 0.301 132 E C -1.778 174.630 176.600 -0.321 0.000 0.990 132 E CA -0.327 55.939 56.400 -0.223 0.000 0.828 132 E CB 2.018 31.612 29.700 -0.177 0.000 1.243 132 E HN -0.276 nan 8.360 nan 0.000 0.414 133 V N 4.910 124.670 119.914 -0.257 0.000 2.325 133 V HA 0.313 4.432 4.120 -0.001 0.000 0.280 133 V C -0.341 175.597 176.094 -0.260 0.000 1.016 133 V CA -0.806 61.339 62.300 -0.258 0.000 0.818 133 V CB 1.337 33.095 31.823 -0.108 0.000 1.019 133 V HN 0.555 nan 8.190 nan 0.000 0.434 134 N N 4.202 122.592 118.700 -0.516 0.000 2.439 134 N HA 0.217 4.956 4.740 -0.001 0.000 0.249 134 N C 0.783 176.102 175.510 -0.318 0.000 1.003 134 N CA -0.117 52.648 53.050 -0.475 0.000 0.942 134 N CB 2.136 40.087 38.487 -0.893 0.000 1.115 134 N HN 0.335 nan 8.380 nan 0.000 0.505 135 V N 4.379 124.206 119.914 -0.144 0.000 2.283 135 V HA -0.237 3.883 4.120 -0.001 0.000 0.243 135 V C 2.151 178.221 176.094 -0.040 0.000 1.039 135 V CA 2.034 64.289 62.300 -0.075 0.000 1.016 135 V CB -0.548 31.250 31.823 -0.042 0.000 0.650 135 V HN 0.773 nan 8.190 nan 0.000 0.449 136 E N 1.344 121.533 120.200 -0.017 0.000 2.204 136 E HA -0.103 4.246 4.350 -0.001 0.000 0.195 136 E C 2.033 178.661 176.600 0.046 0.000 0.990 136 E CA 1.477 57.884 56.400 0.011 0.000 0.821 136 E CB -0.533 29.177 29.700 0.017 0.000 0.750 136 E HN 0.519 nan 8.360 nan 0.000 0.477 137 G N 0.442 109.309 108.800 0.112 0.000 2.986 137 G HA2 0.289 4.248 3.960 -0.001 0.000 0.213 137 G HA3 0.289 4.248 3.960 -0.001 0.000 0.213 137 G C 0.654 175.716 174.900 0.271 0.000 1.156 137 G CA -0.136 45.112 45.100 0.247 0.000 0.763 137 G HN 0.587 nan 8.290 nan 0.000 0.547 138 A N -1.068 121.820 122.820 0.114 0.000 2.416 138 A HA 0.026 4.346 4.320 -0.001 0.000 0.293 138 A C 0.068 177.789 177.584 0.227 0.000 1.452 138 A CA 1.333 53.419 52.037 0.082 0.000 0.738 138 A CB -2.545 16.487 19.000 0.053 0.000 1.123 138 A HN 1.896 nan 8.150 nan 0.000 0.389 139 Y N -3.006 117.342 120.300 0.080 0.000 2.705 139 Y HA 0.728 5.278 4.550 -0.001 0.000 0.332 139 Y C -0.069 175.823 175.900 -0.013 0.000 1.221 139 Y CA -1.391 56.779 58.100 0.117 0.000 1.059 139 Y CB 0.157 38.756 38.460 0.232 0.000 1.298 139 Y HN 1.269 nan 8.280 nan 0.000 0.459 140 C N -0.042 119.281 119.300 0.039 0.000 2.994 140 C HA 0.930 5.389 4.460 -0.001 0.000 0.304 140 C C -1.176 173.734 174.990 -0.134 0.000 1.273 140 C CA -1.100 57.816 59.018 -0.170 0.000 1.537 140 C CB 1.247 28.885 27.740 -0.170 0.000 2.001 140 C HN 0.845 nan 8.230 nan 0.000 0.471 141 V N 1.982 121.732 119.914 -0.274 0.000 2.409 141 V HA 0.714 4.834 4.120 -0.001 0.000 0.291 141 V C -0.140 175.810 176.094 -0.241 0.000 1.020 141 V CA -0.150 61.942 62.300 -0.347 0.000 0.848 141 V CB 1.267 32.765 31.823 -0.541 0.000 0.990 141 V HN 0.907 nan 8.190 nan 0.000 0.430 142 V N 4.473 124.274 119.914 -0.188 0.000 3.074 142 V HA 0.584 4.704 4.120 -0.001 0.000 0.314 142 V C -0.270 175.762 176.094 -0.103 0.000 1.117 142 V CA -0.534 61.674 62.300 -0.154 0.000 1.014 142 V CB 2.722 34.445 31.823 -0.166 0.000 1.057 142 V HN 0.952 nan 8.190 nan 0.000 0.438 143 E N 3.152 123.300 120.200 -0.086 0.000 2.264 143 E HA 0.388 4.738 4.350 -0.001 0.000 0.260 143 E C -1.861 174.697 176.600 -0.070 0.000 0.961 143 E CA -1.684 54.682 56.400 -0.056 0.000 0.834 143 E CB 1.616 31.293 29.700 -0.038 0.000 1.230 143 E HN 0.389 nan 8.360 nan 0.000 0.412 144 P HA -0.216 nan 4.420 nan 0.000 0.216 144 P C 1.184 178.443 177.300 -0.068 0.000 1.157 144 P CA 1.614 64.673 63.100 -0.069 0.000 0.880 144 P CB -0.049 31.612 31.700 -0.065 0.000 0.791 145 G N -0.622 108.146 108.800 -0.053 0.000 2.509 145 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.218 145 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.218 145 G C 0.393 175.267 174.900 -0.042 0.000 1.124 145 G CA -0.001 45.075 45.100 -0.039 0.000 0.776 145 G HN 0.206 nan 8.290 nan 0.000 0.547 146 V N 2.784 122.657 119.914 -0.069 0.000 2.434 146 V HA 0.186 4.306 4.120 -0.001 0.000 0.281 146 V C 1.226 177.265 176.094 -0.092 0.000 1.005 146 V CA 0.263 62.520 62.300 -0.071 0.000 1.089 146 V CB -0.415 31.343 31.823 -0.109 0.000 0.978 146 V HN 0.423 nan 8.190 nan 0.000 0.474 147 T N 2.096 116.638 114.554 -0.021 0.000 2.788 147 T HA 0.264 4.614 4.350 -0.001 0.000 0.280 147 T C 0.936 175.636 174.700 -0.000 0.000 0.984 147 T CA -0.144 61.950 62.100 -0.010 0.000 0.972 147 T CB 0.561 69.499 68.868 0.116 0.000 1.039 147 T HN 0.367 nan 8.240 nan 0.000 0.530 148 Y N -0.468 119.890 120.300 0.096 0.000 2.181 148 Y HA -0.041 4.509 4.550 -0.001 0.000 0.288 148 Y C 2.856 178.826 175.900 0.116 0.000 1.146 148 Y CA 2.003 60.144 58.100 0.069 0.000 1.164 148 Y CB -1.012 37.467 38.460 0.032 0.000 0.982 148 Y HN 0.904 nan 8.280 nan 0.000 0.515 149 H N -0.048 119.168 119.070 0.243 0.000 2.352 149 H HA -0.174 4.382 4.556 -0.001 0.000 0.299 149 H C 1.765 177.229 175.328 0.228 0.000 1.097 149 H CA 1.975 58.159 56.048 0.228 0.000 1.311 149 H CB -0.014 29.905 29.762 0.262 0.000 1.377 149 H HN 0.247 nan 8.280 nan 0.000 0.504 150 D N 0.087 120.685 120.400 0.330 0.000 2.104 150 D HA -0.160 4.479 4.640 -0.001 0.000 0.194 150 D C 2.263 178.673 176.300 0.185 0.000 0.994 150 D CA 0.932 55.063 54.000 0.218 0.000 0.830 150 D CB -0.498 40.381 40.800 0.132 0.000 0.959 150 D HN 0.287 nan 8.370 nan 0.000 0.452 151 L N 0.806 122.119 121.223 0.150 0.000 2.046 151 L HA -0.168 4.171 4.340 -0.001 0.000 0.208 151 L C 2.281 179.246 176.870 0.158 0.000 1.077 151 L CA 1.799 56.706 54.840 0.112 0.000 0.747 151 L CB -0.836 41.248 42.059 0.042 0.000 0.896 151 L HN 0.183 nan 8.230 nan 0.000 0.432 152 H N -0.478 118.632 119.070 0.067 0.000 2.289 152 H HA -0.237 4.318 4.556 -0.001 0.000 0.294 152 H C 1.846 177.190 175.328 0.027 0.000 1.095 152 H CA 2.235 58.287 56.048 0.007 0.000 1.256 152 H CB 0.128 29.831 29.762 -0.099 0.000 1.359 152 H HN 0.402 nan 8.280 nan 0.000 0.487 153 N N 0.067 118.748 118.700 -0.031 0.000 2.166 153 N HA -0.167 4.572 4.740 -0.001 0.000 0.186 153 N C 1.831 177.333 175.510 -0.015 0.000 1.019 153 N CA 1.145 54.166 53.050 -0.047 0.000 0.856 153 N CB -0.821 37.738 38.487 0.121 0.000 0.993 153 N HN 0.476 nan 8.380 nan 0.000 0.426 154 Y N 1.356 121.627 120.300 -0.048 0.000 2.128 154 Y HA -0.135 4.415 4.550 -0.001 0.000 0.284 154 Y C 2.042 177.900 175.900 -0.071 0.000 1.154 154 Y CA 1.482 59.555 58.100 -0.045 0.000 1.149 154 Y CB -0.349 38.091 38.460 -0.032 0.000 0.976 154 Y HN -0.012 nan 8.280 nan 0.000 0.505 155 L N -0.078 121.215 121.223 0.117 0.000 1.994 155 L HA -0.205 4.135 4.340 -0.001 0.000 0.208 155 L C 2.534 179.332 176.870 -0.121 0.000 1.071 155 L CA 1.584 56.434 54.840 0.016 0.000 0.745 155 L CB -0.722 41.362 42.059 0.041 0.000 0.892 155 L HN 0.214 nan 8.230 nan 0.000 0.431 156 E N 0.612 120.693 120.200 -0.199 0.000 2.070 156 E HA -0.287 4.063 4.350 -0.001 0.000 0.197 156 E C 2.305 178.810 176.600 -0.157 0.000 1.004 156 E CA 1.516 57.800 56.400 -0.193 0.000 0.805 156 E CB -0.394 29.159 29.700 -0.246 0.000 0.744 156 E HN 0.516 nan 8.360 nan 0.000 0.451 157 A N 1.624 124.337 122.820 -0.179 0.000 1.997 157 A HA -0.231 4.089 4.320 -0.001 0.000 0.221 157 A C 1.543 179.003 177.584 -0.205 0.000 1.172 157 A CA 2.059 53.983 52.037 -0.189 0.000 0.645 157 A CB -0.497 18.362 19.000 -0.234 0.000 0.813 157 A HN 0.234 nan 8.150 nan 0.000 0.454 158 N N -0.928 117.629 118.700 -0.239 0.000 2.203 158 N HA 0.105 4.845 4.740 -0.001 0.000 0.207 158 N C -0.257 175.188 175.510 -0.109 0.000 1.130 158 N CA 0.150 53.086 53.050 -0.189 0.000 0.861 158 N CB 0.418 38.756 38.487 -0.248 0.000 1.005 158 N HN 0.320 nan 8.380 nan 0.000 0.507 159 N N 0.180 118.824 118.700 -0.094 0.000 2.754 159 N HA -0.157 4.582 4.740 -0.001 0.000 0.248 159 N C 0.012 175.504 175.510 -0.031 0.000 1.093 159 N CA 0.358 53.374 53.050 -0.058 0.000 0.699 159 N CB -1.384 37.076 38.487 -0.045 0.000 1.016 159 N HN 0.368 nan 8.380 nan 0.000 0.552 160 L N -0.482 120.725 121.223 -0.027 0.000 2.509 160 L HA 0.097 4.437 4.340 -0.001 0.000 0.222 160 L C 2.287 179.183 176.870 0.043 0.000 1.123 160 L CA 0.241 55.086 54.840 0.009 0.000 0.856 160 L CB -0.069 42.005 42.059 0.025 0.000 0.985 160 L HN 0.165 nan 8.230 nan 0.000 0.456 161 R N 0.459 120.976 120.500 0.028 0.000 2.328 161 R HA -0.118 4.222 4.340 -0.001 0.000 0.207 161 R C 0.740 177.127 176.300 0.146 0.000 1.056 161 R CA 0.891 57.032 56.100 0.068 0.000 1.016 161 R CB 0.014 30.295 30.300 -0.031 0.000 0.872 161 R HN 0.452 nan 8.270 nan 0.000 0.471 162 D N -0.479 119.983 120.400 0.102 0.000 2.360 162 D HA -0.011 4.629 4.640 -0.001 0.000 0.210 162 D C 1.019 177.377 176.300 0.098 0.000 1.047 162 D CA 0.402 54.475 54.000 0.123 0.000 0.854 162 D CB 0.519 41.361 40.800 0.070 0.000 0.936 162 D HN 0.259 nan 8.370 nan 0.000 0.514 163 K N 0.183 120.630 120.400 0.078 0.000 2.216 163 K HA 0.225 4.545 4.320 -0.001 0.000 0.207 163 K C 0.837 177.450 176.600 0.021 0.000 1.041 163 K CA 0.382 56.686 56.287 0.028 0.000 0.966 163 K CB 0.940 33.446 32.500 0.009 0.000 0.955 163 K HN -0.019 nan 8.250 nan 0.000 0.468 164 L N 0.826 122.096 121.223 0.078 0.000 2.346 164 L HA 0.418 4.757 4.340 -0.001 0.000 0.274 164 L C -1.063 175.974 176.870 0.277 0.000 1.007 164 L CA -1.082 53.805 54.840 0.078 0.000 0.818 164 L CB 1.243 43.327 42.059 0.041 0.000 1.284 164 L HN 0.007 nan 8.230 nan 0.000 0.424 165 W N 1.913 123.153 121.300 -0.100 0.000 2.655 165 W HA 0.694 5.353 4.660 -0.001 0.000 0.358 165 W C -0.209 176.255 176.519 -0.091 0.000 1.100 165 W CA -0.931 56.361 57.345 -0.088 0.000 1.195 165 W CB 0.850 30.241 29.460 -0.116 0.000 1.403 165 W HN 0.211 nan 8.180 nan 0.000 0.589 166 L N 1.161 122.501 121.223 0.194 0.000 2.440 166 L HA 0.478 4.818 4.340 -0.001 0.000 0.262 166 L C -0.088 176.852 176.870 0.115 0.000 1.072 166 L CA -0.717 54.200 54.840 0.128 0.000 0.798 166 L CB 0.978 43.110 42.059 0.120 0.000 1.307 166 L HN 0.266 nan 8.230 nan 0.000 0.475 167 D N 0.506 120.976 120.400 0.115 0.000 2.629 167 D HA 0.482 5.122 4.640 -0.001 0.000 0.250 167 D C -1.352 174.955 176.300 0.010 0.000 1.126 167 D CA -0.169 53.909 54.000 0.130 0.000 0.852 167 D CB 2.386 43.347 40.800 0.268 0.000 1.335 167 D HN 0.282 nan 8.370 nan 0.000 0.518 168 V N 1.147 121.011 119.914 -0.085 0.000 3.001 168 V HA 0.719 4.839 4.120 -0.001 0.000 0.314 168 V C -2.720 173.241 176.094 -0.222 0.000 1.099 168 V CA -2.009 60.053 62.300 -0.396 0.000 0.989 168 V CB 1.525 33.119 31.823 -0.383 0.000 1.040 168 V HN 0.358 nan 8.190 nan 0.000 0.434 169 P HA 0.364 nan 4.420 nan 0.000 0.307 169 P C 0.936 178.299 177.300 0.105 0.000 1.306 169 P CA -0.140 62.951 63.100 -0.015 0.000 0.742 169 P CB 0.464 32.185 31.700 0.036 0.000 1.349 170 S N -1.537 114.279 115.700 0.193 0.000 2.368 170 S HA -0.037 4.433 4.470 -0.001 0.000 0.225 170 S C 1.060 175.653 174.600 -0.011 0.000 1.030 170 S CA 1.111 59.367 58.200 0.094 0.000 0.999 170 S CB -0.673 62.599 63.200 0.121 0.000 0.844 170 S HN 0.227 nan 8.310 nan 0.000 0.459 171 L N -0.766 120.458 121.223 0.001 0.000 2.376 171 L HA 0.569 4.908 4.340 -0.001 0.000 0.267 171 L C 1.447 178.249 176.870 -0.113 0.000 1.035 171 L CA -0.438 54.356 54.840 -0.077 0.000 0.800 171 L CB 0.752 42.810 42.059 -0.003 0.000 1.290 171 L HN 0.185 nan 8.230 nan 0.000 0.462 172 G N -1.037 107.576 108.800 -0.311 0.000 3.192 172 G HA2 0.126 4.086 3.960 -0.001 0.000 0.239 172 G HA3 0.126 4.086 3.960 -0.001 0.000 0.239 172 G C 0.964 176.036 174.900 0.287 0.000 1.084 172 G CA 0.478 45.498 45.100 -0.134 0.000 0.784 172 G HN 0.822 nan 8.290 nan 0.000 0.540 173 G N 0.549 109.642 108.800 0.488 0.000 2.777 173 G HA2 0.358 4.318 3.960 -0.001 0.000 0.211 173 G HA3 0.358 4.318 3.960 -0.001 0.000 0.211 173 G C 1.008 176.081 174.900 0.289 0.000 1.149 173 G CA 0.514 45.891 45.100 0.461 0.000 0.785 173 G HN 0.551 nan 8.290 nan 0.000 0.536 174 G N 0.074 109.117 108.800 0.405 0.000 2.750 174 G HA2 0.327 4.286 3.960 -0.001 0.000 0.250 174 G HA3 0.327 4.286 3.960 -0.001 0.000 0.250 174 G C 0.114 175.082 174.900 0.113 0.000 1.230 174 G CA 0.371 45.665 45.100 0.323 0.000 0.883 174 G HN 0.319 nan 8.290 nan 0.000 0.573 175 S N -1.112 114.589 115.700 0.001 0.000 2.457 175 S HA 0.249 4.719 4.470 -0.001 0.000 0.289 175 S C 1.431 175.797 174.600 -0.390 0.000 1.163 175 S CA -0.728 57.369 58.200 -0.172 0.000 1.078 175 S CB 1.362 64.516 63.200 -0.077 0.000 0.987 175 S HN 0.402 nan 8.310 nan 0.000 0.482 176 V N 6.014 125.537 119.914 -0.651 0.000 2.332 176 V HA -0.126 3.994 4.120 -0.001 0.000 0.248 176 V C 2.313 178.237 176.094 -0.284 0.000 1.055 176 V CA 1.749 63.615 62.300 -0.724 0.000 1.038 176 V CB -0.848 30.646 31.823 -0.549 0.000 0.651 176 V HN 0.847 nan 8.190 nan 0.000 0.450 177 L N 1.335 122.446 121.223 -0.188 0.000 2.007 177 L HA 0.056 4.395 4.340 -0.001 0.000 0.205 177 L C 2.440 179.286 176.870 -0.041 0.000 1.073 177 L CA 2.682 57.466 54.840 -0.092 0.000 0.744 177 L CB -1.872 40.134 42.059 -0.089 0.000 0.898 177 L HN 0.319 nan 8.230 nan 0.000 0.435 178 G N 0.522 109.291 108.800 -0.052 0.000 2.476 178 G HA2 -0.390 3.570 3.960 -0.001 0.000 0.218 178 G HA3 -0.390 3.570 3.960 -0.001 0.000 0.218 178 G C 1.562 176.476 174.900 0.024 0.000 1.164 178 G CA 0.887 45.971 45.100 -0.026 0.000 0.768 178 G HN 0.568 nan 8.290 nan 0.000 0.560 179 N N 1.189 119.930 118.700 0.068 0.000 2.084 179 N HA -0.115 4.624 4.740 -0.001 0.000 0.190 179 N C 2.575 178.200 175.510 0.191 0.000 1.030 179 N CA 1.452 54.608 53.050 0.176 0.000 0.849 179 N CB -0.221 38.453 38.487 0.312 0.000 1.012 179 N HN 0.253 nan 8.380 nan 0.000 0.423 180 A N 0.997 123.912 122.820 0.157 0.000 1.902 180 A HA -0.117 4.203 4.320 -0.001 0.000 0.217 180 A C 2.418 180.162 177.584 0.267 0.000 1.181 180 A CA 2.021 54.204 52.037 0.244 0.000 0.623 180 A CB -0.889 18.205 19.000 0.157 0.000 0.818 180 A HN 0.307 nan 8.150 nan 0.000 0.443 181 V N -2.623 117.360 119.914 0.116 0.000 2.667 181 V HA -0.089 4.031 4.120 -0.001 0.000 0.252 181 V C 1.615 177.610 176.094 -0.165 0.000 1.065 181 V CA 1.788 64.064 62.300 -0.039 0.000 1.083 181 V CB -0.802 30.968 31.823 -0.088 0.000 0.692 181 V HN 0.428 nan 8.190 nan 0.000 0.468 182 E N 0.617 120.769 120.200 -0.081 0.000 2.512 182 E HA 0.043 4.393 4.350 -0.001 0.000 0.195 182 E C 0.444 176.962 176.600 -0.137 0.000 1.083 182 E CA 0.022 56.336 56.400 -0.144 0.000 0.873 182 E CB -0.196 29.453 29.700 -0.085 0.000 0.897 182 E HN 0.635 nan 8.360 nan 0.000 0.514 183 R N -0.681 119.793 120.500 -0.043 0.000 3.423 183 R HA -0.137 4.202 4.340 -0.001 0.000 0.271 183 R C 0.562 177.014 176.300 0.254 0.000 1.093 183 R CA 0.551 56.701 56.100 0.084 0.000 0.730 183 R CB -2.355 27.913 30.300 -0.052 0.000 1.190 183 R HN 0.159 nan 8.270 nan 0.000 0.437 184 G N 0.032 108.970 108.800 0.230 0.000 2.569 184 G HA2 0.454 4.413 3.960 -0.001 0.000 0.249 184 G HA3 0.454 4.413 3.960 -0.001 0.000 0.249 184 G C 0.190 175.072 174.900 -0.030 0.000 1.216 184 G CA -0.444 44.792 45.100 0.226 0.000 0.845 184 G HN 0.043 nan 8.290 nan 0.000 0.568 185 V N -0.028 119.769 119.914 -0.194 0.000 2.769 185 V HA 0.886 5.006 4.120 -0.001 0.000 0.312 185 V C 0.817 176.404 176.094 -0.845 0.000 1.058 185 V CA 0.026 61.972 62.300 -0.589 0.000 0.952 185 V CB 1.755 33.251 31.823 -0.544 0.000 1.019 185 V HN 1.116 nan 8.190 nan 0.000 0.445 186 G N 0.507 108.631 108.800 -1.126 0.000 2.733 186 G HA2 0.577 4.537 3.960 -0.001 0.000 0.288 186 G HA3 0.577 4.537 3.960 -0.001 0.000 0.288 186 G C -1.330 172.848 174.900 -1.204 0.000 1.373 186 G CA -0.287 44.191 45.100 -1.038 0.000 0.895 186 G HN 0.535 nan 8.290 nan 0.000 0.479 187 Y N -0.123 120.174 120.300 -0.005 0.000 2.612 187 Y HA 0.289 4.838 4.550 -0.001 0.000 0.250 187 Y C 1.752 177.715 175.900 0.106 0.000 1.175 187 Y CA -0.191 57.924 58.100 0.024 0.000 1.205 187 Y CB 0.345 38.805 38.460 0.000 0.000 1.201 187 Y HN 0.616 nan 8.280 nan 0.000 0.532 188 T N -2.873 111.765 114.554 0.140 0.000 2.888 188 T HA 0.270 4.620 4.350 -0.001 0.000 0.283 188 T C -1.828 172.887 174.700 0.025 0.000 1.013 188 T CA -2.171 60.011 62.100 0.136 0.000 0.938 188 T CB 1.417 70.358 68.868 0.122 0.000 1.298 188 T HN -0.245 nan 8.240 nan 0.000 0.580 189 P HA -0.000 nan 4.420 nan 0.000 0.221 189 P C 0.259 177.693 177.300 0.224 0.000 1.145 189 P CA 0.857 63.950 63.100 -0.011 0.000 0.795 189 P CB -0.151 31.462 31.700 -0.144 0.000 0.775 190 Y N -0.950 119.333 120.300 -0.029 0.000 2.532 190 Y HA 0.333 4.883 4.550 -0.001 0.000 0.283 190 Y C 2.236 178.179 175.900 0.072 0.000 1.181 190 Y CA -0.673 57.459 58.100 0.053 0.000 1.256 190 Y CB -1.230 37.290 38.460 0.100 0.000 1.112 190 Y HN -0.060 nan 8.280 nan 0.000 0.521 191 G N -0.435 108.424 108.800 0.099 0.000 2.537 191 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.220 191 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.220 191 G C 0.641 175.386 174.900 -0.258 0.000 1.111 191 G CA 0.677 45.706 45.100 -0.118 0.000 0.748 191 G HN 0.237 nan 8.290 nan 0.000 0.564 192 D N -0.289 120.067 120.400 -0.075 0.000 2.563 192 D HA 0.151 4.791 4.640 -0.001 0.000 0.222 192 D C 1.259 177.620 176.300 0.101 0.000 1.145 192 D CA -0.498 53.476 54.000 -0.043 0.000 1.001 192 D CB -0.475 40.339 40.800 0.023 0.000 1.049 192 D HN 0.486 nan 8.370 nan 0.000 0.515 193 H N 1.415 120.541 119.070 0.094 0.000 2.292 193 H HA -0.219 4.336 4.556 -0.001 0.000 0.292 193 H C 1.775 177.204 175.328 0.169 0.000 1.100 193 H CA 1.516 57.646 56.048 0.137 0.000 1.238 193 H CB 0.060 29.923 29.762 0.168 0.000 1.355 193 H HN 0.565 nan 8.280 nan 0.000 0.484 194 W N 1.238 122.634 121.300 0.161 0.000 2.335 194 W HA -0.220 4.440 4.660 -0.000 0.000 0.311 194 W C 1.572 178.190 176.519 0.165 0.000 1.213 194 W CA 0.911 58.321 57.345 0.108 0.000 1.274 194 W CB -0.054 29.445 29.460 0.064 0.000 1.148 194 W HN 0.207 nan 8.180 nan 0.000 0.498 195 M N 0.449 120.117 119.600 0.112 0.000 2.446 195 M HA -0.193 4.287 4.480 -0.001 0.000 0.263 195 M C 1.547 177.703 176.300 -0.240 0.000 1.066 195 M CA 1.154 56.415 55.300 -0.065 0.000 1.087 195 M CB -1.207 31.428 32.600 0.059 0.000 1.406 195 M HN 0.025 nan 8.290 nan 0.000 0.459 196 M N -0.794 118.691 119.600 -0.192 0.000 2.618 196 M HA 0.033 4.512 4.480 -0.001 0.000 0.240 196 M C 0.622 176.372 176.300 -0.915 0.000 1.123 196 M CA 0.253 55.364 55.300 -0.315 0.000 1.060 196 M CB -1.765 30.859 32.600 0.040 0.000 1.535 196 M HN 0.341 nan 8.290 nan 0.000 0.507 197 H N -1.696 116.790 119.070 -0.972 0.000 2.509 197 H HA 0.552 5.108 4.556 -0.001 0.000 0.359 197 H C -0.636 174.014 175.328 -1.130 0.000 1.253 197 H CA -0.589 54.880 56.048 -0.965 0.000 1.373 197 H CB 1.114 30.394 29.762 -0.804 0.000 1.555 197 H HN -0.029 nan 8.280 nan 0.000 0.586 198 S N 1.286 116.488 115.700 -0.829 0.000 2.317 198 S HA 0.455 4.925 4.470 -0.001 0.000 0.208 198 S C -0.818 173.635 174.600 -0.245 0.000 0.849 198 S CA -0.048 57.770 58.200 -0.637 0.000 1.042 198 S CB -0.387 62.445 63.200 -0.614 0.000 1.316 198 S HN 1.677 nan 8.310 nan 0.000 0.386 199 G N 4.589 113.343 108.800 -0.077 0.000 2.788 199 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.301 199 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.301 199 G C -0.572 174.435 174.900 0.178 0.000 1.000 199 G CA -0.171 44.953 45.100 0.040 0.000 1.267 199 G HN 0.938 nan 8.290 nan 0.000 0.578 200 M N 0.135 119.887 119.600 0.253 0.000 2.472 200 M HA 0.827 5.307 4.480 -0.001 0.000 0.331 200 M C -0.133 176.312 176.300 0.243 0.000 1.170 200 M CA -1.027 54.398 55.300 0.209 0.000 1.009 200 M CB 2.308 34.931 32.600 0.038 0.000 1.672 200 M HN 0.313 nan 8.290 nan 0.000 0.453 201 E N 2.176 122.500 120.200 0.207 0.000 2.145 201 E HA 0.564 4.913 4.350 -0.001 0.000 0.270 201 E C -1.825 174.705 176.600 -0.116 0.000 0.906 201 E CA -0.732 55.687 56.400 0.032 0.000 0.761 201 E CB 1.803 31.541 29.700 0.064 0.000 1.116 201 E HN 0.685 nan 8.360 nan 0.000 0.408 202 V N 4.030 123.813 119.914 -0.218 0.000 2.667 202 V HA 0.336 4.456 4.120 -0.001 0.000 0.308 202 V C -0.220 175.775 176.094 -0.165 0.000 1.048 202 V CA -0.927 61.201 62.300 -0.287 0.000 0.928 202 V CB 1.882 33.343 31.823 -0.603 0.000 1.004 202 V HN 0.524 nan 8.190 nan 0.000 0.444 203 V N 5.446 125.285 119.914 -0.126 0.000 2.350 203 V HA 0.387 4.507 4.120 -0.001 0.000 0.276 203 V C 0.168 176.236 176.094 -0.044 0.000 1.028 203 V CA -0.266 61.990 62.300 -0.074 0.000 0.860 203 V CB 1.118 32.905 31.823 -0.060 0.000 0.990 203 V HN 0.611 nan 8.190 nan 0.000 0.453 204 L N 3.518 124.734 121.223 -0.011 0.000 2.479 204 L HA 0.395 4.734 4.340 -0.001 0.000 0.248 204 L C 1.938 178.819 176.870 0.018 0.000 1.205 204 L CA 0.099 54.957 54.840 0.030 0.000 0.817 204 L CB 0.290 42.378 42.059 0.048 0.000 1.162 204 L HN 0.673 nan 8.230 nan 0.000 0.486 205 A N 0.861 123.696 122.820 0.025 0.000 1.972 205 A HA -0.181 4.138 4.320 -0.001 0.000 0.219 205 A C 1.750 179.348 177.584 0.024 0.000 1.169 205 A CA 1.814 53.864 52.037 0.021 0.000 0.635 205 A CB -0.844 18.166 19.000 0.016 0.000 0.810 205 A HN 0.936 nan 8.150 nan 0.000 0.446 206 N N -1.037 117.675 118.700 0.020 0.000 2.515 206 N HA 0.182 4.922 4.740 -0.001 0.000 0.185 206 N C 1.090 176.607 175.510 0.012 0.000 1.109 206 N CA 1.432 54.492 53.050 0.017 0.000 0.903 206 N CB -0.530 37.965 38.487 0.013 0.000 0.969 206 N HN 0.874 nan 8.380 nan 0.000 0.450 207 G N -0.700 108.105 108.800 0.007 0.000 2.175 207 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.244 207 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.244 207 G C -0.512 174.380 174.900 -0.013 0.000 0.982 207 G CA 0.141 45.239 45.100 -0.003 0.000 0.641 207 G HN 0.532 nan 8.290 nan 0.000 0.527 208 E N -0.328 119.866 120.200 -0.010 0.000 2.319 208 E HA 0.652 5.001 4.350 -0.001 0.000 0.268 208 E C 0.128 176.710 176.600 -0.030 0.000 1.050 208 E CA -0.651 55.738 56.400 -0.018 0.000 0.878 208 E CB 1.613 31.306 29.700 -0.010 0.000 1.066 208 E HN 0.218 nan 8.360 nan 0.000 0.406 209 L N 3.171 124.366 121.223 -0.047 0.000 2.289 209 L HA 0.483 4.822 4.340 -0.001 0.000 0.285 209 L C -0.785 176.039 176.870 -0.076 0.000 1.049 209 L CA -0.522 54.275 54.840 -0.072 0.000 0.804 209 L CB 0.803 42.811 42.059 -0.085 0.000 1.195 209 L HN 0.396 nan 8.230 nan 0.000 0.428 210 L N 4.733 125.902 121.223 -0.090 0.000 2.409 210 L HA 0.649 4.988 4.340 -0.001 0.000 0.262 210 L C -1.340 175.463 176.870 -0.112 0.000 0.992 210 L CA -0.690 54.106 54.840 -0.074 0.000 0.817 210 L CB 1.841 43.890 42.059 -0.017 0.000 1.350 210 L HN 0.587 nan 8.230 nan 0.000 0.411 211 R N 2.259 122.698 120.500 -0.101 0.000 2.513 211 R HA 0.391 4.731 4.340 -0.001 0.000 0.301 211 R C -0.430 175.893 176.300 0.039 0.000 0.968 211 R CA -0.595 55.454 56.100 -0.085 0.000 0.872 211 R CB 1.612 31.736 30.300 -0.293 0.000 1.177 211 R HN 0.791 nan 8.270 nan 0.000 0.444 212 T N -0.932 113.693 114.554 0.118 0.000 2.726 212 T HA 0.382 4.732 4.350 -0.001 0.000 0.294 212 T C 1.237 176.052 174.700 0.192 0.000 1.013 212 T CA 0.497 62.703 62.100 0.177 0.000 0.996 212 T CB 0.957 69.957 68.868 0.221 0.000 1.016 212 T HN 0.791 nan 8.240 nan 0.000 0.529 213 G N 1.378 110.308 108.800 0.216 0.000 2.685 213 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.329 213 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.329 213 G C 1.070 176.072 174.900 0.169 0.000 1.271 213 G CA 0.775 45.992 45.100 0.196 0.000 1.003 213 G HN 0.777 nan 8.290 nan 0.000 0.549 214 M N 2.084 121.765 119.600 0.135 0.000 2.562 214 M HA 0.057 4.537 4.480 -0.001 0.000 0.257 214 M C 2.744 179.119 176.300 0.124 0.000 1.099 214 M CA 1.486 56.867 55.300 0.134 0.000 1.099 214 M CB -1.126 31.557 32.600 0.138 0.000 1.427 214 M HN 0.663 nan 8.290 nan 0.000 0.489 215 G N 0.189 109.094 108.800 0.174 0.000 2.527 215 G HA2 -0.035 3.925 3.960 -0.001 0.000 0.219 215 G HA3 -0.035 3.925 3.960 -0.001 0.000 0.219 215 G C 1.432 176.352 174.900 0.033 0.000 1.117 215 G CA 0.922 46.150 45.100 0.214 0.000 0.759 215 G HN 0.546 nan 8.290 nan 0.000 0.556 216 A N -0.458 122.398 122.820 0.060 0.000 2.218 216 A HA 0.405 4.724 4.320 -0.001 0.000 0.209 216 A C 0.968 178.562 177.584 0.018 0.000 1.168 216 A CA -0.105 51.947 52.037 0.025 0.000 0.804 216 A CB 0.054 19.093 19.000 0.065 0.000 0.834 216 A HN 0.306 nan 8.150 nan 0.000 0.482 217 L N 2.582 123.828 121.223 0.038 0.000 2.295 217 L HA 0.310 4.650 4.340 -0.001 0.000 0.288 217 L C -2.481 174.398 176.870 0.015 0.000 1.079 217 L CA -1.892 52.967 54.840 0.031 0.000 0.830 217 L CB 0.860 42.949 42.059 0.050 0.000 1.200 217 L HN 0.051 nan 8.230 nan 0.000 0.438 218 P HA 0.030 nan 4.420 nan 0.000 0.268 218 P C -0.789 176.515 177.300 0.007 0.000 1.205 218 P CA -0.209 62.882 63.100 -0.016 0.000 0.771 218 P CB 0.883 32.571 31.700 -0.021 0.000 0.858 219 D N 3.562 123.970 120.400 0.013 0.000 2.308 219 D HA 0.218 4.857 4.640 -0.001 0.000 0.251 219 D C -1.869 174.442 176.300 0.019 0.000 1.127 219 D CA -1.854 52.169 54.000 0.037 0.000 0.876 219 D CB -0.094 40.748 40.800 0.070 0.000 1.176 219 D HN 0.186 nan 8.370 nan 0.000 0.446 220 P HA 0.050 nan 4.420 nan 0.000 0.269 220 P C -0.639 176.667 177.300 0.011 0.000 1.209 220 P CA -0.419 62.688 63.100 0.011 0.000 0.776 220 P CB 0.310 32.017 31.700 0.011 0.000 0.876 221 K N 2.311 122.714 120.400 0.004 0.000 2.550 221 K HA 0.084 4.403 4.320 -0.001 0.000 0.280 221 K C 0.759 177.364 176.600 0.008 0.000 0.987 221 K CA 0.134 56.423 56.287 0.004 0.000 1.048 221 K CB -0.398 32.102 32.500 -0.000 0.000 0.879 221 K HN 0.847 nan 8.250 nan 0.000 0.491 222 R N 1.750 122.256 120.500 0.009 0.000 2.629 222 R HA 0.304 4.644 4.340 -0.001 0.000 0.266 222 R C -2.682 173.623 176.300 0.009 0.000 1.051 222 R CA -1.723 54.383 56.100 0.011 0.000 0.895 222 R CB 1.253 31.563 30.300 0.016 0.000 1.246 222 R HN 0.313 nan 8.270 nan 0.000 0.459 223 P HA -0.228 nan 4.420 nan 0.000 0.216 223 P C 0.310 177.614 177.300 0.008 0.000 1.167 223 P CA 1.606 64.710 63.100 0.007 0.000 0.914 223 P CB 0.141 31.845 31.700 0.007 0.000 0.793 224 E N -1.253 118.954 120.200 0.011 0.000 2.396 224 E HA -0.094 4.255 4.350 -0.001 0.000 0.200 224 E C 1.248 177.856 176.600 0.015 0.000 1.023 224 E CA 1.528 57.936 56.400 0.013 0.000 0.857 224 E CB -1.226 28.484 29.700 0.017 0.000 0.775 224 E HN 0.458 nan 8.360 nan 0.000 0.525 225 T N -2.863 111.699 114.554 0.013 0.000 3.091 225 T HA 0.266 4.615 4.350 -0.001 0.000 0.277 225 T C 0.503 175.206 174.700 0.005 0.000 0.996 225 T CA -0.559 61.549 62.100 0.013 0.000 0.897 225 T CB 0.115 68.994 68.868 0.019 0.000 1.109 225 T HN -0.151 nan 8.240 nan 0.000 0.534 226 M N 1.715 121.316 119.600 0.003 0.000 2.250 226 M HA 0.359 4.839 4.480 -0.001 0.000 0.325 226 M C 1.874 178.172 176.300 -0.004 0.000 1.084 226 M CA 0.868 56.167 55.300 -0.001 0.000 1.161 226 M CB -0.982 31.617 32.600 -0.001 0.000 1.481 226 M HN 0.553 nan 8.290 nan 0.000 0.449 227 G N 1.689 110.485 108.800 -0.007 0.000 2.186 227 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.266 227 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.266 227 G C 0.176 175.069 174.900 -0.011 0.000 0.982 227 G CA 0.181 45.275 45.100 -0.009 0.000 0.670 227 G HN 0.607 nan 8.290 nan 0.000 0.533 228 L N -0.030 121.186 121.223 -0.011 0.000 2.426 228 L HA 0.249 4.588 4.340 -0.001 0.000 0.271 228 L C 1.246 178.102 176.870 -0.024 0.000 1.169 228 L CA -0.201 54.631 54.840 -0.014 0.000 0.836 228 L CB 0.573 42.625 42.059 -0.010 0.000 1.112 228 L HN 0.058 nan 8.230 nan 0.000 0.465 229 K N 3.424 123.809 120.400 -0.024 0.000 2.401 229 K HA 0.075 4.394 4.320 -0.001 0.000 0.278 229 K C -1.514 175.057 176.600 -0.047 0.000 1.018 229 K CA -1.415 54.852 56.287 -0.033 0.000 0.981 229 K CB 1.079 33.562 32.500 -0.028 0.000 0.933 229 K HN 0.264 nan 8.250 nan 0.000 0.477 230 P HA -0.277 nan 4.420 nan 0.000 0.216 230 P C 0.434 177.668 177.300 -0.111 0.000 1.167 230 P CA 1.652 64.698 63.100 -0.090 0.000 0.933 230 P CB 0.175 31.822 31.700 -0.087 0.000 0.793 231 E N -0.036 120.108 120.200 -0.092 0.000 2.119 231 E HA -0.233 4.117 4.350 -0.001 0.000 0.221 231 E C 1.296 177.861 176.600 -0.060 0.000 1.062 231 E CA 1.935 58.287 56.400 -0.080 0.000 0.894 231 E CB -1.455 28.218 29.700 -0.046 0.000 0.785 231 E HN 0.430 nan 8.360 nan 0.000 0.472 232 D N 1.351 121.730 120.400 -0.034 0.000 2.346 232 D HA -0.030 4.610 4.640 -0.001 0.000 0.248 232 D C -0.023 176.272 176.300 -0.008 0.000 1.173 232 D CA 0.361 54.359 54.000 -0.005 0.000 0.878 232 D CB -0.163 40.638 40.800 0.002 0.000 0.919 232 D HN 0.414 nan 8.370 nan 0.000 0.513 233 Q N 1.163 120.931 119.800 -0.052 0.000 2.256 233 Q HA 0.324 4.664 4.340 -0.001 0.000 0.232 233 Q C -2.104 173.904 176.000 0.012 0.000 0.965 233 Q CA -1.699 54.083 55.803 -0.034 0.000 0.908 233 Q CB 0.479 29.169 28.738 -0.079 0.000 1.209 233 Q HN 0.005 nan 8.270 nan 0.000 0.489 234 P HA 0.044 nan 4.420 nan 0.000 0.274 234 P C -1.274 176.174 177.300 0.247 0.000 1.260 234 P CA -0.097 63.128 63.100 0.209 0.000 0.793 234 P CB 0.394 32.187 31.700 0.155 0.000 1.048 235 W N -0.714 120.643 121.300 0.095 0.000 2.639 235 W HA 0.434 5.094 4.660 -0.001 0.000 0.347 235 W C 0.391 176.939 176.519 0.049 0.000 1.067 235 W CA -0.453 56.935 57.345 0.072 0.000 1.218 235 W CB 0.129 29.654 29.460 0.107 0.000 1.393 235 W HN 0.261 nan 8.180 nan 0.000 0.557 236 S N 0.774 116.617 115.700 0.239 0.000 2.592 236 S HA 0.195 4.664 4.470 -0.001 0.000 0.271 236 S C 0.982 175.658 174.600 0.127 0.000 1.326 236 S CA -0.527 57.757 58.200 0.140 0.000 1.024 236 S CB 1.142 64.393 63.200 0.085 0.000 0.921 236 S HN 0.561 nan 8.310 nan 0.000 0.527 237 K N 0.836 121.296 120.400 0.100 0.000 2.071 237 K HA -0.193 4.127 4.320 -0.001 0.000 0.217 237 K C 1.484 178.116 176.600 0.054 0.000 1.054 237 K CA 1.907 58.247 56.287 0.089 0.000 0.937 237 K CB -0.682 31.855 32.500 0.062 0.000 0.719 237 K HN 0.594 nan 8.250 nan 0.000 0.454 238 I N 0.955 121.544 120.570 0.032 0.000 3.444 238 I HA -0.014 4.155 4.170 -0.001 0.000 0.287 238 I C 2.301 178.404 176.117 -0.024 0.000 1.302 238 I CA 0.524 61.832 61.300 0.015 0.000 1.368 238 I CB -1.787 36.233 38.000 0.034 0.000 1.048 238 I HN 0.122 nan 8.210 nan 0.000 0.487 239 A N 1.521 124.288 122.820 -0.089 0.000 1.896 239 A HA -0.252 4.067 4.320 -0.001 0.000 0.220 239 A C 1.831 179.096 177.584 -0.530 0.000 1.206 239 A CA 2.067 53.937 52.037 -0.277 0.000 0.647 239 A CB -1.260 17.450 19.000 -0.483 0.000 0.828 239 A HN 0.588 nan 8.150 nan 0.000 0.455 240 H N -1.289 117.600 119.070 -0.302 0.000 2.519 240 H HA 0.459 5.015 4.556 -0.001 0.000 0.289 240 H C 1.078 176.239 175.328 -0.278 0.000 1.040 240 H CA 0.266 56.006 56.048 -0.513 0.000 1.165 240 H CB 0.107 29.212 29.762 -1.095 0.000 1.462 240 H HN 0.422 nan 8.280 nan 0.000 0.555 241 L N -1.530 119.672 121.223 -0.036 0.000 2.685 241 L HA 0.229 4.569 4.340 -0.001 0.000 0.235 241 L C -0.297 176.677 176.870 0.174 0.000 1.070 241 L CA -0.019 54.849 54.840 0.046 0.000 0.888 241 L CB 0.743 42.783 42.059 -0.032 0.000 1.203 241 L HN 0.087 nan 8.230 nan 0.000 0.499 242 F N 2.440 122.380 119.950 -0.017 0.000 2.553 242 F HA 0.485 5.011 4.527 -0.001 0.000 0.335 242 F C -2.169 173.575 175.800 -0.094 0.000 1.148 242 F CA -2.681 55.281 58.000 -0.063 0.000 0.963 242 F CB 1.684 40.643 39.000 -0.069 0.000 1.217 242 F HN -0.251 nan 8.300 nan 0.000 0.441 243 P HA -0.172 nan 4.420 nan 0.000 0.217 243 P C 1.308 178.336 177.300 -0.453 0.000 1.151 243 P CA 1.441 64.242 63.100 -0.499 0.000 0.828 243 P CB 0.065 31.385 31.700 -0.634 0.000 0.788 244 Y N 0.500 120.192 120.300 -1.013 0.000 2.081 244 Y HA -0.036 4.514 4.550 -0.001 0.000 0.280 244 Y C 2.288 178.046 175.900 -0.237 0.000 1.163 244 Y CA 0.984 58.562 58.100 -0.870 0.000 1.135 244 Y CB -1.560 36.276 38.460 -1.040 0.000 0.970 244 Y HN 0.119 nan 8.280 nan 0.000 0.498 245 G N -0.244 108.685 108.800 0.215 0.000 2.512 245 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.254 245 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.254 245 G C -0.693 174.456 174.900 0.415 0.000 1.199 245 G CA 0.062 45.367 45.100 0.343 0.000 0.941 245 G HN 0.400 nan 8.290 nan 0.000 0.569 246 F N 1.458 121.507 119.950 0.166 0.000 2.561 246 F HA 0.644 5.171 4.527 -0.001 0.000 0.321 246 F C 0.914 176.773 175.800 0.098 0.000 1.065 246 F CA 1.426 59.500 58.000 0.122 0.000 0.934 246 F CB 1.522 40.579 39.000 0.096 0.000 1.215 246 F HN 2.392 nan 8.300 nan 0.000 0.471 247 G N 3.732 112.051 108.800 -0.802 0.000 2.645 247 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.239 247 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.239 247 G C -2.715 172.089 174.900 -0.160 0.000 1.331 247 G CA -0.735 44.079 45.100 -0.475 0.000 0.890 247 G HN 0.679 nan 8.290 nan 0.000 0.572 248 P HA 0.286 nan 4.420 nan 0.000 0.263 248 P C -0.604 176.784 177.300 0.146 0.000 1.195 248 P CA -0.034 63.089 63.100 0.037 0.000 0.762 248 P CB 0.227 31.953 31.700 0.044 0.000 0.799 249 Y N 4.779 125.087 120.300 0.013 0.000 2.632 249 Y HA 0.160 4.710 4.550 -0.001 0.000 0.336 249 Y C 1.346 177.313 175.900 0.113 0.000 1.237 249 Y CA -1.193 56.950 58.100 0.073 0.000 1.595 249 Y CB -0.801 37.695 38.460 0.060 0.000 1.508 249 Y HN 0.339 nan 8.280 nan 0.000 0.480 250 I N -1.104 119.549 120.570 0.139 0.000 2.830 250 I HA -0.111 4.058 4.170 -0.001 0.000 0.263 250 I C 1.266 177.403 176.117 0.033 0.000 1.230 250 I CA 0.938 62.267 61.300 0.049 0.000 1.480 250 I CB -0.013 38.055 38.000 0.113 0.000 1.095 250 I HN 0.184 nan 8.210 nan 0.000 0.455 251 D N 2.776 123.193 120.400 0.027 0.000 2.192 251 D HA -0.227 4.413 4.640 -0.001 0.000 0.189 251 D C 2.328 178.814 176.300 0.309 0.000 1.007 251 D CA 2.126 56.253 54.000 0.211 0.000 0.859 251 D CB -0.759 40.109 40.800 0.112 0.000 0.936 251 D HN 0.559 nan 8.370 nan 0.000 0.447 252 G N 0.091 108.936 108.800 0.076 0.000 2.470 252 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.220 252 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.220 252 G C 1.520 176.306 174.900 -0.189 0.000 1.121 252 G CA 0.157 45.262 45.100 0.008 0.000 0.766 252 G HN 0.279 nan 8.290 nan 0.000 0.553 253 L N -0.600 120.462 121.223 -0.269 0.000 2.353 253 L HA 0.048 4.388 4.340 -0.001 0.000 0.220 253 L C 1.237 177.754 176.870 -0.588 0.000 1.133 253 L CA 0.482 55.031 54.840 -0.484 0.000 0.798 253 L CB -0.099 41.517 42.059 -0.737 0.000 0.922 253 L HN 0.228 nan 8.230 nan 0.000 0.445 254 F N -1.638 118.212 119.950 -0.166 0.000 2.647 254 F HA 0.161 4.688 4.527 -0.001 0.000 0.300 254 F C 1.011 176.596 175.800 -0.360 0.000 1.106 254 F CA -0.599 57.287 58.000 -0.190 0.000 1.313 254 F CB -0.206 38.747 39.000 -0.078 0.000 1.007 254 F HN -0.106 nan 8.300 nan 0.000 0.536 255 S N -0.608 114.810 115.700 -0.469 0.000 2.509 255 S HA 0.319 4.789 4.470 -0.001 0.000 0.297 255 S C 0.115 174.447 174.600 -0.447 0.000 1.118 255 S CA -0.809 56.967 58.200 -0.707 0.000 1.074 255 S CB 1.440 63.807 63.200 -1.388 0.000 1.038 255 S HN 0.331 nan 8.310 nan 0.000 0.498 256 Q N 0.261 119.841 119.800 -0.366 0.000 2.416 256 Q HA -0.217 4.123 4.340 -0.001 0.000 0.319 256 Q C 0.030 175.865 176.000 -0.274 0.000 1.318 256 Q CA 0.961 56.581 55.803 -0.304 0.000 0.915 256 Q CB -2.029 26.523 28.738 -0.312 0.000 1.184 256 Q HN 0.985 nan 8.270 nan 0.000 0.444 257 S N -0.826 114.714 115.700 -0.266 0.000 2.671 257 S HA 0.593 5.063 4.470 -0.001 0.000 0.277 257 S C -0.270 174.179 174.600 -0.251 0.000 1.165 257 S CA -0.492 57.555 58.200 -0.255 0.000 0.822 257 S CB 1.215 64.260 63.200 -0.258 0.000 1.150 257 S HN 0.311 nan 8.310 nan 0.000 0.479 258 N N 0.178 118.733 118.700 -0.243 0.000 2.453 258 N HA 0.248 4.988 4.740 -0.001 0.000 0.270 258 N C 0.353 175.773 175.510 -0.151 0.000 1.195 258 N CA -0.474 52.442 53.050 -0.223 0.000 0.902 258 N CB 0.049 38.386 38.487 -0.249 0.000 1.186 258 N HN 0.517 nan 8.380 nan 0.000 0.510 259 M N -0.590 118.941 119.600 -0.114 0.000 2.431 259 M HA 0.384 4.864 4.480 -0.001 0.000 0.237 259 M C 0.447 176.840 176.300 0.155 0.000 1.130 259 M CA -0.016 55.246 55.300 -0.063 0.000 1.002 259 M CB -0.247 32.184 32.600 -0.281 0.000 1.524 259 M HN 0.356 nan 8.290 nan 0.000 0.482 260 G N 0.791 109.677 108.800 0.143 0.000 2.316 260 G HA2 0.417 4.377 3.960 -0.001 0.000 0.296 260 G HA3 0.417 4.377 3.960 -0.001 0.000 0.296 260 G C -1.737 173.152 174.900 -0.019 0.000 1.399 260 G CA -0.984 44.183 45.100 0.112 0.000 0.833 260 G HN 0.140 nan 8.290 nan 0.000 0.565 261 I N 0.523 121.047 120.570 -0.077 0.000 2.354 261 I HA 0.430 4.600 4.170 -0.001 0.000 0.292 261 I C 0.023 176.056 176.117 -0.140 0.000 0.989 261 I CA -1.105 60.129 61.300 -0.111 0.000 1.188 261 I CB 1.946 39.889 38.000 -0.094 0.000 1.342 261 I HN 0.192 nan 8.210 nan 0.000 0.457 262 V N 5.299 125.130 119.914 -0.139 0.000 2.385 262 V HA 0.135 4.254 4.120 -0.001 0.000 0.269 262 V C 1.090 177.129 176.094 -0.091 0.000 1.043 262 V CA -0.036 62.182 62.300 -0.137 0.000 0.906 262 V CB 1.106 32.856 31.823 -0.121 0.000 0.995 262 V HN 0.966 nan 8.190 nan 0.000 0.467 263 T N 1.481 115.995 114.554 -0.067 0.000 2.990 263 T HA 0.361 4.710 4.350 -0.001 0.000 0.250 263 T C 0.429 175.134 174.700 0.008 0.000 1.041 263 T CA -0.019 62.060 62.100 -0.035 0.000 1.010 263 T CB 0.387 69.236 68.868 -0.032 0.000 1.003 263 T HN 0.478 nan 8.240 nan 0.000 0.499 264 K N -0.177 120.251 120.400 0.046 0.000 2.555 264 K HA 0.802 5.121 4.320 -0.001 0.000 0.279 264 K C -1.975 174.660 176.600 0.059 0.000 0.986 264 K CA -0.751 55.592 56.287 0.094 0.000 0.880 264 K CB 2.922 35.603 32.500 0.301 0.000 1.474 264 K HN 0.211 nan 8.250 nan 0.000 0.433 265 I N -0.197 120.362 120.570 -0.019 0.000 2.800 265 I HA 0.472 4.642 4.170 -0.001 0.000 0.294 265 I C -1.341 174.682 176.117 -0.157 0.000 1.538 265 I CA -0.373 60.891 61.300 -0.059 0.000 1.010 265 I CB 1.986 39.949 38.000 -0.062 0.000 1.381 265 I HN 0.655 nan 8.210 nan 0.000 0.462 266 G N 7.255 115.958 108.800 -0.163 0.000 2.343 266 G HA2 0.643 4.602 3.960 -0.001 0.000 0.319 266 G HA3 0.643 4.602 3.960 -0.001 0.000 0.319 266 G C -1.035 173.747 174.900 -0.197 0.000 1.126 266 G CA -0.351 44.622 45.100 -0.212 0.000 0.889 266 G HN 0.334 nan 8.290 nan 0.000 0.457 267 I N 1.963 122.470 120.570 -0.105 0.000 2.433 267 I HA 0.348 4.518 4.170 -0.001 0.000 0.292 267 I C -0.618 175.562 176.117 0.105 0.000 1.001 267 I CA -1.481 59.769 61.300 -0.084 0.000 1.119 267 I CB 1.666 39.641 38.000 -0.041 0.000 1.289 267 I HN 0.436 nan 8.210 nan 0.000 0.438 268 W N 6.312 127.675 121.300 0.105 0.000 2.218 268 W HA 0.397 5.056 4.660 -0.001 0.000 0.326 268 W C -0.185 176.519 176.519 0.307 0.000 1.276 268 W CA -0.585 56.878 57.345 0.197 0.000 1.210 268 W CB 0.422 29.963 29.460 0.134 0.000 1.143 268 W HN 0.219 nan 8.180 nan 0.000 0.563 269 L N 4.390 125.882 121.223 0.447 0.000 2.329 269 L HA 0.423 4.763 4.340 -0.001 0.000 0.279 269 L C 0.393 177.197 176.870 -0.109 0.000 1.014 269 L CA -0.926 54.010 54.840 0.161 0.000 0.814 269 L CB 1.702 43.812 42.059 0.085 0.000 1.257 269 L HN 0.237 nan 8.230 nan 0.000 0.424 270 M N 4.914 124.107 119.600 -0.678 0.000 2.194 270 M HA 0.282 4.762 4.480 -0.001 0.000 0.347 270 M C -2.293 173.729 176.300 -0.463 0.000 1.439 270 M CA -1.339 53.369 55.300 -0.986 0.000 1.131 270 M CB 1.044 32.826 32.600 -1.364 0.000 1.733 270 M HN 0.206 nan 8.290 nan 0.000 0.467 271 P HA -0.041 nan 4.420 nan 0.000 0.269 271 P C -0.768 176.231 177.300 -0.502 0.000 1.217 271 P CA -0.098 62.831 63.100 -0.286 0.000 0.783 271 P CB 0.358 31.943 31.700 -0.191 0.000 0.898 272 N N 2.776 121.186 118.700 -0.484 0.000 2.411 272 N HA -0.021 4.719 4.740 -0.001 0.000 0.261 272 N C -1.309 173.916 175.510 -0.474 0.000 1.248 272 N CA -0.911 51.730 53.050 -0.683 0.000 0.885 272 N CB 0.176 38.505 38.487 -0.263 0.000 1.062 272 N HN 0.267 nan 8.380 nan 0.000 0.471 273 P HA 0.130 nan 4.420 nan 0.000 0.240 273 P C 0.106 177.321 177.300 -0.141 0.000 1.190 273 P CA 0.317 63.239 63.100 -0.296 0.000 0.781 273 P CB 0.167 31.702 31.700 -0.275 0.000 0.931 274 G N -0.218 108.510 108.800 -0.120 0.000 2.385 274 G HA2 0.182 4.142 3.960 -0.001 0.000 0.294 274 G HA3 0.182 4.142 3.960 -0.001 0.000 0.294 274 G C 0.262 175.174 174.900 0.021 0.000 1.070 274 G CA -0.125 44.961 45.100 -0.024 0.000 1.172 274 G HN 0.734 nan 8.290 nan 0.000 0.516 275 G N -0.954 107.888 108.800 0.070 0.000 2.957 275 G HA2 0.567 4.526 3.960 -0.001 0.000 0.636 275 G HA3 0.567 4.526 3.960 -0.001 0.000 0.636 275 G C -1.049 173.964 174.900 0.188 0.000 1.401 275 G CA 0.016 45.176 45.100 0.100 0.000 0.941 275 G HN 1.914 nan 8.290 nan 0.000 0.610 276 Y N 1.259 121.564 120.300 0.008 0.000 2.571 276 Y HA 0.822 5.372 4.550 -0.001 0.000 0.341 276 Y C -0.833 174.966 175.900 -0.169 0.000 1.076 276 Y CA -1.148 56.920 58.100 -0.053 0.000 1.029 276 Y CB 2.757 41.311 38.460 0.157 0.000 1.308 276 Y HN 1.032 nan 8.280 nan 0.000 0.461 277 Q N 2.401 121.534 119.800 -1.112 0.000 2.430 277 Q HA 0.501 4.840 4.340 -0.001 0.000 0.253 277 Q C -1.627 173.673 176.000 -1.168 0.000 0.945 277 Q CA -0.445 54.733 55.803 -1.042 0.000 0.964 277 Q CB 1.586 29.837 28.738 -0.812 0.000 1.460 277 Q HN 0.764 nan 8.270 nan 0.000 0.428 278 S N 2.114 117.247 115.700 -0.946 0.000 2.646 278 S HA 0.938 5.407 4.470 -0.001 0.000 0.273 278 S C -0.596 173.725 174.600 -0.466 0.000 1.168 278 S CA 0.087 57.905 58.200 -0.637 0.000 1.013 278 S CB 0.669 63.655 63.200 -0.358 0.000 1.098 278 S HN 1.121 nan 8.310 nan 0.000 0.544 279 Y N -2.575 117.526 120.300 -0.331 0.000 2.786 279 Y HA 0.642 5.192 4.550 -0.001 0.000 0.365 279 Y C -2.127 173.713 175.900 -0.101 0.000 1.171 279 Y CA -1.589 56.417 58.100 -0.156 0.000 1.214 279 Y CB 0.394 38.663 38.460 -0.318 0.000 1.411 279 Y HN 0.749 nan 8.280 nan 0.000 0.485 280 L N 3.423 124.794 121.223 0.247 0.000 2.441 280 L HA 0.750 5.090 4.340 -0.001 0.000 0.270 280 L C -1.909 175.103 176.870 0.236 0.000 0.973 280 L CA -0.889 53.927 54.840 -0.039 0.000 0.842 280 L CB 1.353 43.279 42.059 -0.222 0.000 1.239 280 L HN 0.693 nan 8.230 nan 0.000 0.406 281 I N 4.262 124.929 120.570 0.162 0.000 2.321 281 I HA 0.455 4.625 4.170 -0.001 0.000 0.291 281 I C 0.279 176.396 176.117 0.001 0.000 0.998 281 I CA -0.348 60.977 61.300 0.041 0.000 1.227 281 I CB 1.870 39.812 38.000 -0.096 0.000 1.368 281 I HN 0.755 nan 8.210 nan 0.000 0.466 282 T N 5.280 119.836 114.554 0.004 0.000 2.829 282 T HA 0.740 5.089 4.350 -0.001 0.000 0.282 282 T C -0.559 174.161 174.700 0.034 0.000 0.990 282 T CA -0.801 61.328 62.100 0.048 0.000 1.028 282 T CB 1.098 70.023 68.868 0.095 0.000 0.951 282 T HN 0.338 nan 8.240 nan 0.000 0.460 283 L N 4.221 125.503 121.223 0.098 0.000 2.305 283 L HA 0.416 4.755 4.340 -0.001 0.000 0.284 283 L C -1.941 174.997 176.870 0.113 0.000 1.013 283 L CA -2.503 52.407 54.840 0.118 0.000 0.819 283 L CB 1.777 43.949 42.059 0.188 0.000 1.227 283 L HN 0.377 nan 8.230 nan 0.000 0.417 284 P HA -0.080 nan 4.420 nan 0.000 0.210 284 P C -0.073 177.280 177.300 0.088 0.000 1.191 284 P CA 1.043 64.182 63.100 0.065 0.000 0.917 284 P CB 0.228 31.956 31.700 0.046 0.000 0.778 285 K N 0.519 120.984 120.400 0.108 0.000 2.270 285 K HA 0.008 4.328 4.320 -0.001 0.000 0.276 285 K C 0.886 177.628 176.600 0.236 0.000 1.023 285 K CA 0.111 56.477 56.287 0.132 0.000 0.955 285 K CB 0.217 32.778 32.500 0.102 0.000 0.975 285 K HN -0.041 nan 8.250 nan 0.000 0.471 286 D N 2.262 122.807 120.400 0.242 0.000 2.149 286 D HA -0.147 4.493 4.640 -0.001 0.000 0.194 286 D C 1.147 177.738 176.300 0.486 0.000 1.001 286 D CA 1.689 55.946 54.000 0.428 0.000 0.849 286 D CB 0.008 41.011 40.800 0.339 0.000 0.939 286 D HN 0.745 nan 8.370 nan 0.000 0.449 287 G N -0.894 108.067 108.800 0.268 0.000 3.379 287 G HA2 -0.008 3.952 3.960 -0.001 0.000 0.253 287 G HA3 -0.008 3.952 3.960 -0.001 0.000 0.253 287 G C 0.522 175.461 174.900 0.066 0.000 1.262 287 G CA -0.162 45.031 45.100 0.156 0.000 0.959 287 G HN 0.145 nan 8.290 nan 0.000 0.524 288 D N -0.015 120.432 120.400 0.077 0.000 2.349 288 D HA 0.023 4.663 4.640 -0.001 0.000 0.214 288 D C 2.176 178.421 176.300 -0.091 0.000 1.063 288 D CA -0.323 53.688 54.000 0.017 0.000 0.847 288 D CB 0.748 41.588 40.800 0.066 0.000 0.933 288 D HN 0.287 nan 8.370 nan 0.000 0.513 289 L N 1.830 122.900 121.223 -0.254 0.000 1.994 289 L HA -0.174 4.165 4.340 -0.001 0.000 0.208 289 L C 2.238 178.890 176.870 -0.363 0.000 1.071 289 L CA 1.947 56.465 54.840 -0.537 0.000 0.745 289 L CB -0.444 40.974 42.059 -1.068 0.000 0.892 289 L HN -0.155 nan 8.230 nan 0.000 0.431 290 K N -0.608 119.643 120.400 -0.247 0.000 2.020 290 K HA -0.307 4.013 4.320 -0.001 0.000 0.212 290 K C 2.237 178.734 176.600 -0.171 0.000 1.050 290 K CA 2.310 58.486 56.287 -0.184 0.000 0.929 290 K CB -0.521 31.918 32.500 -0.102 0.000 0.714 290 K HN 0.607 nan 8.250 nan 0.000 0.443 291 Q N -0.045 119.671 119.800 -0.139 0.000 2.083 291 Q HA -0.118 4.221 4.340 -0.001 0.000 0.198 291 Q C 1.987 177.866 176.000 -0.203 0.000 0.969 291 Q CA 1.432 57.148 55.803 -0.144 0.000 0.838 291 Q CB -0.329 28.346 28.738 -0.105 0.000 0.900 291 Q HN 0.433 nan 8.270 nan 0.000 0.436 292 A N 0.588 123.294 122.820 -0.189 0.000 1.852 292 A HA -0.248 4.071 4.320 -0.001 0.000 0.217 292 A C 2.271 179.673 177.584 -0.303 0.000 1.215 292 A CA 2.284 54.191 52.037 -0.217 0.000 0.641 292 A CB -1.387 17.565 19.000 -0.079 0.000 0.838 292 A HN 0.332 nan 8.150 nan 0.000 0.450 293 V N 0.804 120.545 119.914 -0.288 0.000 2.317 293 V HA -0.333 3.787 4.120 -0.001 0.000 0.251 293 V C 2.185 178.131 176.094 -0.248 0.000 1.065 293 V CA 2.456 64.583 62.300 -0.289 0.000 1.049 293 V CB -1.114 30.494 31.823 -0.358 0.000 0.651 293 V HN 0.538 nan 8.190 nan 0.000 0.450 294 D N -0.129 120.136 120.400 -0.226 0.000 2.149 294 D HA -0.139 4.501 4.640 -0.001 0.000 0.198 294 D C 2.026 178.191 176.300 -0.225 0.000 0.990 294 D CA 1.371 55.258 54.000 -0.189 0.000 0.839 294 D CB -0.227 40.478 40.800 -0.159 0.000 0.948 294 D HN 0.449 nan 8.370 nan 0.000 0.460 295 I N 0.728 121.102 120.570 -0.327 0.000 2.315 295 I HA -0.193 3.976 4.170 -0.001 0.000 0.248 295 I C 2.264 178.150 176.117 -0.385 0.000 1.117 295 I CA 0.624 61.662 61.300 -0.436 0.000 1.404 295 I CB -0.041 37.515 38.000 -0.739 0.000 1.071 295 I HN -0.033 nan 8.210 nan 0.000 0.419 296 I N -0.128 120.232 120.570 -0.350 0.000 2.493 296 I HA -0.246 3.924 4.170 -0.001 0.000 0.254 296 I C 2.654 178.721 176.117 -0.082 0.000 1.160 296 I CA 0.818 62.010 61.300 -0.180 0.000 1.445 296 I CB -0.579 37.334 38.000 -0.145 0.000 1.086 296 I HN 0.217 nan 8.210 nan 0.000 0.433 297 R N 1.480 121.919 120.500 -0.102 0.000 2.132 297 R HA -0.192 4.148 4.340 -0.001 0.000 0.233 297 R C -0.247 176.034 176.300 -0.031 0.000 1.125 297 R CA 2.598 58.661 56.100 -0.061 0.000 0.914 297 R CB -1.429 28.826 30.300 -0.075 0.000 0.845 297 R HN 0.262 nan 8.270 nan 0.000 0.431 298 P HA -0.133 nan 4.420 nan 0.000 0.219 298 P C 1.534 178.836 177.300 0.003 0.000 1.150 298 P CA 1.255 64.341 63.100 -0.024 0.000 0.814 298 P CB -0.119 31.555 31.700 -0.043 0.000 0.787 299 L N -0.692 120.532 121.223 0.003 0.000 2.046 299 L HA -0.142 4.198 4.340 -0.001 0.000 0.208 299 L C 3.044 179.976 176.870 0.104 0.000 1.077 299 L CA 1.534 56.410 54.840 0.060 0.000 0.747 299 L CB -0.577 41.528 42.059 0.076 0.000 0.896 299 L HN -0.033 nan 8.230 nan 0.000 0.432 300 R N 0.059 120.618 120.500 0.098 0.000 2.075 300 R HA -0.110 4.230 4.340 -0.001 0.000 0.226 300 R C 2.019 178.371 176.300 0.087 0.000 1.114 300 R CA 1.133 57.305 56.100 0.120 0.000 0.972 300 R CB -0.454 29.916 30.300 0.115 0.000 0.869 300 R HN 0.078 nan 8.270 nan 0.000 0.437 301 L N -0.175 121.083 121.223 0.057 0.000 2.275 301 L HA 0.117 4.457 4.340 -0.001 0.000 0.215 301 L C 1.772 178.667 176.870 0.041 0.000 1.119 301 L CA 2.019 56.884 54.840 0.042 0.000 0.790 301 L CB -0.614 41.459 42.059 0.022 0.000 0.919 301 L HN 0.422 nan 8.230 nan 0.000 0.443 302 G N -2.786 106.043 108.800 0.048 0.000 3.126 302 G HA2 0.126 4.086 3.960 -0.001 0.000 0.224 302 G HA3 0.126 4.086 3.960 -0.001 0.000 0.224 302 G C 0.776 175.713 174.900 0.062 0.000 1.142 302 G CA 0.077 45.204 45.100 0.045 0.000 0.759 302 G HN 0.298 nan 8.290 nan 0.000 0.550 303 M N -0.741 118.908 119.600 0.082 0.000 2.417 303 M HA -0.205 4.274 4.480 -0.001 0.000 0.205 303 M C 1.207 177.579 176.300 0.120 0.000 0.452 303 M CA 0.391 55.750 55.300 0.098 0.000 0.512 303 M CB -1.634 31.010 32.600 0.074 0.000 1.774 303 M HN 0.302 nan 8.290 nan 0.000 0.874 304 A N -0.545 122.362 122.820 0.144 0.000 2.167 304 A HA 0.478 4.798 4.320 -0.001 0.000 0.208 304 A C 0.702 178.437 177.584 0.253 0.000 1.198 304 A CA 0.111 52.252 52.037 0.172 0.000 0.863 304 A CB 0.679 19.765 19.000 0.143 0.000 0.904 304 A HN 0.474 nan 8.150 nan 0.000 0.484 305 L N 1.547 122.924 121.223 0.257 0.000 2.272 305 L HA 0.231 4.571 4.340 -0.001 0.000 0.284 305 L C 0.636 177.667 176.870 0.268 0.000 1.045 305 L CA -0.242 54.794 54.840 0.326 0.000 0.842 305 L CB 1.257 43.531 42.059 0.358 0.000 1.224 305 L HN 0.491 nan 8.230 nan 0.000 0.430 306 Q N 0.935 120.916 119.800 0.302 0.000 2.396 306 Q HA 0.021 4.361 4.340 -0.001 0.000 0.209 306 Q C 0.439 176.541 176.000 0.170 0.000 0.906 306 Q CA 0.193 56.131 55.803 0.226 0.000 0.927 306 Q CB 0.361 29.253 28.738 0.257 0.000 1.069 306 Q HN 0.708 nan 8.270 nan 0.000 0.523 307 N N -0.050 118.801 118.700 0.253 0.000 3.084 307 N HA 0.192 4.931 4.740 -0.001 0.000 0.336 307 N C -0.535 175.084 175.510 0.183 0.000 1.391 307 N CA -0.728 52.439 53.050 0.195 0.000 0.712 307 N CB 0.430 39.134 38.487 0.363 0.000 1.248 307 N HN -0.153 nan 8.380 nan 0.000 0.545 308 V N 1.165 121.196 119.914 0.197 0.000 2.266 308 V HA 0.431 4.551 4.120 -0.001 0.000 0.271 308 V C -2.465 173.781 176.094 0.253 0.000 1.032 308 V CA -1.266 61.154 62.300 0.199 0.000 0.806 308 V CB 0.481 32.373 31.823 0.115 0.000 1.052 308 V HN 0.560 nan 8.190 nan 0.000 0.449 309 P HA 0.321 nan 4.420 nan 0.000 0.275 309 P C -0.006 177.310 177.300 0.026 0.000 1.227 309 P CA 0.087 63.177 63.100 -0.016 0.000 0.781 309 P CB 0.761 32.420 31.700 -0.068 0.000 0.906 310 T N -0.061 114.433 114.554 -0.100 0.000 2.888 310 T HA 0.649 4.999 4.350 -0.001 0.000 0.284 310 T C -0.001 174.794 174.700 0.159 0.000 1.017 310 T CA -0.848 61.264 62.100 0.020 0.000 1.022 310 T CB 0.504 69.259 68.868 -0.189 0.000 1.013 310 T HN 0.137 nan 8.240 nan 0.000 0.465 311 I N 2.892 123.670 120.570 0.347 0.000 2.307 311 I HA 0.336 4.506 4.170 -0.001 0.000 0.287 311 I C 0.682 177.077 176.117 0.464 0.000 1.054 311 I CA -0.735 60.867 61.300 0.504 0.000 1.218 311 I CB 0.488 38.801 38.000 0.522 0.000 1.398 311 I HN 0.456 nan 8.210 nan 0.000 0.475 312 R N 3.908 124.622 120.500 0.357 0.000 2.457 312 R HA 0.347 4.687 4.340 -0.001 0.000 0.284 312 R C 0.271 176.691 176.300 0.201 0.000 1.024 312 R CA -0.769 55.449 56.100 0.197 0.000 1.025 312 R CB 1.066 31.329 30.300 -0.063 0.000 1.063 312 R HN 0.524 nan 8.270 nan 0.000 0.493 313 H N 2.403 121.395 119.070 -0.131 0.000 2.660 313 H HA 0.009 4.564 4.556 -0.001 0.000 0.374 313 H C 0.805 175.880 175.328 -0.421 0.000 1.291 313 H CA -0.058 55.641 56.048 -0.581 0.000 1.437 313 H CB 1.091 30.535 29.762 -0.530 0.000 1.509 313 H HN 0.438 nan 8.280 nan 0.000 0.614 314 I N 2.813 122.765 120.570 -1.031 0.000 2.406 314 I HA -0.170 3.999 4.170 -0.001 0.000 0.249 314 I C 2.263 178.135 176.117 -0.408 0.000 1.122 314 I CA 0.855 61.806 61.300 -0.583 0.000 1.431 314 I CB -0.591 37.062 38.000 -0.578 0.000 1.087 314 I HN 0.623 nan 8.210 nan 0.000 0.424 315 L N -0.012 121.033 121.223 -0.297 0.000 2.275 315 L HA -0.199 4.141 4.340 -0.001 0.000 0.215 315 L C 2.426 179.008 176.870 -0.480 0.000 1.119 315 L CA 0.543 55.137 54.840 -0.410 0.000 0.790 315 L CB -0.528 41.256 42.059 -0.459 0.000 0.919 315 L HN 0.253 nan 8.230 nan 0.000 0.443 316 L N -0.295 120.708 121.223 -0.367 0.000 2.046 316 L HA -0.209 4.131 4.340 -0.001 0.000 0.208 316 L C 2.052 178.729 176.870 -0.321 0.000 1.077 316 L CA 1.872 56.433 54.840 -0.465 0.000 0.747 316 L CB -0.490 41.279 42.059 -0.483 0.000 0.896 316 L HN 0.183 nan 8.230 nan 0.000 0.432 317 D N -0.420 119.838 120.400 -0.237 0.000 2.103 317 D HA -0.081 4.559 4.640 -0.001 0.000 0.199 317 D C 2.192 178.440 176.300 -0.086 0.000 0.978 317 D CA 1.374 55.298 54.000 -0.127 0.000 0.829 317 D CB -0.061 40.700 40.800 -0.065 0.000 0.981 317 D HN 0.454 nan 8.370 nan 0.000 0.464 318 A N 1.292 124.009 122.820 -0.172 0.000 1.908 318 A HA -0.148 4.172 4.320 -0.001 0.000 0.218 318 A C 2.306 179.945 177.584 0.091 0.000 1.181 318 A CA 2.436 54.386 52.037 -0.144 0.000 0.627 318 A CB -0.704 17.963 19.000 -0.554 0.000 0.818 318 A HN 0.248 nan 8.150 nan 0.000 0.445 319 A N -0.809 121.992 122.820 -0.032 0.000 2.015 319 A HA 0.100 4.420 4.320 -0.001 0.000 0.219 319 A C 2.179 179.937 177.584 0.289 0.000 1.163 319 A CA 1.528 53.696 52.037 0.219 0.000 0.646 319 A CB -0.711 18.255 19.000 -0.057 0.000 0.806 319 A HN 0.361 nan 8.150 nan 0.000 0.448 320 V N 0.264 120.294 119.914 0.194 0.000 2.295 320 V HA -0.256 3.863 4.120 -0.001 0.000 0.246 320 V C 2.550 178.750 176.094 0.176 0.000 1.049 320 V CA 1.956 64.377 62.300 0.202 0.000 1.024 320 V CB -0.732 31.177 31.823 0.144 0.000 0.648 320 V HN 0.586 nan 8.190 nan 0.000 0.447 321 L N -0.558 120.777 121.223 0.186 0.000 2.046 321 L HA 0.119 4.459 4.340 -0.001 0.000 0.208 321 L C 1.116 178.104 176.870 0.196 0.000 1.077 321 L CA 1.450 56.398 54.840 0.180 0.000 0.747 321 L CB -0.643 41.542 42.059 0.210 0.000 0.896 321 L HN 0.541 nan 8.230 nan 0.000 0.432 322 G N -0.980 108.021 108.800 0.336 0.000 2.677 322 G HA2 0.371 4.331 3.960 -0.001 0.000 0.291 322 G HA3 0.371 4.331 3.960 -0.001 0.000 0.291 322 G C -1.855 173.298 174.900 0.421 0.000 1.435 322 G CA -0.515 44.739 45.100 0.256 0.000 0.826 322 G HN 0.079 nan 8.290 nan 0.000 0.491 323 D N -0.427 120.103 120.400 0.215 0.000 2.371 323 D HA 0.120 4.759 4.640 -0.001 0.000 0.242 323 D C 1.276 177.585 176.300 0.015 0.000 1.218 323 D CA -0.570 53.530 54.000 0.167 0.000 0.945 323 D CB 1.313 42.123 40.800 0.017 0.000 1.137 323 D HN 0.437 nan 8.370 nan 0.000 0.464 324 K N -0.041 120.012 120.400 -0.578 0.000 2.097 324 K HA -0.151 4.168 4.320 -0.001 0.000 0.206 324 K C 2.018 178.406 176.600 -0.352 0.000 1.049 324 K CA 0.721 56.393 56.287 -1.024 0.000 0.933 324 K CB 0.002 31.317 32.500 -1.975 0.000 0.717 324 K HN 0.330 nan 8.250 nan 0.000 0.442 325 R N 0.369 120.711 120.500 -0.264 0.000 2.133 325 R HA -0.146 4.194 4.340 -0.001 0.000 0.247 325 R C 2.452 178.685 176.300 -0.112 0.000 1.151 325 R CA 1.961 57.968 56.100 -0.154 0.000 0.971 325 R CB -0.336 29.890 30.300 -0.124 0.000 0.866 325 R HN 0.340 nan 8.270 nan 0.000 0.447 326 S N -0.695 114.928 115.700 -0.129 0.000 2.474 326 S HA -0.125 4.345 4.470 -0.001 0.000 0.235 326 S C 1.358 175.804 174.600 -0.257 0.000 0.997 326 S CA 0.817 58.894 58.200 -0.205 0.000 0.949 326 S CB -0.092 62.937 63.200 -0.285 0.000 0.766 326 S HN 0.407 nan 8.310 nan 0.000 0.517 327 Y N 0.575 120.860 120.300 -0.025 0.000 2.483 327 Y HA 0.538 5.088 4.550 -0.001 0.000 0.258 327 Y C 1.173 177.074 175.900 0.002 0.000 1.083 327 Y CA -0.018 58.098 58.100 0.026 0.000 1.283 327 Y CB 0.481 39.011 38.460 0.116 0.000 1.178 327 Y HN 0.354 nan 8.280 nan 0.000 0.515 328 S N -1.641 114.112 115.700 0.087 0.000 2.552 328 S HA 0.340 4.810 4.470 -0.001 0.000 0.272 328 S C 0.018 174.602 174.600 -0.028 0.000 1.150 328 S CA -0.443 57.778 58.200 0.036 0.000 0.849 328 S CB 1.365 64.599 63.200 0.056 0.000 1.113 328 S HN -0.102 nan 8.310 nan 0.000 0.458 329 S N 0.958 116.646 115.700 -0.021 0.000 2.540 329 S HA 0.283 4.752 4.470 -0.001 0.000 0.218 329 S C 0.733 175.312 174.600 -0.035 0.000 0.977 329 S CA -0.217 57.960 58.200 -0.038 0.000 0.918 329 S CB -0.168 63.016 63.200 -0.028 0.000 0.806 329 S HN 0.610 nan 8.310 nan 0.000 0.496 330 R N 0.727 121.215 120.500 -0.020 0.000 2.623 330 R HA 0.107 4.447 4.340 -0.001 0.000 0.271 330 R C 0.815 177.102 176.300 -0.022 0.000 1.043 330 R CA 0.639 56.734 56.100 -0.008 0.000 1.083 330 R CB 0.495 30.803 30.300 0.014 0.000 0.974 330 R HN 0.057 nan 8.270 nan 0.000 0.436 331 T N 2.175 116.722 114.554 -0.011 0.000 3.033 331 T HA 0.050 4.400 4.350 -0.001 0.000 0.248 331 T C -0.024 174.685 174.700 0.015 0.000 1.040 331 T CA 0.374 62.467 62.100 -0.012 0.000 1.133 331 T CB 0.168 69.029 68.868 -0.010 0.000 0.895 331 T HN 0.488 nan 8.240 nan 0.000 0.465 332 E N 1.923 122.139 120.200 0.028 0.000 2.392 332 E HA 0.196 4.546 4.350 -0.001 0.000 0.256 332 E C -2.419 174.225 176.600 0.074 0.000 1.145 332 E CA -2.023 54.406 56.400 0.048 0.000 0.929 332 E CB 0.062 29.786 29.700 0.040 0.000 0.998 332 E HN 0.142 nan 8.360 nan 0.000 0.442 333 P HA -0.064 nan 4.420 nan 0.000 0.266 333 P C 0.130 177.506 177.300 0.126 0.000 1.186 333 P CA 0.464 63.646 63.100 0.136 0.000 0.767 333 P CB 0.350 32.126 31.700 0.127 0.000 0.820 334 L N 0.897 122.217 121.223 0.162 0.000 2.461 334 L HA 0.105 4.445 4.340 -0.001 0.000 0.259 334 L C 1.424 178.359 176.870 0.108 0.000 1.248 334 L CA 0.213 55.135 54.840 0.137 0.000 0.823 334 L CB -0.168 41.995 42.059 0.173 0.000 1.111 334 L HN 0.503 nan 8.230 nan 0.000 0.516 335 S N -1.602 114.151 115.700 0.089 0.000 2.738 335 S HA 0.152 4.622 4.470 -0.001 0.000 0.284 335 S C 0.413 175.058 174.600 0.074 0.000 1.146 335 S CA -0.563 57.682 58.200 0.074 0.000 0.997 335 S CB 1.529 64.764 63.200 0.059 0.000 1.081 335 S HN 0.646 nan 8.310 nan 0.000 0.553 336 D N 0.371 120.811 120.400 0.066 0.000 2.097 336 D HA -0.054 4.586 4.640 -0.001 0.000 0.195 336 D C 1.643 177.973 176.300 0.051 0.000 0.989 336 D CA 1.515 55.554 54.000 0.064 0.000 0.827 336 D CB -0.067 40.770 40.800 0.061 0.000 0.966 336 D HN 0.666 nan 8.370 nan 0.000 0.456 337 E N 0.432 120.661 120.200 0.047 0.000 2.110 337 E HA -0.144 4.206 4.350 -0.001 0.000 0.193 337 E C 1.947 178.572 176.600 0.042 0.000 0.988 337 E CA 0.909 57.334 56.400 0.041 0.000 0.804 337 E CB -0.155 29.569 29.700 0.039 0.000 0.745 337 E HN 0.441 nan 8.360 nan 0.000 0.458 338 E N 0.201 120.431 120.200 0.050 0.000 2.107 338 E HA -0.072 4.278 4.350 -0.001 0.000 0.191 338 E C 2.060 178.684 176.600 0.041 0.000 0.982 338 E CA 0.523 56.957 56.400 0.056 0.000 0.809 338 E CB -0.108 29.636 29.700 0.073 0.000 0.756 338 E HN 0.176 nan 8.360 nan 0.000 0.459 339 L N 1.373 122.617 121.223 0.034 0.000 2.012 339 L HA -0.239 4.101 4.340 -0.001 0.000 0.210 339 L C 1.986 178.838 176.870 -0.030 0.000 1.073 339 L CA 1.070 55.904 54.840 -0.010 0.000 0.748 339 L CB -0.437 41.618 42.059 -0.006 0.000 0.891 339 L HN 0.136 nan 8.230 nan 0.000 0.431 340 D N 0.286 120.684 120.400 -0.005 0.000 2.104 340 D HA -0.194 4.446 4.640 -0.001 0.000 0.194 340 D C 2.189 178.492 176.300 0.005 0.000 0.994 340 D CA 1.350 55.348 54.000 -0.003 0.000 0.830 340 D CB -0.092 40.718 40.800 0.016 0.000 0.959 340 D HN 0.276 nan 8.370 nan 0.000 0.452 341 K N 0.120 120.534 120.400 0.022 0.000 2.097 341 K HA -0.046 4.274 4.320 -0.001 0.000 0.206 341 K C 2.256 178.884 176.600 0.046 0.000 1.049 341 K CA 0.633 56.943 56.287 0.038 0.000 0.933 341 K CB 0.020 32.551 32.500 0.052 0.000 0.717 341 K HN 0.184 nan 8.250 nan 0.000 0.442 342 I N 0.375 120.965 120.570 0.033 0.000 2.406 342 I HA -0.190 3.980 4.170 -0.001 0.000 0.249 342 I C 2.408 178.519 176.117 -0.010 0.000 1.122 342 I CA 0.667 61.986 61.300 0.032 0.000 1.431 342 I CB -0.291 37.658 38.000 -0.084 0.000 1.087 342 I HN 0.128 nan 8.210 nan 0.000 0.424 343 A N 2.138 124.928 122.820 -0.050 0.000 1.858 343 A HA -0.269 4.051 4.320 -0.001 0.000 0.216 343 A C 2.382 179.956 177.584 -0.017 0.000 1.190 343 A CA 2.253 54.254 52.037 -0.060 0.000 0.617 343 A CB -0.728 18.223 19.000 -0.082 0.000 0.827 343 A HN 0.496 nan 8.150 nan 0.000 0.443 344 K N -0.288 120.113 120.400 0.002 0.000 2.113 344 K HA -0.280 4.039 4.320 -0.001 0.000 0.208 344 K C 1.874 178.492 176.600 0.028 0.000 1.047 344 K CA 1.935 58.233 56.287 0.018 0.000 0.928 344 K CB -0.466 32.048 32.500 0.025 0.000 0.716 344 K HN 0.620 nan 8.250 nan 0.000 0.446 345 Q N 0.522 120.350 119.800 0.046 0.000 2.124 345 Q HA -0.075 4.264 4.340 -0.001 0.000 0.202 345 Q C 1.979 178.013 176.000 0.057 0.000 0.977 345 Q CA 1.651 57.494 55.803 0.067 0.000 0.850 345 Q CB -0.093 28.720 28.738 0.124 0.000 0.901 345 Q HN 0.477 nan 8.270 nan 0.000 0.429 346 L N -0.909 120.340 121.223 0.044 0.000 2.640 346 L HA 0.212 4.551 4.340 -0.001 0.000 0.230 346 L C 0.220 177.069 176.870 -0.035 0.000 1.123 346 L CA -0.302 54.553 54.840 0.024 0.000 0.900 346 L CB 0.086 42.171 42.059 0.044 0.000 1.146 346 L HN 0.145 nan 8.230 nan 0.000 0.484 347 N N 1.077 119.757 118.700 -0.033 0.000 2.815 347 N HA -0.125 4.615 4.740 -0.001 0.000 0.249 347 N C -0.460 174.973 175.510 -0.128 0.000 1.114 347 N CA 0.646 53.658 53.050 -0.064 0.000 0.717 347 N CB -1.012 37.420 38.487 -0.093 0.000 1.074 347 N HN 0.313 nan 8.380 nan 0.000 0.555 348 L N -0.608 120.566 121.223 -0.082 0.000 2.313 348 L HA 0.753 5.092 4.340 -0.001 0.000 0.268 348 L C 1.523 178.369 176.870 -0.040 0.000 1.010 348 L CA -0.658 54.133 54.840 -0.081 0.000 0.814 348 L CB 1.469 43.484 42.059 -0.073 0.000 1.304 348 L HN 0.002 nan 8.230 nan 0.000 0.441 349 G N -0.491 108.298 108.800 -0.019 0.000 2.606 349 G HA2 0.267 4.227 3.960 -0.001 0.000 0.262 349 G HA3 0.267 4.227 3.960 -0.001 0.000 0.262 349 G C 0.494 175.354 174.900 -0.066 0.000 1.394 349 G CA -0.411 44.686 45.100 -0.005 0.000 1.044 349 G HN 0.513 nan 8.290 nan 0.000 0.553 350 R N -1.518 118.951 120.500 -0.052 0.000 2.153 350 R HA 0.054 4.394 4.340 -0.001 0.000 0.218 350 R C -0.394 175.631 176.300 -0.459 0.000 1.072 350 R CA 0.523 56.491 56.100 -0.221 0.000 0.990 350 R CB 0.049 30.294 30.300 -0.092 0.000 0.889 350 R HN 0.480 nan 8.270 nan 0.000 0.452 351 W N -0.066 121.207 121.300 -0.044 0.000 2.950 351 W HA 0.315 4.975 4.660 -0.001 0.000 0.340 351 W C -0.884 175.675 176.519 0.066 0.000 1.139 351 W CA -0.729 56.620 57.345 0.006 0.000 1.188 351 W CB 1.306 30.797 29.460 0.051 0.000 1.426 351 W HN -0.186 nan 8.180 nan 0.000 0.531 352 N N 1.848 120.763 118.700 0.359 0.000 2.371 352 N HA 0.368 5.108 4.740 -0.001 0.000 0.291 352 N C -1.769 173.985 175.510 0.406 0.000 1.053 352 N CA -0.602 52.618 53.050 0.283 0.000 0.870 352 N CB 1.550 40.152 38.487 0.193 0.000 1.503 352 N HN 0.254 nan 8.380 nan 0.000 0.485 353 F N 2.674 122.686 119.950 0.104 0.000 2.408 353 F HA 0.502 5.029 4.527 -0.001 0.000 0.344 353 F C -1.165 174.625 175.800 -0.018 0.000 1.112 353 F CA -0.497 57.584 58.000 0.136 0.000 1.096 353 F CB 0.417 39.461 39.000 0.073 0.000 1.129 353 F HN 0.399 nan 8.300 nan 0.000 0.486 354 Y N 4.319 124.206 120.300 -0.688 0.000 2.328 354 Y HA 0.652 5.202 4.550 -0.001 0.000 0.336 354 Y C 0.431 175.757 175.900 -0.957 0.000 0.960 354 Y CA -0.894 56.824 58.100 -0.636 0.000 1.134 354 Y CB 1.651 39.876 38.460 -0.392 0.000 1.166 354 Y HN 0.770 nan 8.280 nan 0.000 0.464 355 G N 0.734 108.832 108.800 -1.170 0.000 2.949 355 G HA2 0.861 4.821 3.960 -0.001 0.000 0.285 355 G HA3 0.861 4.821 3.960 -0.001 0.000 0.285 355 G C -1.781 172.468 174.900 -1.085 0.000 1.395 355 G CA -0.915 43.514 45.100 -1.120 0.000 0.901 355 G HN 0.767 nan 8.290 nan 0.000 0.519 356 A N -0.542 122.025 122.820 -0.422 0.000 2.517 356 A HA 0.699 5.019 4.320 -0.001 0.000 0.297 356 A C -1.104 176.386 177.584 -0.156 0.000 1.050 356 A CA -0.525 51.291 52.037 -0.369 0.000 0.694 356 A CB 1.093 19.880 19.000 -0.355 0.000 1.277 356 A HN 0.736 nan 8.150 nan 0.000 0.400 357 L N 1.577 122.634 121.223 -0.276 0.000 2.309 357 L HA 0.614 4.954 4.340 -0.001 0.000 0.282 357 L C -1.226 175.474 176.870 -0.284 0.000 1.036 357 L CA -0.604 54.178 54.840 -0.096 0.000 0.806 357 L CB 0.978 42.980 42.059 -0.094 0.000 1.220 357 L HN 0.696 nan 8.230 nan 0.000 0.429 358 Y N 1.046 121.420 120.300 0.123 0.000 2.350 358 Y HA 0.776 5.325 4.550 -0.001 0.000 0.338 358 Y C 0.660 176.591 175.900 0.051 0.000 0.961 358 Y CA -0.585 57.591 58.100 0.126 0.000 1.100 358 Y CB 2.187 40.714 38.460 0.111 0.000 1.179 358 Y HN 0.786 nan 8.280 nan 0.000 0.454 359 G N 2.939 111.827 108.800 0.147 0.000 2.355 359 G HA2 0.032 3.992 3.960 -0.001 0.000 0.619 359 G HA3 0.032 3.992 3.960 -0.001 0.000 0.619 359 G C -3.369 171.559 174.900 0.047 0.000 1.337 359 G CA -1.558 43.587 45.100 0.076 0.000 0.993 359 G HN 0.307 nan 8.290 nan 0.000 0.599 360 P HA 0.065 nan 4.420 nan 0.000 0.264 360 P C 0.942 178.258 177.300 0.027 0.000 1.173 360 P CA 0.264 63.379 63.100 0.025 0.000 0.761 360 P CB 0.697 32.409 31.700 0.020 0.000 0.794 361 E N 5.883 126.097 120.200 0.022 0.000 2.038 361 E HA -0.189 4.161 4.350 -0.001 0.000 0.195 361 E C -0.874 175.744 176.600 0.029 0.000 1.000 361 E CA 2.223 58.636 56.400 0.021 0.000 0.803 361 E CB -1.789 27.922 29.700 0.019 0.000 0.750 361 E HN 0.324 nan 8.360 nan 0.000 0.448 362 P HA -0.202 nan 4.420 nan 0.000 0.216 362 P C 1.918 179.240 177.300 0.037 0.000 1.167 362 P CA 1.562 64.679 63.100 0.029 0.000 0.914 362 P CB -0.344 31.370 31.700 0.023 0.000 0.793 363 I N -0.966 119.627 120.570 0.040 0.000 2.127 363 I HA -0.253 3.917 4.170 -0.001 0.000 0.241 363 I C 2.910 179.068 176.117 0.068 0.000 1.075 363 I CA 1.559 62.890 61.300 0.052 0.000 1.334 363 I CB -0.517 37.515 38.000 0.053 0.000 1.040 363 I HN -0.138 nan 8.210 nan 0.000 0.405 364 R N -0.007 120.530 120.500 0.062 0.000 2.113 364 R HA -0.251 4.089 4.340 -0.001 0.000 0.244 364 R C 2.614 178.976 176.300 0.102 0.000 1.142 364 R CA 2.046 58.184 56.100 0.063 0.000 0.953 364 R CB -0.542 29.759 30.300 0.003 0.000 0.860 364 R HN 0.203 nan 8.270 nan 0.000 0.438 365 R N 0.434 120.987 120.500 0.089 0.000 2.094 365 R HA -0.128 4.212 4.340 -0.001 0.000 0.239 365 R C 2.286 178.650 176.300 0.107 0.000 1.137 365 R CA 1.899 58.066 56.100 0.111 0.000 0.943 365 R CB -1.138 29.205 30.300 0.071 0.000 0.850 365 R HN 0.264 nan 8.270 nan 0.000 0.433 366 V N 1.315 121.273 119.914 0.074 0.000 2.295 366 V HA -0.187 3.933 4.120 -0.001 0.000 0.246 366 V C 2.589 178.720 176.094 0.062 0.000 1.049 366 V CA 2.307 64.638 62.300 0.051 0.000 1.024 366 V CB -0.650 31.197 31.823 0.040 0.000 0.648 366 V HN 0.394 nan 8.190 nan 0.000 0.447 367 L N -1.017 120.268 121.223 0.103 0.000 1.970 367 L HA -0.253 4.086 4.340 -0.001 0.000 0.212 367 L C 2.471 179.432 176.870 0.152 0.000 1.071 367 L CA 2.447 57.366 54.840 0.131 0.000 0.751 367 L CB -0.756 41.404 42.059 0.169 0.000 0.889 367 L HN 0.527 nan 8.230 nan 0.000 0.432 368 W N 1.685 122.953 121.300 -0.052 0.000 2.304 368 W HA -0.287 4.372 4.660 -0.001 0.000 0.315 368 W C 2.277 178.714 176.519 -0.137 0.000 1.233 368 W CA 1.950 59.216 57.345 -0.130 0.000 1.261 368 W CB -0.038 29.343 29.460 -0.130 0.000 1.150 368 W HN 0.267 nan 8.180 nan 0.000 0.494 369 E N -0.604 119.459 120.200 -0.227 0.000 2.085 369 E HA -0.220 4.129 4.350 -0.001 0.000 0.194 369 E C 2.062 178.488 176.600 -0.289 0.000 0.994 369 E CA 2.357 58.559 56.400 -0.331 0.000 0.801 369 E CB -0.399 29.216 29.700 -0.141 0.000 0.743 369 E HN 0.196 nan 8.360 nan 0.000 0.453 370 T N 1.178 115.642 114.554 -0.151 0.000 2.708 370 T HA -0.134 4.216 4.350 -0.001 0.000 0.266 370 T C 1.966 176.603 174.700 -0.106 0.000 1.037 370 T CA 1.043 63.087 62.100 -0.095 0.000 1.146 370 T CB -0.189 68.668 68.868 -0.019 0.000 0.865 370 T HN 0.130 nan 8.240 nan 0.000 0.435 371 I N 0.805 121.310 120.570 -0.108 0.000 2.142 371 I HA -0.179 3.991 4.170 -0.001 0.000 0.240 371 I C 2.662 178.722 176.117 -0.095 0.000 1.078 371 I CA 1.352 62.651 61.300 -0.002 0.000 1.343 371 I CB -0.428 37.620 38.000 0.080 0.000 1.046 371 I HN 0.179 nan 8.210 nan 0.000 0.405 372 K N 0.997 121.008 120.400 -0.648 0.000 2.044 372 K HA -0.297 4.023 4.320 -0.001 0.000 0.210 372 K C 1.799 178.229 176.600 -0.282 0.000 1.049 372 K CA 2.386 58.137 56.287 -0.895 0.000 0.927 372 K CB -0.162 31.433 32.500 -1.508 0.000 0.713 372 K HN 0.187 nan 8.250 nan 0.000 0.443 373 D N -0.549 119.696 120.400 -0.258 0.000 2.144 373 D HA -0.098 4.542 4.640 -0.001 0.000 0.199 373 D C 1.623 177.901 176.300 -0.038 0.000 0.984 373 D CA 1.288 55.215 54.000 -0.121 0.000 0.834 373 D CB -0.007 40.714 40.800 -0.131 0.000 0.955 373 D HN 0.348 nan 8.370 nan 0.000 0.465 374 A N -0.483 122.318 122.820 -0.032 0.000 1.877 374 A HA -0.124 4.196 4.320 -0.001 0.000 0.216 374 A C 1.992 179.515 177.584 -0.101 0.000 1.186 374 A CA 1.057 53.039 52.037 -0.091 0.000 0.620 374 A CB -1.114 17.795 19.000 -0.152 0.000 0.822 374 A HN 0.326 nan 8.150 nan 0.000 0.443 375 F N 0.794 120.743 119.950 -0.003 0.000 2.502 375 F HA -0.042 4.485 4.527 -0.001 0.000 0.298 375 F C 2.517 178.339 175.800 0.037 0.000 1.111 375 F CA 1.100 59.111 58.000 0.018 0.000 1.445 375 F CB -0.076 38.974 39.000 0.083 0.000 1.081 375 F HN 0.115 nan 8.300 nan 0.000 0.558 376 S N 0.028 115.882 115.700 0.256 0.000 2.442 376 S HA -0.168 4.302 4.470 -0.001 0.000 0.236 376 S C 2.274 176.909 174.600 0.059 0.000 1.007 376 S CA 0.837 59.136 58.200 0.164 0.000 0.965 376 S CB -0.489 62.778 63.200 0.112 0.000 0.773 376 S HN 0.374 nan 8.310 nan 0.000 0.504 377 A N 0.790 123.619 122.820 0.016 0.000 2.259 377 A HA 0.116 4.435 4.320 -0.001 0.000 0.212 377 A C 0.744 178.317 177.584 -0.019 0.000 1.178 377 A CA 0.572 52.596 52.037 -0.021 0.000 0.734 377 A CB -0.535 18.425 19.000 -0.067 0.000 0.774 377 A HN 0.485 nan 8.150 nan 0.000 0.481 378 I N 1.302 121.874 120.570 0.003 0.000 2.330 378 I HA 0.247 4.416 4.170 -0.001 0.000 0.289 378 I C -2.439 173.682 176.117 0.007 0.000 1.001 378 I CA -2.455 58.847 61.300 0.004 0.000 1.193 378 I CB 1.498 39.516 38.000 0.029 0.000 1.345 378 I HN -0.048 nan 8.210 nan 0.000 0.461 379 P HA 0.027 nan 4.420 nan 0.000 0.262 379 P C 0.925 178.228 177.300 0.005 0.000 1.182 379 P CA 0.665 63.769 63.100 0.006 0.000 0.761 379 P CB 0.584 32.288 31.700 0.008 0.000 0.795 380 G N 1.603 110.402 108.800 -0.003 0.000 2.179 380 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.260 380 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.260 380 G C 0.235 175.114 174.900 -0.034 0.000 0.977 380 G CA 0.047 45.142 45.100 -0.008 0.000 0.641 380 G HN 0.700 nan 8.290 nan 0.000 0.533 381 V N 0.936 120.808 119.914 -0.069 0.000 2.788 381 V HA 0.453 4.573 4.120 -0.001 0.000 0.307 381 V C 0.312 176.233 176.094 -0.288 0.000 1.069 381 V CA 0.540 62.740 62.300 -0.167 0.000 1.173 381 V CB 0.910 32.615 31.823 -0.198 0.000 0.925 381 V HN 0.300 nan 8.190 nan 0.000 0.492 382 K N 6.200 126.397 120.400 -0.339 0.000 2.507 382 K HA 0.415 4.735 4.320 -0.001 0.000 0.251 382 K C -1.543 174.713 176.600 -0.573 0.000 0.943 382 K CA -0.302 55.742 56.287 -0.406 0.000 0.794 382 K CB 2.047 34.423 32.500 -0.206 0.000 1.188 382 K HN 0.554 nan 8.250 nan 0.000 0.428 383 F N 2.482 122.246 119.950 -0.311 0.000 2.410 383 F HA 0.369 4.896 4.527 -0.001 0.000 0.349 383 F C -0.204 175.399 175.800 -0.328 0.000 1.117 383 F CA -0.589 57.336 58.000 -0.126 0.000 1.104 383 F CB 0.591 39.646 39.000 0.092 0.000 1.122 383 F HN 0.327 nan 8.300 nan 0.000 0.483 384 Y N 2.951 123.397 120.300 0.243 0.000 2.391 384 Y HA 0.548 5.098 4.550 -0.001 0.000 0.341 384 Y C -0.526 175.505 175.900 0.219 0.000 0.965 384 Y CA -1.375 56.790 58.100 0.108 0.000 1.067 384 Y CB 1.133 39.622 38.460 0.048 0.000 1.199 384 Y HN 0.311 nan 8.280 nan 0.000 0.450 385 F N 2.593 122.627 119.950 0.140 0.000 2.364 385 F HA 0.435 4.961 4.527 -0.001 0.000 0.316 385 F C -1.283 174.540 175.800 0.038 0.000 1.133 385 F CA -3.027 54.986 58.000 0.022 0.000 1.051 385 F CB -0.159 38.800 39.000 -0.069 0.000 1.342 385 F HN 0.249 nan 8.300 nan 0.000 0.507 386 P HA -0.182 nan 4.420 nan 0.000 0.213 386 P C 1.374 178.738 177.300 0.105 0.000 1.170 386 P CA 1.867 65.029 63.100 0.104 0.000 0.902 386 P CB 0.171 31.904 31.700 0.054 0.000 0.789 387 E N -0.180 120.089 120.200 0.115 0.000 2.197 387 E HA -0.214 4.135 4.350 -0.001 0.000 0.205 387 E C 1.157 177.805 176.600 0.081 0.000 1.029 387 E CA 1.370 57.823 56.400 0.090 0.000 0.828 387 E CB -1.065 28.693 29.700 0.097 0.000 0.737 387 E HN 0.389 nan 8.360 nan 0.000 0.464 388 D N 0.221 120.684 120.400 0.105 0.000 2.336 388 D HA 0.002 4.641 4.640 -0.001 0.000 0.229 388 D C 0.451 176.826 176.300 0.125 0.000 1.061 388 D CA 0.369 54.443 54.000 0.123 0.000 0.875 388 D CB 0.112 41.016 40.800 0.172 0.000 0.904 388 D HN 0.199 nan 8.370 nan 0.000 0.525 389 T N -2.691 111.905 114.554 0.071 0.000 2.916 389 T HA 0.570 4.919 4.350 -0.001 0.000 0.292 389 T C -2.827 171.881 174.700 0.013 0.000 1.064 389 T CA -2.222 59.883 62.100 0.009 0.000 1.011 389 T CB 2.161 71.006 68.868 -0.037 0.000 1.152 389 T HN -0.345 nan 8.240 nan 0.000 0.510 390 P HA 0.051 nan 4.420 nan 0.000 0.270 390 P C 1.000 178.310 177.300 0.017 0.000 1.216 390 P CA -0.155 62.950 63.100 0.010 0.000 0.788 390 P CB 0.448 32.150 31.700 0.005 0.000 0.883 391 E N 1.428 121.639 120.200 0.019 0.000 2.118 391 E HA -0.245 4.105 4.350 -0.001 0.000 0.195 391 E C 0.976 177.590 176.600 0.023 0.000 0.992 391 E CA 1.408 57.821 56.400 0.021 0.000 0.804 391 E CB -0.178 29.533 29.700 0.019 0.000 0.741 391 E HN 0.451 nan 8.360 nan 0.000 0.458 392 N N 0.499 119.213 118.700 0.023 0.000 2.270 392 N HA -0.065 4.675 4.740 -0.001 0.000 0.198 392 N C -0.044 175.485 175.510 0.031 0.000 1.117 392 N CA 0.196 53.262 53.050 0.028 0.000 0.845 392 N CB -0.076 38.428 38.487 0.029 0.000 0.980 392 N HN -0.065 nan 8.380 nan 0.000 0.486 393 S N -0.928 114.788 115.700 0.026 0.000 2.584 393 S HA 0.132 4.602 4.470 -0.001 0.000 0.270 393 S C 1.403 176.029 174.600 0.044 0.000 1.346 393 S CA -0.621 57.596 58.200 0.028 0.000 1.018 393 S CB 1.238 64.443 63.200 0.008 0.000 0.899 393 S HN -0.079 nan 8.310 nan 0.000 0.542 394 V N 1.944 121.897 119.914 0.065 0.000 2.427 394 V HA -0.105 4.015 4.120 -0.001 0.000 0.248 394 V C 2.321 178.491 176.094 0.125 0.000 1.051 394 V CA 1.582 63.923 62.300 0.069 0.000 1.048 394 V CB -0.957 30.894 31.823 0.047 0.000 0.666 394 V HN 0.843 nan 8.190 nan 0.000 0.456 395 L N 0.780 122.119 121.223 0.194 0.000 1.990 395 L HA -0.200 4.140 4.340 -0.001 0.000 0.213 395 L C 2.637 179.554 176.870 0.079 0.000 1.072 395 L CA 2.014 56.956 54.840 0.169 0.000 0.755 395 L CB -0.932 41.169 42.059 0.071 0.000 0.889 395 L HN 0.286 nan 8.230 nan 0.000 0.432 396 R N -1.419 119.112 120.500 0.052 0.000 2.105 396 R HA -0.136 4.204 4.340 -0.001 0.000 0.239 396 R C 2.111 178.422 176.300 0.018 0.000 1.135 396 R CA 1.448 57.568 56.100 0.032 0.000 0.967 396 R CB -0.810 29.508 30.300 0.029 0.000 0.861 396 R HN 0.327 nan 8.270 nan 0.000 0.442 397 V N 1.435 121.357 119.914 0.013 0.000 2.244 397 V HA -0.222 3.897 4.120 -0.001 0.000 0.244 397 V C 2.426 178.503 176.094 -0.029 0.000 1.042 397 V CA 1.671 63.963 62.300 -0.012 0.000 1.006 397 V CB -0.465 31.349 31.823 -0.016 0.000 0.641 397 V HN 0.310 nan 8.190 nan 0.000 0.446 398 R N 0.122 120.603 120.500 -0.032 0.000 2.105 398 R HA -0.246 4.094 4.340 -0.001 0.000 0.239 398 R C 2.033 178.337 176.300 0.006 0.000 1.135 398 R CA 1.939 58.011 56.100 -0.046 0.000 0.967 398 R CB -0.753 29.493 30.300 -0.089 0.000 0.861 398 R HN 0.638 nan 8.270 nan 0.000 0.442 399 D N 0.901 121.317 120.400 0.027 0.000 2.133 399 D HA -0.181 4.458 4.640 -0.001 0.000 0.195 399 D C 1.656 177.994 176.300 0.064 0.000 0.997 399 D CA 1.579 55.618 54.000 0.066 0.000 0.840 399 D CB 0.135 40.956 40.800 0.037 0.000 0.947 399 D HN 0.081 nan 8.370 nan 0.000 0.452 400 K N -0.734 119.657 120.400 -0.016 0.000 2.002 400 K HA -0.088 4.232 4.320 -0.001 0.000 0.209 400 K C 2.233 178.767 176.600 -0.110 0.000 1.048 400 K CA 1.826 58.057 56.287 -0.093 0.000 0.930 400 K CB -0.361 32.075 32.500 -0.107 0.000 0.714 400 K HN 0.096 nan 8.250 nan 0.000 0.438 401 T N 1.057 115.573 114.554 -0.064 0.000 2.699 401 T HA -0.166 4.184 4.350 -0.001 0.000 0.268 401 T C 1.522 176.253 174.700 0.051 0.000 1.036 401 T CA 1.447 63.529 62.100 -0.030 0.000 1.147 401 T CB -0.112 68.742 68.868 -0.023 0.000 0.862 401 T HN 0.191 nan 8.240 nan 0.000 0.446 402 M N 1.426 121.091 119.600 0.109 0.000 2.633 402 M HA 0.080 4.559 4.480 -0.001 0.000 0.226 402 M C 1.674 178.114 176.300 0.233 0.000 1.137 402 M CA 0.524 55.973 55.300 0.249 0.000 1.020 402 M CB 0.044 32.811 32.600 0.277 0.000 1.675 402 M HN 0.387 nan 8.290 nan 0.000 0.500 403 Q N -1.458 118.290 119.800 -0.086 0.000 2.093 403 Q HA 0.287 4.627 4.340 -0.001 0.000 0.217 403 Q C 0.689 176.394 176.000 -0.491 0.000 0.785 403 Q CA 0.539 56.046 55.803 -0.494 0.000 1.038 403 Q CB 0.939 28.978 28.738 -1.165 0.000 1.190 403 Q HN 0.364 nan 8.270 nan 0.000 0.468 404 G N 1.470 110.158 108.800 -0.187 0.000 2.175 404 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.244 404 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.244 404 G C 0.034 174.799 174.900 -0.226 0.000 0.982 404 G CA 0.153 45.166 45.100 -0.144 0.000 0.641 404 G HN 0.385 nan 8.290 nan 0.000 0.527 405 I N 3.289 123.666 120.570 -0.322 0.000 2.352 405 I HA 0.320 4.489 4.170 -0.001 0.000 0.290 405 I C -1.699 174.170 176.117 -0.414 0.000 1.036 405 I CA -2.198 58.834 61.300 -0.447 0.000 1.336 405 I CB 1.157 38.925 38.000 -0.387 0.000 1.407 405 I HN -0.086 nan 8.210 nan 0.000 0.497 406 P HA 0.192 nan 4.420 nan 0.000 0.280 406 P C -0.484 176.569 177.300 -0.411 0.000 1.244 406 P CA -0.113 62.730 63.100 -0.429 0.000 0.784 406 P CB 1.207 32.658 31.700 -0.415 0.000 0.913 407 T N -0.131 114.207 114.554 -0.359 0.000 2.716 407 T HA 0.528 4.877 4.350 -0.001 0.000 0.286 407 T C -0.363 174.090 174.700 -0.413 0.000 1.052 407 T CA -0.365 61.586 62.100 -0.248 0.000 1.024 407 T CB 1.091 69.900 68.868 -0.098 0.000 1.349 407 T HN 0.243 nan 8.240 nan 0.000 0.525 408 Y N -0.925 119.394 120.300 0.032 0.000 2.610 408 Y HA 0.307 4.857 4.550 -0.001 0.000 0.254 408 Y C 1.703 177.571 175.900 -0.054 0.000 1.110 408 Y CA -0.782 57.311 58.100 -0.013 0.000 1.238 408 Y CB 0.207 38.675 38.460 0.013 0.000 1.322 408 Y HN 0.619 nan 8.280 nan 0.000 0.547 409 D N 1.486 121.939 120.400 0.089 0.000 2.149 409 D HA -0.227 4.413 4.640 -0.001 0.000 0.194 409 D C 1.061 177.373 176.300 0.020 0.000 1.001 409 D CA 1.734 55.763 54.000 0.047 0.000 0.849 409 D CB 0.078 40.897 40.800 0.033 0.000 0.939 409 D HN 0.564 nan 8.370 nan 0.000 0.449 410 E N 0.350 120.553 120.200 0.006 0.000 2.515 410 E HA -0.055 4.294 4.350 -0.001 0.000 0.201 410 E C 2.162 178.663 176.600 -0.165 0.000 1.071 410 E CA -0.174 56.243 56.400 0.028 0.000 0.880 410 E CB 0.004 29.756 29.700 0.087 0.000 0.828 410 E HN 0.368 nan 8.360 nan 0.000 0.540 411 L N 0.872 121.956 121.223 -0.232 0.000 2.201 411 L HA -0.157 4.182 4.340 -0.001 0.000 0.212 411 L C 2.507 179.140 176.870 -0.396 0.000 1.105 411 L CA 0.760 55.356 54.840 -0.408 0.000 0.775 411 L CB -0.125 41.749 42.059 -0.308 0.000 0.913 411 L HN -0.003 nan 8.230 nan 0.000 0.440 412 K N 0.482 120.769 120.400 -0.190 0.000 2.152 412 K HA -0.215 4.105 4.320 -0.001 0.000 0.206 412 K C 1.953 178.552 176.600 -0.001 0.000 1.048 412 K CA 1.615 57.858 56.287 -0.073 0.000 0.933 412 K CB -0.323 32.197 32.500 0.034 0.000 0.721 412 K HN 0.609 nan 8.250 nan 0.000 0.447 413 W N 0.042 121.348 121.300 0.009 0.000 2.425 413 W HA -0.099 4.560 4.660 -0.001 0.000 0.277 413 W C 1.347 177.887 176.519 0.035 0.000 1.231 413 W CA 0.126 57.486 57.345 0.024 0.000 1.248 413 W CB -0.922 28.513 29.460 -0.042 0.000 1.117 413 W HN -0.125 nan 8.180 nan 0.000 0.568 414 I N 1.856 122.195 120.570 -0.385 0.000 2.530 414 I HA -0.263 3.907 4.170 -0.001 0.000 0.257 414 I C 1.186 177.225 176.117 -0.130 0.000 1.179 414 I CA 1.511 62.565 61.300 -0.410 0.000 1.440 414 I CB -0.539 37.059 38.000 -0.670 0.000 1.087 414 I HN -0.146 nan 8.210 nan 0.000 0.440 415 D N -0.291 120.094 120.400 -0.025 0.000 2.370 415 D HA -0.087 4.553 4.640 -0.001 0.000 0.230 415 D C 1.398 177.798 176.300 0.168 0.000 1.143 415 D CA 0.004 54.017 54.000 0.022 0.000 0.834 415 D CB -0.107 40.694 40.800 0.002 0.000 0.944 415 D HN 0.508 nan 8.370 nan 0.000 0.504 416 W N 1.046 122.371 121.300 0.043 0.000 2.317 416 W HA -0.136 4.524 4.660 -0.001 0.000 0.318 416 W C -0.094 176.449 176.519 0.040 0.000 1.227 416 W CA 0.905 58.297 57.345 0.079 0.000 1.269 416 W CB 0.277 29.807 29.460 0.117 0.000 1.155 416 W HN -0.057 nan 8.180 nan 0.000 0.484 417 L N -0.391 120.856 121.223 0.041 0.000 2.322 417 L HA 0.259 4.598 4.340 -0.001 0.000 0.269 417 L C -1.088 175.736 176.870 -0.077 0.000 1.012 417 L CA -2.302 52.485 54.840 -0.088 0.000 0.815 417 L CB 0.364 42.404 42.059 -0.032 0.000 1.295 417 L HN -0.340 nan 8.230 nan 0.000 0.438 418 P HA -0.241 nan 4.420 nan 0.000 0.211 418 P C 0.293 177.537 177.300 -0.093 0.000 1.038 418 P CA 1.631 64.684 63.100 -0.078 0.000 0.988 418 P CB 0.038 31.701 31.700 -0.062 0.000 0.758 419 N N -0.744 117.890 118.700 -0.110 0.000 2.455 419 N HA 0.124 4.864 4.740 -0.001 0.000 0.258 419 N C 0.386 175.728 175.510 -0.280 0.000 1.158 419 N CA 0.134 53.090 53.050 -0.156 0.000 0.893 419 N CB -0.224 38.192 38.487 -0.119 0.000 1.173 419 N HN 0.123 nan 8.380 nan 0.000 0.503 420 G N 1.121 109.770 108.800 -0.251 0.000 2.824 420 G HA2 0.078 4.038 3.960 -0.001 0.000 0.295 420 G HA3 0.078 4.038 3.960 -0.001 0.000 0.295 420 G C -0.117 174.433 174.900 -0.583 0.000 0.371 420 G CA 0.243 45.147 45.100 -0.327 0.000 1.167 420 G HN 0.365 nan 8.290 nan 0.000 0.196 421 A N 3.932 126.238 122.820 -0.856 0.000 2.371 421 A HA 0.799 5.118 4.320 -0.001 0.000 0.311 421 A C -0.264 177.070 177.584 -0.415 0.000 1.068 421 A CA -0.869 50.537 52.037 -1.051 0.000 0.744 421 A CB 1.296 19.412 19.000 -1.475 0.000 1.239 421 A HN 1.170 nan 8.150 nan 0.000 0.435 422 H N 0.332 119.462 119.070 0.101 0.000 2.533 422 H HA 0.804 5.359 4.556 -0.001 0.000 0.343 422 H C -1.221 174.168 175.328 0.102 0.000 1.160 422 H CA -2.124 53.976 56.048 0.087 0.000 1.218 422 H CB 1.244 30.968 29.762 -0.063 0.000 1.566 422 H HN 0.713 nan 8.280 nan 0.000 0.522 423 L N 2.047 123.325 121.223 0.093 0.000 2.528 423 L HA 0.418 4.758 4.340 -0.001 0.000 0.267 423 L C -1.967 174.828 176.870 -0.125 0.000 0.961 423 L CA -0.569 54.255 54.840 -0.028 0.000 0.866 423 L CB 0.898 43.056 42.059 0.165 0.000 1.248 423 L HN 0.430 nan 8.230 nan 0.000 0.404 424 F N 5.095 125.042 119.950 -0.005 0.000 2.427 424 F HA 0.377 4.904 4.527 -0.000 0.000 0.352 424 F C -0.169 175.754 175.800 0.204 0.000 1.100 424 F CA -0.197 57.822 58.000 0.032 0.000 1.191 424 F CB 0.896 39.815 39.000 -0.135 0.000 1.128 424 F HN 0.385 nan 8.300 nan 0.000 0.533 425 F N 2.796 122.883 119.950 0.227 0.000 2.361 425 F HA 0.492 5.018 4.527 -0.000 0.000 0.364 425 F C -0.213 175.666 175.800 0.132 0.000 1.117 425 F CA -0.593 57.481 58.000 0.123 0.000 1.071 425 F CB 0.910 39.904 39.000 -0.011 0.000 1.188 425 F HN 0.336 nan 8.300 nan 0.000 0.464 426 S N 7.673 123.153 115.700 -0.367 0.000 2.139 426 S HA 0.301 4.771 4.470 -0.001 0.000 0.183 426 S C -2.804 171.653 174.600 -0.238 0.000 1.473 426 S CA -1.104 57.002 58.200 -0.156 0.000 1.263 426 S CB -0.057 63.308 63.200 0.275 0.000 1.170 426 S HN 0.456 nan 8.310 nan 0.000 0.430 427 P HA 0.347 nan 4.420 nan 0.000 0.274 427 P C -0.587 176.642 177.300 -0.119 0.000 1.246 427 P CA -0.474 62.479 63.100 -0.245 0.000 0.795 427 P CB 0.767 32.323 31.700 -0.241 0.000 1.006 428 I N 0.016 120.539 120.570 -0.078 0.000 2.577 428 I HA 0.606 4.776 4.170 -0.001 0.000 0.305 428 I C 0.623 176.687 176.117 -0.087 0.000 0.986 428 I CA -1.058 60.181 61.300 -0.102 0.000 1.189 428 I CB 0.929 38.863 38.000 -0.110 0.000 1.355 428 I HN 0.453 nan 8.210 nan 0.000 0.476 429 A N 4.987 127.766 122.820 -0.068 0.000 2.479 429 A HA 0.653 4.973 4.320 -0.001 0.000 0.296 429 A C -0.311 177.288 177.584 0.025 0.000 1.121 429 A CA -0.785 51.204 52.037 -0.079 0.000 0.743 429 A CB 1.276 20.155 19.000 -0.202 0.000 1.323 429 A HN 0.662 nan 8.150 nan 0.000 0.415 430 K N -0.244 120.215 120.400 0.099 0.000 2.286 430 K HA 0.323 4.643 4.320 -0.001 0.000 0.256 430 K C -0.376 176.203 176.600 -0.035 0.000 0.999 430 K CA -0.078 56.237 56.287 0.047 0.000 0.908 430 K CB 0.569 33.114 32.500 0.075 0.000 0.981 430 K HN 0.311 nan 8.250 nan 0.000 0.500 431 V N 2.791 122.682 119.914 -0.038 0.000 2.071 431 V HA 0.061 4.181 4.120 -0.001 0.000 0.254 431 V C -0.316 175.720 176.094 -0.097 0.000 1.456 431 V CA -0.008 62.242 62.300 -0.083 0.000 1.383 431 V CB -0.929 30.864 31.823 -0.051 0.000 1.433 431 V HN 0.754 nan 8.190 nan 0.000 0.499 432 S N 1.392 117.020 115.700 -0.121 0.000 2.546 432 S HA 0.591 5.061 4.470 -0.001 0.000 0.272 432 S C 0.991 175.504 174.600 -0.145 0.000 1.140 432 S CA 0.003 58.139 58.200 -0.106 0.000 0.920 432 S CB 1.861 65.031 63.200 -0.051 0.000 1.083 432 S HN 0.520 nan 8.310 nan 0.000 0.476 433 G N 2.240 110.947 108.800 -0.155 0.000 2.491 433 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.218 433 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.218 433 G C 1.075 175.911 174.900 -0.107 0.000 1.180 433 G CA 1.248 46.245 45.100 -0.172 0.000 0.774 433 G HN 0.951 nan 8.290 nan 0.000 0.562 434 E N 0.513 120.681 120.200 -0.053 0.000 2.049 434 E HA -0.262 4.088 4.350 -0.001 0.000 0.198 434 E C 2.077 178.710 176.600 0.055 0.000 1.007 434 E CA 1.786 58.186 56.400 0.001 0.000 0.809 434 E CB -0.379 29.325 29.700 0.006 0.000 0.749 434 E HN 0.389 nan 8.360 nan 0.000 0.450 435 D N -0.254 120.190 120.400 0.073 0.000 2.123 435 D HA -0.143 4.497 4.640 -0.001 0.000 0.196 435 D C 1.905 178.307 176.300 0.170 0.000 0.992 435 D CA 1.960 56.089 54.000 0.216 0.000 0.833 435 D CB -0.228 40.703 40.800 0.219 0.000 0.954 435 D HN 0.341 nan 8.370 nan 0.000 0.455 436 A N 0.337 123.125 122.820 -0.054 0.000 1.865 436 A HA -0.210 4.110 4.320 -0.001 0.000 0.217 436 A C 2.229 179.800 177.584 -0.021 0.000 1.191 436 A CA 1.975 53.879 52.037 -0.221 0.000 0.623 436 A CB -0.595 18.091 19.000 -0.524 0.000 0.826 436 A HN 0.252 nan 8.150 nan 0.000 0.444 437 M N -1.486 118.120 119.600 0.010 0.000 2.159 437 M HA -0.115 4.365 4.480 -0.001 0.000 0.263 437 M C 2.367 178.782 176.300 0.191 0.000 1.063 437 M CA 1.645 57.023 55.300 0.131 0.000 1.110 437 M CB -1.036 31.614 32.600 0.084 0.000 1.374 437 M HN 0.615 nan 8.290 nan 0.000 0.411 438 M N -0.072 119.657 119.600 0.214 0.000 2.077 438 M HA -0.260 4.220 4.480 -0.001 0.000 0.261 438 M C 2.328 178.869 176.300 0.402 0.000 1.070 438 M CA 1.797 57.290 55.300 0.321 0.000 1.125 438 M CB -0.203 32.642 32.600 0.408 0.000 1.339 438 M HN 0.265 nan 8.290 nan 0.000 0.409 439 Q N -0.887 119.063 119.800 0.249 0.000 2.030 439 Q HA -0.273 4.067 4.340 -0.001 0.000 0.204 439 Q C 1.979 178.085 176.000 0.177 0.000 0.986 439 Q CA 2.221 57.897 55.803 -0.211 0.000 0.843 439 Q CB -0.421 27.849 28.738 -0.781 0.000 0.904 439 Q HN 0.642 nan 8.270 nan 0.000 0.420 440 Y N 0.329 120.706 120.300 0.128 0.000 2.256 440 Y HA -0.203 4.347 4.550 -0.001 0.000 0.288 440 Y C 1.864 177.771 175.900 0.012 0.000 1.155 440 Y CA 1.277 59.448 58.100 0.118 0.000 1.203 440 Y CB -0.590 37.948 38.460 0.131 0.000 0.980 440 Y HN 0.208 nan 8.280 nan 0.000 0.530 441 A N -0.736 122.063 122.820 -0.035 0.000 1.902 441 A HA -0.121 4.199 4.320 -0.001 0.000 0.217 441 A C 2.352 179.898 177.584 -0.063 0.000 1.181 441 A CA 2.079 54.040 52.037 -0.127 0.000 0.623 441 A CB -1.211 17.791 19.000 0.004 0.000 0.818 441 A HN 0.298 nan 8.150 nan 0.000 0.443 442 V N -0.279 119.676 119.914 0.068 0.000 2.283 442 V HA -0.200 3.920 4.120 -0.001 0.000 0.243 442 V C 2.717 178.829 176.094 0.031 0.000 1.039 442 V CA 2.376 64.729 62.300 0.088 0.000 1.016 442 V CB -1.527 30.424 31.823 0.214 0.000 0.650 442 V HN 0.588 nan 8.190 nan 0.000 0.449 443 T N 0.134 114.724 114.554 0.060 0.000 2.607 443 T HA -0.327 4.022 4.350 -0.001 0.000 0.267 443 T C 1.927 176.637 174.700 0.016 0.000 1.049 443 T CA 2.184 64.320 62.100 0.060 0.000 1.162 443 T CB -0.324 68.685 68.868 0.235 0.000 0.863 443 T HN 0.439 nan 8.240 nan 0.000 0.424 444 K N 1.254 121.552 120.400 -0.170 0.000 2.059 444 K HA -0.211 4.108 4.320 -0.001 0.000 0.212 444 K C 2.384 178.931 176.600 -0.088 0.000 1.050 444 K CA 1.670 57.805 56.287 -0.253 0.000 0.927 444 K CB -0.144 31.954 32.500 -0.669 0.000 0.714 444 K HN 0.243 nan 8.250 nan 0.000 0.447 445 K N 0.030 120.384 120.400 -0.076 0.000 2.026 445 K HA -0.188 4.132 4.320 -0.001 0.000 0.208 445 K C 2.117 178.740 176.600 0.039 0.000 1.048 445 K CA 1.255 57.535 56.287 -0.012 0.000 0.929 445 K CB -0.013 32.486 32.500 -0.003 0.000 0.713 445 K HN 0.037 nan 8.250 nan 0.000 0.439 446 R N 1.002 121.515 120.500 0.021 0.000 2.080 446 R HA -0.133 4.206 4.340 -0.001 0.000 0.236 446 R C 2.530 178.889 176.300 0.098 0.000 1.137 446 R CA 1.380 57.503 56.100 0.038 0.000 0.943 446 R CB -1.620 28.609 30.300 -0.119 0.000 0.846 446 R HN 0.377 nan 8.270 nan 0.000 0.431 447 C N 0.776 120.121 119.300 0.075 0.000 2.363 447 C HA -0.179 4.281 4.460 -0.001 0.000 0.274 447 C C 2.723 177.786 174.990 0.122 0.000 1.183 447 C CA 1.209 60.294 59.018 0.111 0.000 1.771 447 C CB -0.858 26.985 27.740 0.171 0.000 2.059 447 C HN 0.500 nan 8.230 nan 0.000 0.455 448 Q N 0.144 120.005 119.800 0.102 0.000 2.167 448 Q HA -0.099 4.240 4.340 -0.001 0.000 0.202 448 Q C 1.983 178.039 176.000 0.093 0.000 0.970 448 Q CA 1.224 57.081 55.803 0.090 0.000 0.855 448 Q CB -0.311 28.467 28.738 0.067 0.000 0.911 448 Q HN 0.669 nan 8.270 nan 0.000 0.438 449 E N -0.319 119.956 120.200 0.124 0.000 2.110 449 E HA -0.148 4.201 4.350 -0.001 0.000 0.193 449 E C 1.439 178.101 176.600 0.103 0.000 0.988 449 E CA 1.040 57.514 56.400 0.124 0.000 0.804 449 E CB -0.085 29.750 29.700 0.224 0.000 0.745 449 E HN 0.368 nan 8.360 nan 0.000 0.458 450 A N -0.030 122.912 122.820 0.203 0.000 2.208 450 A HA 0.260 4.579 4.320 -0.001 0.000 0.209 450 A C 1.529 179.171 177.584 0.097 0.000 1.161 450 A CA 0.761 52.900 52.037 0.170 0.000 0.782 450 A CB -0.071 19.113 19.000 0.308 0.000 0.816 450 A HN 0.311 nan 8.150 nan 0.000 0.477 451 G N -1.131 107.723 108.800 0.090 0.000 2.165 451 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.226 451 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.226 451 G C -0.228 174.736 174.900 0.106 0.000 1.035 451 G CA 0.222 45.370 45.100 0.080 0.000 0.744 451 G HN 0.437 nan 8.290 nan 0.000 0.501 452 L N 0.506 121.803 121.223 0.124 0.000 2.365 452 L HA 0.437 4.777 4.340 -0.001 0.000 0.273 452 L C -0.070 176.896 176.870 0.160 0.000 1.000 452 L CA -1.201 53.728 54.840 0.148 0.000 0.819 452 L CB 1.438 43.578 42.059 0.134 0.000 1.284 452 L HN 0.056 nan 8.230 nan 0.000 0.418 453 D N 1.683 122.208 120.400 0.209 0.000 2.423 453 D HA 0.035 4.675 4.640 -0.001 0.000 0.238 453 D C -0.507 175.838 176.300 0.075 0.000 1.142 453 D CA 0.347 54.457 54.000 0.184 0.000 0.884 453 D CB 1.329 42.278 40.800 0.248 0.000 1.199 453 D HN 0.157 nan 8.370 nan 0.000 0.438 454 F N 2.017 121.919 119.950 -0.080 0.000 2.410 454 F HA 0.401 4.928 4.527 -0.001 0.000 0.348 454 F C -0.436 175.143 175.800 -0.369 0.000 1.106 454 F CA -0.401 57.494 58.000 -0.175 0.000 1.163 454 F CB 0.363 39.269 39.000 -0.158 0.000 1.129 454 F HN 0.153 nan 8.300 nan 0.000 0.516 455 I N 5.855 125.647 120.570 -1.297 0.000 2.548 455 I HA 0.642 4.812 4.170 -0.001 0.000 0.287 455 I C -0.144 175.280 176.117 -1.154 0.000 1.103 455 I CA -0.562 60.110 61.300 -1.046 0.000 1.049 455 I CB 1.674 39.235 38.000 -0.732 0.000 1.232 455 I HN 0.812 nan 8.210 nan 0.000 0.429 456 G N 3.118 111.428 108.800 -0.816 0.000 2.649 456 G HA2 0.825 4.785 3.960 -0.001 0.000 0.290 456 G HA3 0.825 4.785 3.960 -0.001 0.000 0.290 456 G C -1.471 173.326 174.900 -0.172 0.000 1.426 456 G CA -0.554 44.259 45.100 -0.478 0.000 0.794 456 G HN 0.410 nan 8.290 nan 0.000 0.483 457 T N -0.294 114.179 114.554 -0.134 0.000 2.933 457 T HA 0.590 4.940 4.350 -0.001 0.000 0.305 457 T C -1.327 173.366 174.700 -0.012 0.000 1.092 457 T CA -0.428 61.652 62.100 -0.034 0.000 1.008 457 T CB 1.626 70.456 68.868 -0.065 0.000 1.102 457 T HN 0.314 nan 8.240 nan 0.000 0.469 458 F N 2.194 122.248 119.950 0.174 0.000 2.408 458 F HA 0.528 5.055 4.527 -0.001 0.000 0.344 458 F C 1.286 177.141 175.800 0.091 0.000 1.112 458 F CA -0.766 57.295 58.000 0.101 0.000 1.096 458 F CB 1.474 40.464 39.000 -0.016 0.000 1.129 458 F HN 0.612 nan 8.300 nan 0.000 0.486 459 T N 0.444 115.156 114.554 0.265 0.000 2.767 459 T HA 0.562 4.911 4.350 -0.001 0.000 0.284 459 T C -0.577 174.237 174.700 0.190 0.000 0.973 459 T CA -0.821 61.397 62.100 0.196 0.000 0.996 459 T CB 0.906 69.871 68.868 0.161 0.000 0.927 459 T HN 0.302 nan 8.240 nan 0.000 0.456 460 V N 4.718 124.751 119.914 0.200 0.000 2.370 460 V HA 0.493 4.613 4.120 -0.001 0.000 0.257 460 V C 1.412 177.589 176.094 0.138 0.000 1.064 460 V CA -0.380 62.027 62.300 0.177 0.000 0.975 460 V CB -0.144 31.822 31.823 0.238 0.000 1.067 460 V HN 1.143 nan 8.190 nan 0.000 0.485 461 G N 2.992 111.862 108.800 0.117 0.000 2.621 461 G HA2 0.330 4.289 3.960 -0.001 0.000 0.271 461 G HA3 0.330 4.289 3.960 -0.001 0.000 0.271 461 G C 0.699 175.652 174.900 0.088 0.000 1.236 461 G CA -0.451 44.706 45.100 0.094 0.000 0.958 461 G HN 0.626 nan 8.290 nan 0.000 0.512 462 M N -0.656 118.990 119.600 0.075 0.000 2.067 462 M HA 0.010 4.489 4.480 -0.001 0.000 0.260 462 M C 2.171 178.504 176.300 0.055 0.000 1.069 462 M CA 1.834 57.174 55.300 0.067 0.000 1.117 462 M CB -0.054 32.581 32.600 0.058 0.000 1.334 462 M HN 0.491 nan 8.290 nan 0.000 0.407 463 R N -0.600 119.930 120.500 0.050 0.000 2.509 463 R HA 0.212 4.552 4.340 -0.001 0.000 0.297 463 R C -0.674 175.646 176.300 0.033 0.000 0.951 463 R CA 0.087 56.208 56.100 0.035 0.000 1.103 463 R CB 0.577 30.894 30.300 0.029 0.000 1.283 463 R HN 0.437 nan 8.270 nan 0.000 0.534 464 E N 0.078 120.306 120.200 0.048 0.000 2.416 464 E HA 0.484 4.833 4.350 -0.001 0.000 0.273 464 E C -0.873 175.772 176.600 0.074 0.000 0.935 464 E CA -0.818 55.609 56.400 0.046 0.000 0.784 464 E CB 1.449 31.173 29.700 0.040 0.000 1.301 464 E HN -0.156 nan 8.360 nan 0.000 0.454 465 M N 1.358 120.994 119.600 0.060 0.000 2.395 465 M HA 0.377 4.856 4.480 -0.001 0.000 0.307 465 M C -1.378 175.008 176.300 0.143 0.000 1.091 465 M CA -0.871 54.502 55.300 0.122 0.000 0.919 465 M CB 2.042 34.669 32.600 0.044 0.000 1.662 465 M HN 0.599 nan 8.290 nan 0.000 0.440 466 H N 1.303 120.381 119.070 0.013 0.000 2.652 466 H HA 0.231 4.787 4.556 -0.001 0.000 0.298 466 H C -0.557 174.831 175.328 0.099 0.000 1.076 466 H CA -0.021 55.988 56.048 -0.065 0.000 1.360 466 H CB 0.180 29.787 29.762 -0.259 0.000 1.421 466 H HN 0.340 nan 8.280 nan 0.000 0.464 467 H N 5.078 124.187 119.070 0.066 0.000 2.872 467 H HA 0.141 4.696 4.556 -0.001 0.000 0.273 467 H C -0.508 174.775 175.328 -0.076 0.000 1.205 467 H CA -1.047 54.984 56.048 -0.028 0.000 1.342 467 H CB -0.263 29.476 29.762 -0.039 0.000 1.469 467 H HN 0.475 nan 8.280 nan 0.000 0.487 468 I N 7.235 127.833 120.570 0.045 0.000 2.278 468 I HA 0.023 4.193 4.170 -0.001 0.000 0.296 468 I C 0.199 176.227 176.117 -0.148 0.000 1.121 468 I CA -0.472 60.792 61.300 -0.060 0.000 1.267 468 I CB 0.059 37.988 38.000 -0.119 0.000 1.447 468 I HN 0.214 nan 8.210 nan 0.000 0.509 469 V N 6.127 125.937 119.914 -0.173 0.000 2.439 469 V HA 0.013 4.133 4.120 -0.001 0.000 0.271 469 V C 0.481 176.527 176.094 -0.080 0.000 1.040 469 V CA -0.194 61.959 62.300 -0.245 0.000 1.002 469 V CB 0.812 32.585 31.823 -0.083 0.000 1.000 469 V HN 0.747 nan 8.190 nan 0.000 0.477 470 C N 7.405 126.547 119.300 -0.264 0.000 2.145 470 C HA 0.396 4.856 4.460 -0.001 0.000 0.374 470 C C 0.744 175.695 174.990 -0.065 0.000 1.035 470 C CA -0.932 58.016 59.018 -0.118 0.000 1.431 470 C CB -1.663 25.765 27.740 -0.521 0.000 1.789 470 C HN 0.641 nan 8.230 nan 0.000 0.483 471 I N 3.913 124.528 120.570 0.074 0.000 2.421 471 I HA 0.193 4.363 4.170 -0.001 0.000 0.291 471 I C 0.445 176.739 176.117 0.295 0.000 1.089 471 I CA 0.472 61.850 61.300 0.131 0.000 1.354 471 I CB 0.105 38.173 38.000 0.113 0.000 1.413 471 I HN 0.401 nan 8.210 nan 0.000 0.513 472 V N 7.647 127.735 119.914 0.290 0.000 2.581 472 V HA 0.794 4.914 4.120 -0.001 0.000 0.303 472 V C -0.786 175.510 176.094 0.337 0.000 1.041 472 V CA -0.341 62.145 62.300 0.309 0.000 0.907 472 V CB 1.614 33.624 31.823 0.312 0.000 0.994 472 V HN 0.630 nan 8.190 nan 0.000 0.442 473 F N 2.233 122.237 119.950 0.090 0.000 2.711 473 F HA 0.648 5.175 4.527 -0.001 0.000 0.313 473 F C -1.051 174.749 175.800 -0.000 0.000 1.141 473 F CA -1.323 56.708 58.000 0.052 0.000 0.941 473 F CB 1.336 40.360 39.000 0.040 0.000 1.349 473 F HN 0.507 nan 8.300 nan 0.000 0.464 474 N N 1.211 119.959 118.700 0.081 0.000 2.420 474 N HA 0.255 4.994 4.740 -0.001 0.000 0.249 474 N C 0.213 175.764 175.510 0.067 0.000 1.033 474 N CA -0.480 52.555 53.050 -0.024 0.000 0.944 474 N CB 1.283 39.802 38.487 0.054 0.000 1.113 474 N HN 0.749 nan 8.380 nan 0.000 0.502 475 K N 2.080 122.392 120.400 -0.148 0.000 2.362 475 K HA -0.027 4.293 4.320 -0.001 0.000 0.200 475 K C 0.115 176.781 176.600 0.110 0.000 1.046 475 K CA 0.999 57.264 56.287 -0.037 0.000 0.952 475 K CB 0.193 32.468 32.500 -0.375 0.000 0.753 475 K HN 0.364 nan 8.250 nan 0.000 0.466 476 K N 1.600 122.043 120.400 0.072 0.000 2.965 476 K HA 0.079 4.398 4.320 -0.001 0.000 0.216 476 K C -0.736 175.910 176.600 0.076 0.000 1.164 476 K CA -0.104 56.236 56.287 0.088 0.000 1.153 476 K CB 0.270 32.805 32.500 0.057 0.000 1.045 476 K HN 0.007 nan 8.250 nan 0.000 0.460 477 D N 0.902 121.361 120.400 0.100 0.000 2.364 477 D HA 0.106 4.746 4.640 -0.001 0.000 0.251 477 D C 0.703 177.053 176.300 0.083 0.000 1.282 477 D CA -0.460 53.588 54.000 0.080 0.000 0.927 477 D CB 0.634 41.480 40.800 0.076 0.000 1.267 477 D HN -0.107 nan 8.370 nan 0.000 0.531 478 L N 2.588 123.850 121.223 0.065 0.000 2.064 478 L HA -0.200 4.139 4.340 -0.001 0.000 0.216 478 L C 2.356 179.246 176.870 0.033 0.000 1.077 478 L CA 1.577 56.446 54.840 0.048 0.000 0.766 478 L CB -0.774 41.304 42.059 0.032 0.000 0.890 478 L HN 0.566 nan 8.230 nan 0.000 0.435 479 I N -1.425 119.162 120.570 0.029 0.000 2.226 479 I HA -0.310 3.860 4.170 -0.001 0.000 0.245 479 I C 2.734 178.868 176.117 0.028 0.000 1.100 479 I CA 1.337 62.648 61.300 0.018 0.000 1.374 479 I CB -0.222 37.783 38.000 0.010 0.000 1.057 479 I HN 0.435 nan 8.210 nan 0.000 0.413 480 Q N 0.858 120.688 119.800 0.050 0.000 2.083 480 Q HA -0.200 4.140 4.340 -0.001 0.000 0.198 480 Q C 2.176 178.192 176.000 0.026 0.000 0.969 480 Q CA 1.305 57.147 55.803 0.064 0.000 0.838 480 Q CB 0.145 28.951 28.738 0.114 0.000 0.900 480 Q HN 0.414 nan 8.270 nan 0.000 0.436 481 K N -0.006 120.405 120.400 0.020 0.000 2.103 481 K HA -0.180 4.139 4.320 -0.001 0.000 0.207 481 K C 2.121 178.692 176.600 -0.049 0.000 1.048 481 K CA 1.137 57.383 56.287 -0.069 0.000 0.930 481 K CB -0.115 32.395 32.500 0.016 0.000 0.716 481 K HN 0.115 nan 8.250 nan 0.000 0.444 482 R N 1.044 121.546 120.500 0.003 0.000 2.090 482 R HA -0.068 4.272 4.340 -0.001 0.000 0.228 482 R C 2.091 178.437 176.300 0.076 0.000 1.110 482 R CA 1.285 57.404 56.100 0.031 0.000 0.973 482 R CB 0.050 30.362 30.300 0.020 0.000 0.869 482 R HN 0.096 nan 8.270 nan 0.000 0.440 483 K N -0.242 120.196 120.400 0.063 0.000 2.097 483 K HA -0.074 4.246 4.320 -0.001 0.000 0.205 483 K C 1.944 178.640 176.600 0.160 0.000 1.050 483 K CA 1.055 57.424 56.287 0.138 0.000 0.938 483 K CB 0.025 32.574 32.500 0.083 0.000 0.718 483 K HN -0.022 nan 8.250 nan 0.000 0.442 484 V N 1.754 121.669 119.914 0.003 0.000 2.358 484 V HA -0.262 3.858 4.120 -0.001 0.000 0.246 484 V C 2.149 178.190 176.094 -0.090 0.000 1.047 484 V CA 1.669 63.908 62.300 -0.101 0.000 1.035 484 V CB -0.404 31.227 31.823 -0.321 0.000 0.658 484 V HN 0.360 nan 8.190 nan 0.000 0.452 485 Q N -1.532 118.268 119.800 -0.001 0.000 2.096 485 Q HA -0.297 4.043 4.340 -0.001 0.000 0.204 485 Q C 2.057 178.102 176.000 0.076 0.000 0.982 485 Q CA 2.345 58.219 55.803 0.118 0.000 0.850 485 Q CB -0.317 28.524 28.738 0.171 0.000 0.901 485 Q HN 0.830 nan 8.270 nan 0.000 0.422 486 W N 1.294 122.576 121.300 -0.030 0.000 2.381 486 W HA -0.181 4.479 4.660 -0.000 0.000 0.301 486 W C 1.821 178.294 176.519 -0.078 0.000 1.205 486 W CA 1.046 58.373 57.345 -0.031 0.000 1.285 486 W CB -0.287 29.158 29.460 -0.025 0.000 1.133 486 W HN 0.140 nan 8.180 nan 0.000 0.521 487 L N 1.027 122.173 121.223 -0.128 0.000 1.994 487 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 487 L C 2.555 179.102 176.870 -0.538 0.000 1.071 487 L CA 2.792 57.395 54.840 -0.394 0.000 0.745 487 L CB -1.253 40.732 42.059 -0.123 0.000 0.892 487 L HN 0.168 nan 8.230 nan 0.000 0.431 488 M N -0.237 119.081 119.600 -0.470 0.000 2.082 488 M HA -0.227 4.253 4.480 -0.001 0.000 0.258 488 M C 2.303 178.284 176.300 -0.531 0.000 1.069 488 M CA 1.891 56.826 55.300 -0.608 0.000 1.102 488 M CB -0.368 31.658 32.600 -0.956 0.000 1.336 488 M HN 0.194 nan 8.290 nan 0.000 0.404 489 R N -1.440 118.819 120.500 -0.403 0.000 2.189 489 R HA -0.008 4.332 4.340 -0.001 0.000 0.218 489 R C 1.858 177.985 176.300 -0.288 0.000 1.074 489 R CA 1.538 57.515 56.100 -0.205 0.000 0.991 489 R CB -0.589 29.686 30.300 -0.041 0.000 0.883 489 R HN 0.448 nan 8.270 nan 0.000 0.457 490 T N 1.469 115.698 114.554 -0.543 0.000 2.851 490 T HA 0.014 4.363 4.350 -0.001 0.000 0.262 490 T C 1.918 176.372 174.700 -0.410 0.000 1.043 490 T CA 0.748 62.510 62.100 -0.563 0.000 1.140 490 T CB -0.017 68.231 68.868 -1.034 0.000 0.872 490 T HN 0.085 nan 8.240 nan 0.000 0.446 491 L N 0.496 121.395 121.223 -0.541 0.000 2.056 491 L HA -0.006 4.334 4.340 -0.001 0.000 0.207 491 L C 2.392 179.119 176.870 -0.238 0.000 1.078 491 L CA 1.069 55.550 54.840 -0.599 0.000 0.749 491 L CB -0.671 40.615 42.059 -1.287 0.000 0.901 491 L HN 0.231 nan 8.230 nan 0.000 0.433 492 I N -0.056 120.460 120.570 -0.089 0.000 2.087 492 I HA -0.383 3.786 4.170 -0.001 0.000 0.240 492 I C 2.253 178.448 176.117 0.129 0.000 1.054 492 I CA 1.553 62.975 61.300 0.203 0.000 1.311 492 I CB -0.565 37.552 38.000 0.196 0.000 1.024 492 I HN 0.324 nan 8.210 nan 0.000 0.402 493 D N 0.889 121.308 120.400 0.032 0.000 2.103 493 D HA -0.196 4.444 4.640 -0.001 0.000 0.190 493 D C 1.797 178.124 176.300 0.045 0.000 0.997 493 D CA 1.576 55.595 54.000 0.032 0.000 0.833 493 D CB -0.554 40.243 40.800 -0.005 0.000 0.961 493 D HN 0.323 nan 8.370 nan 0.000 0.447 494 D N 0.212 120.625 120.400 0.022 0.000 2.108 494 D HA -0.142 4.497 4.640 -0.001 0.000 0.190 494 D C 2.385 178.778 176.300 0.156 0.000 0.995 494 D CA 0.863 54.899 54.000 0.061 0.000 0.834 494 D CB -0.782 40.032 40.800 0.024 0.000 0.967 494 D HN 0.214 nan 8.370 nan 0.000 0.446 495 C N 1.137 120.606 119.300 0.283 0.000 2.413 495 C HA -0.101 4.359 4.460 -0.001 0.000 0.276 495 C C 2.895 178.056 174.990 0.285 0.000 1.248 495 C CA 0.756 60.076 59.018 0.503 0.000 1.742 495 C CB -1.156 26.995 27.740 0.685 0.000 2.017 495 C HN 0.405 nan 8.230 nan 0.000 0.481 496 A N 0.837 123.770 122.820 0.189 0.000 1.881 496 A HA -0.166 4.154 4.320 -0.001 0.000 0.219 496 A C 2.337 179.922 177.584 0.001 0.000 1.215 496 A CA 2.631 54.711 52.037 0.072 0.000 0.648 496 A CB -1.201 17.839 19.000 0.067 0.000 0.832 496 A HN 0.702 nan 8.150 nan 0.000 0.455 497 A N -1.081 121.742 122.820 0.005 0.000 2.225 497 A HA -0.098 4.222 4.320 -0.001 0.000 0.215 497 A C 1.576 179.090 177.584 -0.116 0.000 1.164 497 A CA 1.315 53.330 52.037 -0.037 0.000 0.710 497 A CB -0.509 18.485 19.000 -0.010 0.000 0.780 497 A HN 0.644 nan 8.150 nan 0.000 0.473 498 N N -1.044 117.537 118.700 -0.198 0.000 2.204 498 N HA 0.188 4.928 4.740 -0.001 0.000 0.219 498 N C 0.802 175.878 175.510 -0.724 0.000 1.151 498 N CA 0.661 53.411 53.050 -0.499 0.000 0.867 498 N CB 0.634 38.655 38.487 -0.778 0.000 1.043 498 N HN 0.538 nan 8.380 nan 0.000 0.516 499 G N 0.844 109.413 108.800 -0.385 0.000 2.160 499 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.244 499 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.244 499 G C -0.661 174.093 174.900 -0.243 0.000 1.022 499 G CA -0.260 44.645 45.100 -0.324 0.000 0.741 499 G HN 0.221 nan 8.290 nan 0.000 0.508 500 W N -0.373 120.920 121.300 -0.012 0.000 2.736 500 W HA 0.724 5.384 4.660 -0.001 0.000 0.335 500 W C 0.436 176.932 176.519 -0.038 0.000 1.059 500 W CA -0.807 56.536 57.345 -0.003 0.000 1.226 500 W CB 2.044 31.544 29.460 0.067 0.000 1.416 500 W HN 0.574 nan 8.180 nan 0.000 0.505 501 G N 1.418 110.317 108.800 0.165 0.000 2.605 501 G HA2 0.534 4.493 3.960 -0.001 0.000 0.296 501 G HA3 0.534 4.493 3.960 -0.001 0.000 0.296 501 G C -1.185 173.805 174.900 0.150 0.000 1.304 501 G CA -0.600 44.535 45.100 0.059 0.000 0.941 501 G HN 0.156 nan 8.290 nan 0.000 0.475 502 E N -0.773 119.527 120.200 0.167 0.000 2.374 502 E HA 0.253 4.603 4.350 -0.001 0.000 0.260 502 E C 0.254 176.958 176.600 0.173 0.000 1.101 502 E CA -0.307 56.132 56.400 0.065 0.000 0.907 502 E CB 0.784 30.492 29.700 0.015 0.000 1.014 502 E HN 0.548 nan 8.360 nan 0.000 0.427 503 Y N 0.933 121.189 120.300 -0.073 0.000 2.449 503 Y HA 0.389 4.939 4.550 -0.001 0.000 0.254 503 Y C 0.133 175.959 175.900 -0.124 0.000 1.140 503 Y CA -0.173 57.868 58.100 -0.098 0.000 1.272 503 Y CB 0.645 38.999 38.460 -0.177 0.000 1.114 503 Y HN 0.347 nan 8.280 nan 0.000 0.525 504 R N 0.394 120.613 120.500 -0.467 0.000 2.858 504 R HA 0.446 4.786 4.340 -0.001 0.000 0.252 504 R C -1.826 174.192 176.300 -0.471 0.000 1.063 504 R CA 0.308 55.974 56.100 -0.723 0.000 0.955 504 R CB 0.831 30.311 30.300 -1.367 0.000 1.259 504 R HN 0.298 nan 8.270 nan 0.000 0.477 505 T N -0.735 113.591 114.554 -0.379 0.000 2.739 505 T HA 0.296 4.645 4.350 -0.001 0.000 0.303 505 T C -0.900 173.930 174.700 0.218 0.000 1.389 505 T CA -0.954 61.188 62.100 0.070 0.000 1.001 505 T CB 0.854 69.891 68.868 0.282 0.000 1.436 505 T HN 0.591 nan 8.240 nan 0.000 0.500 506 H N 0.420 119.756 119.070 0.442 0.000 2.852 506 H HA 0.201 4.757 4.556 -0.001 0.000 0.362 506 H C 1.262 176.661 175.328 0.119 0.000 1.122 506 H CA 0.139 56.396 56.048 0.349 0.000 1.419 506 H CB 0.557 30.627 29.762 0.512 0.000 1.401 506 H HN 0.599 nan 8.280 nan 0.000 0.609 507 L N 3.484 124.519 121.223 -0.313 0.000 1.976 507 L HA -0.304 4.035 4.340 -0.001 0.000 0.223 507 L C 2.594 179.432 176.870 -0.053 0.000 1.081 507 L CA 2.021 56.649 54.840 -0.354 0.000 0.784 507 L CB -0.851 40.526 42.059 -1.137 0.000 0.896 507 L HN 0.694 nan 8.230 nan 0.000 0.438 508 A N -1.562 121.333 122.820 0.126 0.000 2.248 508 A HA -0.080 4.240 4.320 -0.001 0.000 0.210 508 A C 1.478 178.698 177.584 -0.605 0.000 1.174 508 A CA 1.121 53.081 52.037 -0.129 0.000 0.750 508 A CB -0.597 18.180 19.000 -0.371 0.000 0.780 508 A HN 0.442 nan 8.150 nan 0.000 0.478 509 F N -2.299 117.822 119.950 0.285 0.000 2.728 509 F HA 0.295 4.822 4.527 -0.001 0.000 0.314 509 F C 1.860 177.777 175.800 0.195 0.000 1.094 509 F CA -0.295 57.841 58.000 0.226 0.000 1.217 509 F CB -0.482 38.656 39.000 0.229 0.000 1.056 509 F HN 0.046 nan 8.300 nan 0.000 0.577 510 M N 0.397 120.134 119.600 0.228 0.000 2.255 510 M HA -0.274 4.205 4.480 -0.001 0.000 0.260 510 M C 1.860 178.268 176.300 0.180 0.000 1.069 510 M CA 2.108 57.500 55.300 0.154 0.000 1.089 510 M CB -0.580 32.053 32.600 0.054 0.000 1.269 510 M HN 0.005 nan 8.290 nan 0.000 0.434 511 D N 0.002 120.524 120.400 0.203 0.000 2.127 511 D HA -0.261 4.379 4.640 -0.001 0.000 0.190 511 D C 1.890 178.318 176.300 0.214 0.000 1.000 511 D CA 1.737 55.870 54.000 0.222 0.000 0.839 511 D CB -0.673 40.283 40.800 0.260 0.000 0.955 511 D HN 0.523 nan 8.370 nan 0.000 0.446 512 Q N -0.067 119.877 119.800 0.240 0.000 2.135 512 Q HA -0.140 4.200 4.340 -0.001 0.000 0.204 512 Q C 2.375 178.527 176.000 0.253 0.000 0.981 512 Q CA 0.934 56.881 55.803 0.241 0.000 0.856 512 Q CB -0.069 28.838 28.738 0.283 0.000 0.902 512 Q HN 0.279 nan 8.270 nan 0.000 0.425 513 I N -0.223 120.515 120.570 0.279 0.000 2.286 513 I HA -0.226 3.944 4.170 -0.001 0.000 0.245 513 I C 2.262 178.587 176.117 0.346 0.000 1.104 513 I CA 0.672 62.158 61.300 0.309 0.000 1.397 513 I CB -0.027 38.148 38.000 0.292 0.000 1.072 513 I HN 0.308 nan 8.210 nan 0.000 0.417 514 M N 0.485 120.233 119.600 0.246 0.000 2.374 514 M HA -0.171 4.308 4.480 -0.001 0.000 0.264 514 M C 1.860 178.327 176.300 0.277 0.000 1.067 514 M CA 1.572 57.018 55.300 0.243 0.000 1.103 514 M CB -0.255 32.423 32.600 0.129 0.000 1.402 514 M HN 0.059 nan 8.290 nan 0.000 0.444 515 E N -1.291 119.050 120.200 0.235 0.000 2.435 515 E HA -0.043 4.307 4.350 -0.001 0.000 0.195 515 E C 1.555 178.274 176.600 0.198 0.000 1.029 515 E CA 1.128 57.647 56.400 0.199 0.000 0.865 515 E CB -0.307 29.487 29.700 0.157 0.000 0.833 515 E HN 0.425 nan 8.360 nan 0.000 0.510 516 T N -0.484 114.205 114.554 0.225 0.000 2.951 516 T HA -0.076 4.274 4.350 -0.001 0.000 0.268 516 T C -0.109 174.640 174.700 0.081 0.000 1.073 516 T CA 0.746 62.926 62.100 0.134 0.000 1.134 516 T CB -0.214 68.733 68.868 0.132 0.000 0.884 516 T HN 0.200 nan 8.240 nan 0.000 0.479 517 Y N 2.625 123.023 120.300 0.165 0.000 2.933 517 Y HA 0.248 4.798 4.550 -0.001 0.000 0.380 517 Y C 1.118 177.163 175.900 0.243 0.000 1.056 517 Y CA -1.108 57.101 58.100 0.181 0.000 1.704 517 Y CB -0.617 37.955 38.460 0.186 0.000 1.558 517 Y HN 0.230 nan 8.280 nan 0.000 0.501 518 N N -1.719 117.160 118.700 0.299 0.000 2.313 518 N HA -0.097 4.642 4.740 -0.001 0.000 0.207 518 N C 0.122 175.784 175.510 0.254 0.000 1.141 518 N CA -0.403 52.799 53.050 0.254 0.000 0.830 518 N CB -0.351 38.238 38.487 0.170 0.000 1.008 518 N HN 0.375 nan 8.380 nan 0.000 0.481 519 W N 2.586 123.941 121.300 0.093 0.000 2.345 519 W HA -0.032 4.628 4.660 -0.001 0.000 0.346 519 W C 0.880 177.444 176.519 0.074 0.000 1.243 519 W CA 0.938 58.319 57.345 0.060 0.000 1.327 519 W CB -0.072 29.413 29.460 0.042 0.000 1.187 519 W HN 0.455 nan 8.180 nan 0.000 0.588 520 N N 4.716 122.870 118.700 -0.910 0.000 2.678 520 N HA -0.371 4.369 4.740 -0.001 0.000 0.268 520 N C -0.219 175.120 175.510 -0.286 0.000 1.010 520 N CA 0.831 53.377 53.050 -0.841 0.000 0.784 520 N CB -1.083 36.651 38.487 -1.254 0.000 0.905 520 N HN 0.753 nan 8.380 nan 0.000 0.552 521 N N 0.003 118.604 118.700 -0.166 0.000 2.725 521 N HA -0.184 4.555 4.740 -0.001 0.000 0.251 521 N C -0.300 175.234 175.510 0.038 0.000 1.031 521 N CA 1.409 54.433 53.050 -0.043 0.000 0.720 521 N CB -1.412 37.041 38.487 -0.056 0.000 0.930 521 N HN 0.642 nan 8.380 nan 0.000 0.543 522 S N -2.582 113.178 115.700 0.099 0.000 3.561 522 S HA -0.262 4.208 4.470 -0.001 0.000 0.318 522 S C 1.431 176.145 174.600 0.189 0.000 1.181 522 S CA 1.188 59.490 58.200 0.171 0.000 0.916 522 S CB -1.328 61.959 63.200 0.145 0.000 0.966 522 S HN 0.817 nan 8.310 nan 0.000 0.550 523 S N 0.540 116.352 115.700 0.186 0.000 2.365 523 S HA -0.195 4.275 4.470 -0.001 0.000 0.225 523 S C 1.399 176.175 174.600 0.294 0.000 1.039 523 S CA 1.855 60.178 58.200 0.206 0.000 1.033 523 S CB -0.393 62.914 63.200 0.179 0.000 0.887 523 S HN 0.609 nan 8.310 nan 0.000 0.447 524 F N 2.006 122.079 119.950 0.205 0.000 2.063 524 F HA -0.138 4.389 4.527 -0.001 0.000 0.298 524 F C 1.970 177.883 175.800 0.187 0.000 1.109 524 F CA 1.989 60.105 58.000 0.192 0.000 1.212 524 F CB -0.993 38.117 39.000 0.183 0.000 0.973 524 F HN 0.371 nan 8.300 nan 0.000 0.480 525 L N 0.472 121.727 121.223 0.054 0.000 2.093 525 L HA -0.104 4.236 4.340 -0.001 0.000 0.208 525 L C 2.357 179.213 176.870 -0.023 0.000 1.085 525 L CA 1.496 56.280 54.840 -0.092 0.000 0.755 525 L CB -0.843 41.230 42.059 0.023 0.000 0.904 525 L HN -0.068 nan 8.230 nan 0.000 0.435 526 R N -0.749 119.798 120.500 0.079 0.000 2.091 526 R HA -0.190 4.150 4.340 -0.001 0.000 0.238 526 R C 2.202 178.556 176.300 0.090 0.000 1.136 526 R CA 1.808 57.966 56.100 0.097 0.000 0.959 526 R CB -1.489 28.885 30.300 0.122 0.000 0.856 526 R HN 0.510 nan 8.270 nan 0.000 0.437 527 F N 1.901 121.831 119.950 -0.034 0.000 2.171 527 F HA -0.123 4.403 4.527 -0.001 0.000 0.300 527 F C 1.803 177.537 175.800 -0.111 0.000 1.090 527 F CA 1.323 59.297 58.000 -0.043 0.000 1.293 527 F CB -0.244 38.754 39.000 -0.003 0.000 1.013 527 F HN 0.017 nan 8.300 nan 0.000 0.486 528 N N 0.703 119.287 118.700 -0.192 0.000 2.244 528 N HA -0.164 4.575 4.740 -0.001 0.000 0.183 528 N C 1.672 177.031 175.510 -0.253 0.000 1.016 528 N CA 1.562 54.416 53.050 -0.326 0.000 0.866 528 N CB -0.275 37.983 38.487 -0.382 0.000 0.980 528 N HN 0.548 nan 8.380 nan 0.000 0.430 529 E N 0.535 120.652 120.200 -0.138 0.000 2.077 529 E HA -0.106 4.244 4.350 -0.001 0.000 0.193 529 E C 2.072 178.613 176.600 -0.098 0.000 0.989 529 E CA 0.762 57.124 56.400 -0.064 0.000 0.800 529 E CB -0.014 29.709 29.700 0.037 0.000 0.746 529 E HN 0.074 nan 8.360 nan 0.000 0.452 530 V N 1.844 121.675 119.914 -0.138 0.000 2.255 530 V HA -0.284 3.836 4.120 -0.001 0.000 0.247 530 V C 2.371 178.334 176.094 -0.220 0.000 1.051 530 V CA 1.707 63.914 62.300 -0.156 0.000 1.018 530 V CB -0.516 31.205 31.823 -0.170 0.000 0.641 530 V HN 0.256 nan 8.190 nan 0.000 0.445 531 L N -0.291 120.716 121.223 -0.360 0.000 2.046 531 L HA -0.197 4.143 4.340 -0.001 0.000 0.208 531 L C 2.581 179.325 176.870 -0.210 0.000 1.077 531 L CA 1.732 56.379 54.840 -0.322 0.000 0.747 531 L CB -0.741 41.055 42.059 -0.439 0.000 0.896 531 L HN 0.301 nan 8.230 nan 0.000 0.432 532 K N 0.981 121.265 120.400 -0.194 0.000 1.978 532 K HA -0.178 4.141 4.320 -0.001 0.000 0.214 532 K C 1.870 178.422 176.600 -0.080 0.000 1.049 532 K CA 1.755 57.962 56.287 -0.134 0.000 0.939 532 K CB -0.523 31.903 32.500 -0.123 0.000 0.721 532 K HN 0.114 nan 8.250 nan 0.000 0.441 533 N N 0.520 119.188 118.700 -0.054 0.000 2.192 533 N HA -0.184 4.555 4.740 -0.001 0.000 0.188 533 N C 1.563 177.054 175.510 -0.032 0.000 1.013 533 N CA 1.460 54.496 53.050 -0.022 0.000 0.863 533 N CB -0.408 38.076 38.487 -0.005 0.000 0.990 533 N HN 0.410 nan 8.380 nan 0.000 0.430 534 A N 0.731 123.516 122.820 -0.058 0.000 1.855 534 A HA -0.106 4.213 4.320 -0.001 0.000 0.215 534 A C 2.418 179.980 177.584 -0.037 0.000 1.191 534 A CA 2.038 54.045 52.037 -0.050 0.000 0.613 534 A CB -0.930 18.027 19.000 -0.072 0.000 0.829 534 A HN 0.207 nan 8.150 nan 0.000 0.442 535 V N -2.425 117.461 119.914 -0.048 0.000 2.809 535 V HA 0.034 4.154 4.120 -0.001 0.000 0.256 535 V C 0.557 176.642 176.094 -0.014 0.000 1.080 535 V CA 2.003 64.285 62.300 -0.030 0.000 1.102 535 V CB -0.442 31.354 31.823 -0.046 0.000 0.705 535 V HN 0.450 nan 8.190 nan 0.000 0.475 536 D N 0.111 120.502 120.400 -0.014 0.000 2.443 536 D HA 0.386 5.026 4.640 -0.001 0.000 0.281 536 D C -1.918 174.393 176.300 0.019 0.000 1.210 536 D CA -2.127 51.877 54.000 0.005 0.000 0.875 536 D CB 1.520 42.319 40.800 -0.002 0.000 1.125 536 D HN 0.137 nan 8.370 nan 0.000 0.503 537 P HA -0.072 nan 4.420 nan 0.000 0.218 537 P C 0.738 178.060 177.300 0.037 0.000 1.148 537 P CA 0.870 63.983 63.100 0.022 0.000 0.822 537 P CB 0.372 32.081 31.700 0.016 0.000 0.784 538 N N -1.738 116.992 118.700 0.049 0.000 2.353 538 N HA 0.102 4.842 4.740 -0.001 0.000 0.185 538 N C 1.111 176.683 175.510 0.103 0.000 1.098 538 N CA 0.984 54.074 53.050 0.067 0.000 0.872 538 N CB -0.343 38.185 38.487 0.069 0.000 0.970 538 N HN 0.093 nan 8.380 nan 0.000 0.467 539 G N 1.905 110.770 108.800 0.107 0.000 2.246 539 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.273 539 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.273 539 G C 0.855 175.852 174.900 0.160 0.000 1.055 539 G CA 0.695 45.888 45.100 0.156 0.000 0.851 539 G HN 0.540 nan 8.290 nan 0.000 0.500 540 I N -2.984 117.653 120.570 0.112 0.000 2.852 540 I HA 0.346 4.516 4.170 -0.001 0.000 0.264 540 I C 0.712 176.872 176.117 0.071 0.000 1.179 540 I CA -0.005 61.369 61.300 0.123 0.000 1.480 540 I CB 0.016 38.102 38.000 0.142 0.000 1.111 540 I HN 0.021 nan 8.210 nan 0.000 0.441 541 I N 3.578 124.157 120.570 0.014 0.000 2.347 541 I HA 0.241 4.411 4.170 -0.001 0.000 0.294 541 I C 1.056 177.114 176.117 -0.098 0.000 1.090 541 I CA -0.451 60.827 61.300 -0.038 0.000 1.314 541 I CB -0.499 37.465 38.000 -0.060 0.000 1.423 541 I HN 0.394 nan 8.210 nan 0.000 0.503 542 A N 7.987 130.764 122.820 -0.072 0.000 2.203 542 A HA -0.129 4.191 4.320 -0.001 0.000 0.279 542 A C -2.147 175.322 177.584 -0.191 0.000 1.396 542 A CA -0.525 51.474 52.037 -0.064 0.000 0.747 542 A CB -1.741 17.049 19.000 -0.350 0.000 1.151 542 A HN 0.540 nan 8.150 nan 0.000 0.345 543 P HA 0.344 nan 4.420 nan 0.000 0.263 543 P C 1.293 177.990 177.300 -1.005 0.000 1.195 543 P CA 1.658 64.366 63.100 -0.653 0.000 0.762 543 P CB 0.641 31.675 31.700 -1.109 0.000 0.799 544 G N 1.942 109.916 108.800 -1.377 0.000 2.259 544 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.217 544 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.217 544 G C 0.283 174.749 174.900 -0.723 0.000 1.001 544 G CA -0.087 43.994 45.100 -1.699 0.000 0.627 544 G HN 0.707 nan 8.290 nan 0.000 0.501 545 K N 1.867 122.036 120.400 -0.385 0.000 2.491 545 K HA 0.425 4.745 4.320 -0.001 0.000 0.279 545 K C 1.255 177.699 176.600 -0.260 0.000 1.026 545 K CA 1.286 57.448 56.287 -0.207 0.000 1.070 545 K CB -0.093 32.260 32.500 -0.246 0.000 0.887 545 K HN 0.963 nan 8.250 nan 0.000 0.481 546 S N 2.623 118.213 115.700 -0.184 0.000 3.380 546 S HA -0.200 4.270 4.470 -0.001 0.000 0.300 546 S C 0.932 175.443 174.600 -0.148 0.000 1.255 546 S CA 1.312 59.417 58.200 -0.159 0.000 0.963 546 S CB -2.089 60.999 63.200 -0.187 0.000 1.106 546 S HN 1.416 nan 8.310 nan 0.000 0.629 547 G N -1.249 107.429 108.800 -0.204 0.000 2.179 547 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.260 547 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.260 547 G C 0.020 174.766 174.900 -0.256 0.000 0.977 547 G CA -0.039 44.968 45.100 -0.154 0.000 0.641 547 G HN 1.352 nan 8.290 nan 0.000 0.533 548 V N 0.614 120.315 119.914 -0.356 0.000 2.372 548 V HA 0.485 4.604 4.120 -0.001 0.000 0.261 548 V C 0.181 176.083 176.094 -0.321 0.000 1.055 548 V CA -0.279 61.870 62.300 -0.252 0.000 0.930 548 V CB -0.052 31.629 31.823 -0.236 0.000 1.031 548 V HN 0.289 nan 8.190 nan 0.000 0.479 549 W N 7.308 128.620 121.300 0.020 0.000 2.349 549 W HA 0.487 5.147 4.660 -0.001 0.000 0.309 549 W C -1.807 174.780 176.519 0.114 0.000 1.083 549 W CA -2.204 55.181 57.345 0.068 0.000 1.224 549 W CB 1.118 30.734 29.460 0.261 0.000 1.256 549 W HN 0.340 nan 8.180 nan 0.000 0.461 550 P HA -0.023 nan 4.420 nan 0.000 0.271 550 P C 0.712 178.176 177.300 0.275 0.000 1.233 550 P CA 0.102 63.336 63.100 0.223 0.000 0.789 550 P CB 1.009 32.822 31.700 0.188 0.000 0.951 551 S N -0.530 115.263 115.700 0.155 0.000 2.653 551 S HA -0.126 4.343 4.470 -0.001 0.000 0.233 551 S C 1.142 175.791 174.600 0.080 0.000 0.970 551 S CA 0.337 58.593 58.200 0.094 0.000 0.947 551 S CB -0.816 62.409 63.200 0.041 0.000 0.771 551 S HN 0.532 nan 8.310 nan 0.000 0.538 552 Q N -0.424 119.448 119.800 0.120 0.000 2.219 552 Q HA 0.214 4.554 4.340 -0.001 0.000 0.209 552 Q C -0.874 175.051 176.000 -0.125 0.000 0.854 552 Q CA -0.114 55.682 55.803 -0.012 0.000 0.960 552 Q CB -0.631 28.075 28.738 -0.053 0.000 1.116 552 Q HN 0.686 nan 8.270 nan 0.000 0.500 553 Y N 2.321 122.704 120.300 0.138 0.000 2.841 553 Y HA 0.272 4.822 4.550 -0.001 0.000 0.329 553 Y C 0.430 176.429 175.900 0.166 0.000 1.062 553 Y CA -0.945 57.272 58.100 0.195 0.000 1.281 553 Y CB 1.057 39.573 38.460 0.093 0.000 1.147 553 Y HN 0.021 nan 8.280 nan 0.000 0.521 554 S N 1.907 117.720 115.700 0.188 0.000 2.563 554 S HA -0.110 4.360 4.470 -0.001 0.000 0.294 554 S C 1.138 175.781 174.600 0.073 0.000 1.279 554 S CA -0.227 57.996 58.200 0.038 0.000 1.069 554 S CB 0.463 63.654 63.200 -0.015 0.000 0.828 554 S HN 0.652 nan 8.310 nan 0.000 0.497 555 H N 3.721 122.752 119.070 -0.066 0.000 2.387 555 H HA -0.033 4.523 4.556 -0.001 0.000 0.299 555 H C 2.061 177.315 175.328 -0.123 0.000 1.090 555 H CA 1.528 57.490 56.048 -0.144 0.000 1.332 555 H CB -0.773 28.962 29.762 -0.046 0.000 1.386 555 H HN 0.502 nan 8.280 nan 0.000 0.516 556 V N 0.521 120.456 119.914 0.036 0.000 2.594 556 V HA -0.204 3.916 4.120 -0.001 0.000 0.253 556 V C 2.085 178.117 176.094 -0.103 0.000 1.069 556 V CA 2.135 64.421 62.300 -0.023 0.000 1.082 556 V CB -0.504 31.302 31.823 -0.028 0.000 0.680 556 V HN 0.505 nan 8.190 nan 0.000 0.469 557 T N -2.210 112.240 114.554 -0.173 0.000 2.901 557 T HA -0.086 4.263 4.350 -0.001 0.000 0.252 557 T C 1.304 175.693 174.700 -0.518 0.000 1.035 557 T CA 0.976 62.850 62.100 -0.376 0.000 1.142 557 T CB -0.184 68.378 68.868 -0.511 0.000 0.869 557 T HN 0.608 nan 8.240 nan 0.000 0.442 558 W N 1.629 122.767 121.300 -0.270 0.000 3.211 558 W HA 0.366 5.026 4.660 -0.000 0.000 0.292 558 W C 0.618 176.923 176.519 -0.357 0.000 1.268 558 W CA -0.691 56.403 57.345 -0.418 0.000 1.702 558 W CB 0.296 29.098 29.460 -1.096 0.000 1.092 558 W HN -0.136 nan 8.180 nan 0.000 0.643 559 K N 1.648 122.001 120.400 -0.077 0.000 2.322 559 K HA 0.332 4.652 4.320 -0.001 0.000 0.283 559 K C -0.126 176.568 176.600 0.156 0.000 1.042 559 K CA -0.121 56.212 56.287 0.077 0.000 0.958 559 K CB 0.870 33.388 32.500 0.031 0.000 0.984 559 K HN -0.122 nan 8.250 nan 0.000 0.473 560 L N 0.000 121.368 121.223 0.241 0.000 2.949 560 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 560 L CA 0.000 54.959 54.840 0.199 0.000 0.813 560 L CB 0.000 42.195 42.059 0.227 0.000 0.961 560 L HN 0.000 nan 8.230 nan 0.000 0.502