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 2vak_1_A DATA FIRST_RESID 4 DATA SEQUENCE ISEFGSTMAR AIYDFFSTPF GNRGLATNRT QLSSLLSSSN SPWQXXXXXX DATA SEQUENCE XXXXXXXIVS TPEAPYPGSL MYQESMLHSA TVPGVLGSRD AWRTFNVFGL DATA SEQUENCE SWTDEGLSGL VAAQDPPPAA PYQPASAQWS DLLNYPRWAN RRRELQSKYP DATA SEQUENCE LLLRSTLLSA MRAGPVLYVE TWPNMISGRL ADWFMSQYGN NFVDMCARLT DATA SEQUENCE QSCSNMPVEP DGNYDQQMRA LISLWLLSYI GVVNQTNTIS GFYFSSKTRG DATA SEQUENCE QALDSWTLFY TTNTNRVQIT QRHFAYVCAR SPDWNVDKSW IAAANLTAIV DATA SEQUENCE MACRQPPVFA NQGVINQAQN RPGFSMNGGT PVHELNLLTT AQECIRQWVM DATA SEQUENCE AGLVSAAKGQ ALTQEANDFS NLIQADLGQI KAQDDALYNQ QPGYARRIKP DATA SEQUENCE FVNGDWTPGM TAQALAVLAT FTA 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 4 I HA 0.000 nan 4.170 nan 0.000 0.288 4 I C 0.000 176.057 176.117 -0.100 0.000 1.063 4 I CA 0.000 61.253 61.300 -0.078 0.000 1.566 4 I CB 0.000 37.932 38.000 -0.113 0.000 1.214 5 S N 3.162 118.806 115.700 -0.093 0.000 2.560 5 S HA 0.172 4.642 4.470 0.000 0.000 0.284 5 S C 1.361 175.853 174.600 -0.179 0.000 1.327 5 S CA 0.478 58.627 58.200 -0.085 0.000 1.055 5 S CB 0.647 63.845 63.200 -0.002 0.000 0.868 5 S HN 0.837 nan 8.310 nan 0.000 0.506 6 E N 3.183 123.174 120.200 -0.349 0.000 2.333 6 E HA -0.154 4.196 4.350 0.000 0.000 0.198 6 E C 0.623 176.865 176.600 -0.596 0.000 1.007 6 E CA 1.343 57.416 56.400 -0.545 0.000 0.845 6 E CB -0.287 28.963 29.700 -0.749 0.000 0.766 6 E HN 0.772 nan 8.360 nan 0.000 0.507 7 F N 0.645 120.540 119.950 -0.092 0.000 2.582 7 F HA 0.349 4.876 4.527 0.000 0.000 0.290 7 F C 1.668 177.381 175.800 -0.144 0.000 1.115 7 F CA 0.521 58.454 58.000 -0.112 0.000 1.445 7 F CB 0.390 39.331 39.000 -0.099 0.000 1.126 7 F HN 0.231 nan 8.300 nan 0.000 0.574 8 G N 0.115 108.916 108.800 0.001 0.000 2.488 8 G HA2 -0.212 3.748 3.960 0.000 0.000 0.237 8 G HA3 -0.212 3.748 3.960 0.000 0.000 0.237 8 G C -0.255 174.606 174.900 -0.066 0.000 1.209 8 G CA -0.275 44.782 45.100 -0.072 0.000 0.929 8 G HN 0.101 nan 8.290 nan 0.000 0.578 9 S N 1.100 116.752 115.700 -0.081 0.000 2.475 9 S HA 0.508 4.978 4.470 0.000 0.000 0.249 9 S C 1.226 175.779 174.600 -0.077 0.000 1.298 9 S CA 0.608 58.759 58.200 -0.082 0.000 1.125 9 S CB 0.937 64.089 63.200 -0.080 0.000 1.054 9 S HN 1.360 nan 8.310 nan 0.000 0.484 10 T N -0.478 114.032 114.554 -0.074 0.000 3.081 10 T HA 0.235 4.585 4.350 0.000 0.000 0.255 10 T C 0.646 175.294 174.700 -0.088 0.000 1.113 10 T CA 0.045 62.094 62.100 -0.086 0.000 1.082 10 T CB -0.200 68.613 68.868 -0.092 0.000 0.939 10 T HN 0.403 nan 8.240 nan 0.000 0.506 11 M N 2.610 122.160 119.600 -0.083 0.000 2.227 11 M HA 0.524 5.004 4.480 0.000 0.000 0.349 11 M C 0.485 176.738 176.300 -0.077 0.000 1.443 11 M CA -0.313 54.939 55.300 -0.080 0.000 1.110 11 M CB 0.310 32.864 32.600 -0.077 0.000 1.773 11 M HN 0.363 nan 8.290 nan 0.000 0.463 12 A N 4.364 127.141 122.820 -0.070 0.000 2.507 12 A HA 0.202 4.522 4.320 0.000 0.000 0.235 12 A C 0.040 177.575 177.584 -0.082 0.000 1.070 12 A CA -0.219 51.780 52.037 -0.064 0.000 0.768 12 A CB 0.173 19.146 19.000 -0.046 0.000 1.011 12 A HN 0.885 nan 8.150 nan 0.000 0.502 13 R N 0.982 121.420 120.500 -0.103 0.000 2.442 13 R HA 0.444 4.784 4.340 0.000 0.000 0.291 13 R C 0.395 176.561 176.300 -0.223 0.000 1.069 13 R CA 0.998 56.972 56.100 -0.210 0.000 1.022 13 R CB 0.564 30.684 30.300 -0.300 0.000 0.976 13 R HN 0.766 nan 8.270 nan 0.000 0.443 14 A N 5.247 127.917 122.820 -0.251 0.000 2.340 14 A HA 0.333 4.653 4.320 0.000 0.000 0.213 14 A C 0.149 177.638 177.584 -0.158 0.000 1.299 14 A CA -0.292 51.675 52.037 -0.116 0.000 0.994 14 A CB 0.212 19.183 19.000 -0.048 0.000 1.132 14 A HN 0.605 nan 8.150 nan 0.000 0.519 15 I N 0.429 120.801 120.570 -0.329 0.000 2.354 15 I HA 0.326 4.496 4.170 0.000 0.000 0.292 15 I C -1.256 174.585 176.117 -0.459 0.000 0.989 15 I CA -0.620 60.550 61.300 -0.217 0.000 1.188 15 I CB 1.266 39.209 38.000 -0.096 0.000 1.342 15 I HN 0.210 nan 8.210 nan 0.000 0.457 16 Y N 3.829 124.055 120.300 -0.123 0.000 2.915 16 Y HA 0.318 4.868 4.550 0.000 0.000 0.350 16 Y C -0.270 175.697 175.900 0.111 0.000 1.061 16 Y CA -0.918 57.024 58.100 -0.264 0.000 1.179 16 Y CB 0.280 38.459 38.460 -0.470 0.000 1.180 16 Y HN 0.461 nan 8.280 nan 0.000 0.605 17 D N 1.573 122.191 120.400 0.364 0.000 2.225 17 D HA 0.288 4.928 4.640 0.000 0.000 0.249 17 D C -1.046 175.674 176.300 0.700 0.000 1.052 17 D CA -0.091 54.190 54.000 0.467 0.000 0.909 17 D CB 1.442 42.401 40.800 0.265 0.000 1.186 17 D HN 0.260 nan 8.370 nan 0.000 0.431 18 F N 2.078 122.348 119.950 0.534 0.000 2.556 18 F HA 0.517 5.044 4.527 0.000 0.000 0.314 18 F C -1.796 174.151 175.800 0.245 0.000 1.106 18 F CA -1.158 57.064 58.000 0.370 0.000 0.911 18 F CB 1.237 40.415 39.000 0.297 0.000 1.190 18 F HN 0.116 nan 8.300 nan 0.000 0.448 19 F N 5.284 124.559 119.950 -1.124 0.000 2.427 19 F HA 0.514 5.041 4.527 0.000 0.000 0.348 19 F C -0.232 174.888 175.800 -1.133 0.000 1.125 19 F CA -0.738 56.481 58.000 -1.302 0.000 0.989 19 F CB 1.222 39.162 39.000 -1.766 0.000 1.165 19 F HN 0.536 nan 8.300 nan 0.000 0.442 20 S N 3.191 118.243 115.700 -1.081 0.000 2.603 20 S HA 0.345 4.815 4.470 0.000 0.000 0.268 20 S C 0.026 174.218 174.600 -0.680 0.000 1.317 20 S CA -0.680 57.179 58.200 -0.568 0.000 1.012 20 S CB 0.732 63.869 63.200 -0.105 0.000 0.926 20 S HN 0.667 nan 8.310 nan 0.000 0.539 21 T N 4.305 118.700 114.554 -0.265 0.000 2.853 21 T HA 0.263 4.613 4.350 0.000 0.000 0.298 21 T C -2.415 172.202 174.700 -0.139 0.000 0.978 21 T CA -0.454 61.556 62.100 -0.151 0.000 1.152 21 T CB -0.024 68.828 68.868 -0.025 0.000 0.914 21 T HN 0.522 nan 8.240 nan 0.000 0.539 22 P HA 0.210 nan 4.420 nan 0.000 0.264 22 P C -0.633 176.670 177.300 0.006 0.000 1.193 22 P CA -0.096 62.906 63.100 -0.164 0.000 0.763 22 P CB 0.129 31.788 31.700 -0.068 0.000 0.810 23 F N 0.527 120.468 119.950 -0.016 0.000 2.654 23 F HA 0.890 5.418 4.527 0.000 0.000 0.334 23 F C 0.572 176.404 175.800 0.055 0.000 1.078 23 F CA -1.012 56.996 58.000 0.013 0.000 0.986 23 F CB 0.556 39.590 39.000 0.057 0.000 1.362 23 F HN 0.333 nan 8.300 nan 0.000 0.498 24 G N 0.032 109.102 108.800 0.451 0.000 2.940 24 G HA2 0.150 4.110 3.960 0.000 0.000 0.164 24 G HA3 0.150 4.110 3.960 0.000 0.000 0.164 24 G C 0.003 175.180 174.900 0.462 0.000 1.326 24 G CA -0.655 44.673 45.100 0.380 0.000 1.020 24 G HN 0.589 nan 8.290 nan 0.000 0.586 25 N N 0.022 118.925 118.700 0.338 0.000 2.289 25 N HA -0.056 4.685 4.740 0.000 0.000 0.184 25 N C 1.698 177.274 175.510 0.110 0.000 1.016 25 N CA 0.594 53.751 53.050 0.178 0.000 0.872 25 N CB 0.038 38.576 38.487 0.086 0.000 0.973 25 N HN 0.263 nan 8.380 nan 0.000 0.433 26 R N 0.431 120.955 120.500 0.040 0.000 2.507 26 R HA 0.297 4.637 4.340 0.000 0.000 0.298 26 R C 0.843 177.147 176.300 0.007 0.000 0.999 26 R CA 0.109 56.137 56.100 -0.120 0.000 1.082 26 R CB 0.137 30.142 30.300 -0.492 0.000 1.246 26 R HN 0.121 nan 8.270 nan 0.000 0.553 27 G N 1.357 110.238 108.800 0.135 0.000 2.660 27 G HA2 -0.277 3.683 3.960 0.000 0.000 0.215 27 G HA3 -0.277 3.683 3.960 0.000 0.000 0.215 27 G C -0.762 173.821 174.900 -0.528 0.000 1.345 27 G CA -0.721 44.190 45.100 -0.315 0.000 0.877 27 G HN 0.209 nan 8.290 nan 0.000 0.549 28 L N 1.123 121.726 121.223 -1.033 0.000 2.534 28 L HA 0.536 4.876 4.340 0.000 0.000 0.271 28 L C 1.735 178.560 176.870 -0.074 0.000 1.178 28 L CA 1.120 55.663 54.840 -0.494 0.000 0.907 28 L CB 0.453 42.349 42.059 -0.271 0.000 1.164 28 L HN 1.745 nan 8.230 nan 0.000 0.482 29 A N 3.804 126.637 122.820 0.022 0.000 2.711 29 A HA 0.310 4.630 4.320 0.000 0.000 0.242 29 A C 0.630 178.167 177.584 -0.078 0.000 1.607 29 A CA 0.526 52.621 52.037 0.097 0.000 1.370 29 A CB -0.924 18.074 19.000 -0.002 0.000 0.934 29 A HN 0.767 nan 8.150 nan 0.000 0.628 30 T N -0.602 113.808 114.554 -0.240 0.000 2.841 30 T HA 0.592 4.942 4.350 0.000 0.000 0.296 30 T C -0.664 173.629 174.700 -0.679 0.000 1.166 30 T CA -0.334 61.498 62.100 -0.447 0.000 1.007 30 T CB 1.087 69.650 68.868 -0.510 0.000 1.253 30 T HN 0.704 nan 8.240 nan 0.000 0.511 31 N N 0.194 118.531 118.700 -0.605 0.000 3.278 31 N HA 0.410 5.150 4.740 0.000 0.000 0.307 31 N C 0.449 175.717 175.510 -0.404 0.000 1.551 31 N CA -1.013 51.726 53.050 -0.518 0.000 0.794 31 N CB 0.739 39.104 38.487 -0.205 0.000 1.770 31 N HN 0.509 nan 8.380 nan 0.000 0.612 32 R N -1.207 119.190 120.500 -0.172 0.000 2.193 32 R HA 0.096 4.436 4.340 0.000 0.000 0.213 32 R C 0.539 176.774 176.300 -0.109 0.000 1.055 32 R CA 1.402 57.442 56.100 -0.100 0.000 0.995 32 R CB -0.417 29.879 30.300 -0.006 0.000 0.893 32 R HN 0.702 nan 8.270 nan 0.000 0.459 33 T N 0.403 114.892 114.554 -0.109 0.000 2.857 33 T HA -0.141 4.209 4.350 0.000 0.000 0.266 33 T C 1.564 176.194 174.700 -0.115 0.000 1.048 33 T CA 1.158 63.202 62.100 -0.094 0.000 1.139 33 T CB -0.027 68.794 68.868 -0.078 0.000 0.874 33 T HN 0.353 nan 8.240 nan 0.000 0.455 34 Q N 0.395 120.100 119.800 -0.158 0.000 2.020 34 Q HA -0.005 4.335 4.340 0.000 0.000 0.198 34 Q C 2.362 178.261 176.000 -0.168 0.000 0.974 34 Q CA 1.021 56.724 55.803 -0.166 0.000 0.829 34 Q CB -0.216 28.396 28.738 -0.210 0.000 0.894 34 Q HN 0.449 nan 8.270 nan 0.000 0.433 35 L N 0.334 121.432 121.223 -0.208 0.000 2.013 35 L HA -0.225 4.115 4.340 0.000 0.000 0.212 35 L C 2.591 179.372 176.870 -0.148 0.000 1.073 35 L CA 1.309 56.034 54.840 -0.192 0.000 0.753 35 L CB -0.636 41.299 42.059 -0.207 0.000 0.890 35 L HN 0.222 nan 8.230 nan 0.000 0.432 36 S N 0.013 115.639 115.700 -0.124 0.000 2.374 36 S HA -0.226 4.244 4.470 0.000 0.000 0.227 36 S C 2.156 176.706 174.600 -0.084 0.000 1.037 36 S CA 1.789 59.932 58.200 -0.095 0.000 1.024 36 S CB -0.349 62.806 63.200 -0.075 0.000 0.861 36 S HN 0.670 nan 8.310 nan 0.000 0.456 37 S N 1.479 117.128 115.700 -0.085 0.000 2.447 37 S HA 0.042 4.512 4.470 0.000 0.000 0.233 37 S C 1.596 176.157 174.600 -0.065 0.000 1.006 37 S CA 0.698 58.858 58.200 -0.068 0.000 0.957 37 S CB -0.573 62.587 63.200 -0.067 0.000 0.773 37 S HN 0.511 nan 8.310 nan 0.000 0.507 38 L N 0.551 121.723 121.223 -0.085 0.000 2.492 38 L HA 0.313 4.653 4.340 0.000 0.000 0.223 38 L C 0.896 177.722 176.870 -0.073 0.000 1.132 38 L CA -0.025 54.767 54.840 -0.081 0.000 0.850 38 L CB -0.535 41.457 42.059 -0.113 0.000 0.966 38 L HN 0.259 nan 8.230 nan 0.000 0.454 39 L N -0.196 120.981 121.223 -0.077 0.000 2.472 39 L HA 0.152 4.492 4.340 0.000 0.000 0.260 39 L C 0.963 177.811 176.870 -0.035 0.000 1.209 39 L CA -0.180 54.618 54.840 -0.070 0.000 0.817 39 L CB 0.770 42.783 42.059 -0.076 0.000 1.106 39 L HN 0.145 nan 8.230 nan 0.000 0.479 40 S N -0.908 114.781 115.700 -0.018 0.000 2.672 40 S HA 0.140 4.610 4.470 0.000 0.000 0.276 40 S C 1.143 175.747 174.600 0.006 0.000 1.207 40 S CA -0.185 58.017 58.200 0.003 0.000 1.002 40 S CB 1.571 64.785 63.200 0.025 0.000 0.998 40 S HN 0.706 nan 8.310 nan 0.000 0.542 41 S N 1.528 117.235 115.700 0.010 0.000 2.409 41 S HA -0.222 4.249 4.470 0.000 0.000 0.237 41 S C 1.671 176.282 174.600 0.019 0.000 1.060 41 S CA 1.689 59.896 58.200 0.012 0.000 1.052 41 S CB -1.460 61.748 63.200 0.014 0.000 0.871 41 S HN 1.358 nan 8.310 nan 0.000 0.465 42 S N 1.191 116.909 115.700 0.029 0.000 2.634 42 S HA 0.237 4.707 4.470 0.000 0.000 0.221 42 S C 0.406 175.034 174.600 0.046 0.000 0.952 42 S CA -0.049 58.175 58.200 0.040 0.000 0.930 42 S CB -0.541 62.690 63.200 0.052 0.000 0.780 42 S HN 0.442 nan 8.310 nan 0.000 0.498 43 N N 0.436 119.152 118.700 0.027 0.000 2.901 43 N HA -0.148 4.592 4.740 0.000 0.000 0.248 43 N C -0.389 175.131 175.510 0.018 0.000 1.044 43 N CA 1.096 54.154 53.050 0.014 0.000 0.847 43 N CB -1.879 36.624 38.487 0.028 0.000 1.127 43 N HN 0.571 nan 8.380 nan 0.000 0.562 44 S N 0.982 116.702 115.700 0.033 0.000 2.475 44 S HA 0.470 4.940 4.470 0.000 0.000 0.281 44 S C -1.473 173.081 174.600 -0.076 0.000 1.198 44 S CA -1.236 56.992 58.200 0.048 0.000 1.063 44 S CB 1.366 64.648 63.200 0.135 0.000 0.972 44 S HN -0.018 nan 8.310 nan 0.000 0.486 45 P HA 0.203 nan 4.420 nan 0.000 0.255 45 P C 0.046 177.118 177.300 -0.379 0.000 1.248 45 P CA 0.309 63.148 63.100 -0.435 0.000 0.807 45 P CB -0.071 31.227 31.700 -0.669 0.000 1.150 46 W N -0.447 120.941 121.300 0.148 0.000 3.107 46 W HA 0.285 4.945 4.660 0.000 0.000 0.293 46 W C 1.201 177.760 176.519 0.068 0.000 1.239 46 W CA -0.406 57.001 57.345 0.103 0.000 1.653 46 W CB -0.289 29.219 29.460 0.080 0.000 1.068 46 W HN -0.104 nan 8.180 nan 0.000 0.615 62 V N 3.546 123.461 119.914 0.002 0.000 2.248 62 V HA 0.283 4.403 4.120 0.000 0.000 0.309 62 V C 0.983 177.065 176.094 -0.020 0.000 1.722 62 V CA 0.386 62.683 62.300 -0.005 0.000 1.693 62 V CB 0.042 31.869 31.823 0.005 0.000 1.470 62 V HN 0.776 nan 8.190 nan 0.000 0.518 63 S N 2.670 118.341 115.700 -0.049 0.000 2.566 63 S HA 0.226 4.696 4.470 0.000 0.000 0.280 63 S C 0.247 174.817 174.600 -0.050 0.000 1.343 63 S CA 0.859 59.011 58.200 -0.080 0.000 1.036 63 S CB 0.747 63.861 63.200 -0.143 0.000 0.866 63 S HN 0.903 nan 8.310 nan 0.000 0.526 64 T N 3.259 117.787 114.554 -0.044 0.000 2.864 64 T HA 0.575 4.925 4.350 0.000 0.000 0.299 64 T C -2.229 172.457 174.700 -0.023 0.000 1.166 64 T CA -1.601 60.483 62.100 -0.028 0.000 1.007 64 T CB 1.352 70.210 68.868 -0.018 0.000 1.219 64 T HN 0.359 nan 8.240 nan 0.000 0.506 65 P HA -0.065 nan 4.420 nan 0.000 0.216 65 P C 1.357 178.659 177.300 0.003 0.000 1.153 65 P CA 0.867 63.966 63.100 -0.002 0.000 0.848 65 P CB 0.182 31.883 31.700 0.001 0.000 0.787 66 E N 0.273 120.468 120.200 -0.010 0.000 2.106 66 E HA -0.068 4.282 4.350 0.000 0.000 0.192 66 E C 0.821 177.416 176.600 -0.010 0.000 0.984 66 E CA 1.145 57.532 56.400 -0.021 0.000 0.806 66 E CB -0.815 28.863 29.700 -0.036 0.000 0.750 66 E HN 0.134 nan 8.360 nan 0.000 0.458 67 A N 2.452 125.273 122.820 0.001 0.000 2.978 67 A HA 0.376 4.696 4.320 0.000 0.000 0.341 67 A C -1.870 175.727 177.584 0.022 0.000 1.105 67 A CA -1.399 50.653 52.037 0.024 0.000 0.819 67 A CB 0.922 19.934 19.000 0.021 0.000 1.080 67 A HN -0.095 nan 8.150 nan 0.000 0.476 68 P HA -0.159 nan 4.420 nan 0.000 0.216 68 P C -0.088 177.097 177.300 -0.190 0.000 1.150 68 P CA 1.634 64.709 63.100 -0.041 0.000 0.843 68 P CB 0.018 31.772 31.700 0.089 0.000 0.787 69 Y N -2.665 117.624 120.300 -0.019 0.000 2.598 69 Y HA 0.328 4.878 4.550 0.000 0.000 0.340 69 Y C -1.371 174.519 175.900 -0.017 0.000 1.038 69 Y CA -2.471 55.609 58.100 -0.033 0.000 1.100 69 Y CB 0.415 38.813 38.460 -0.102 0.000 1.281 69 Y HN -0.300 nan 8.280 nan 0.000 0.488 70 P HA -0.142 nan 4.420 nan 0.000 0.216 70 P C 1.316 178.700 177.300 0.140 0.000 1.153 70 P CA 2.167 65.349 63.100 0.136 0.000 0.858 70 P CB 0.107 31.901 31.700 0.156 0.000 0.789 71 G N -1.226 107.610 108.800 0.059 0.000 2.776 71 G HA2 -0.138 3.822 3.960 0.000 0.000 0.209 71 G HA3 -0.138 3.822 3.960 0.000 0.000 0.209 71 G C 1.466 176.412 174.900 0.077 0.000 1.145 71 G CA 0.354 45.451 45.100 -0.005 0.000 0.791 71 G HN 0.193 nan 8.290 nan 0.000 0.530 72 S N 0.317 116.072 115.700 0.091 0.000 2.357 72 S HA 0.016 4.486 4.470 0.000 0.000 0.221 72 S C 2.249 176.944 174.600 0.158 0.000 1.031 72 S CA 0.471 58.751 58.200 0.132 0.000 0.982 72 S CB -0.170 63.099 63.200 0.114 0.000 0.853 72 S HN 0.353 nan 8.310 nan 0.000 0.458 73 L N 0.763 122.061 121.223 0.124 0.000 2.131 73 L HA -0.092 4.248 4.340 0.000 0.000 0.210 73 L C 2.554 179.489 176.870 0.109 0.000 1.092 73 L CA 1.012 55.904 54.840 0.088 0.000 0.759 73 L CB -0.484 41.616 42.059 0.069 0.000 0.903 73 L HN 0.346 nan 8.230 nan 0.000 0.435 74 M N -1.167 118.550 119.600 0.195 0.000 2.065 74 M HA -0.290 4.190 4.480 0.000 0.000 0.259 74 M C 2.459 178.894 176.300 0.226 0.000 1.069 74 M CA 2.067 57.506 55.300 0.232 0.000 1.110 74 M CB -0.332 32.484 32.600 0.359 0.000 1.328 74 M HN 0.179 nan 8.290 nan 0.000 0.405 75 Y N 1.003 121.404 120.300 0.169 0.000 2.145 75 Y HA -0.284 4.266 4.550 0.000 0.000 0.286 75 Y C 2.234 178.151 175.900 0.028 0.000 1.145 75 Y CA 2.006 60.176 58.100 0.117 0.000 1.148 75 Y CB -0.533 38.010 38.460 0.137 0.000 0.981 75 Y HN 0.321 nan 8.280 nan 0.000 0.507 76 Q N -0.363 119.405 119.800 -0.053 0.000 2.224 76 Q HA -0.191 4.149 4.340 0.000 0.000 0.203 76 Q C 2.042 177.886 176.000 -0.261 0.000 0.970 76 Q CA 1.628 57.309 55.803 -0.203 0.000 0.865 76 Q CB -0.098 28.590 28.738 -0.084 0.000 0.922 76 Q HN 0.607 nan 8.270 nan 0.000 0.445 77 E N -0.082 119.988 120.200 -0.217 0.000 2.216 77 E HA -0.118 4.232 4.350 0.000 0.000 0.192 77 E C 2.104 178.358 176.600 -0.578 0.000 0.988 77 E CA 0.967 57.144 56.400 -0.371 0.000 0.834 77 E CB 0.168 29.735 29.700 -0.221 0.000 0.772 77 E HN 0.294 nan 8.360 nan 0.000 0.479 78 S N 0.453 115.983 115.700 -0.282 0.000 2.383 78 S HA -0.161 4.309 4.470 0.000 0.000 0.227 78 S C 2.043 176.563 174.600 -0.134 0.000 1.026 78 S CA 0.809 58.937 58.200 -0.120 0.000 0.981 78 S CB -0.194 62.982 63.200 -0.041 0.000 0.818 78 S HN 0.161 nan 8.310 nan 0.000 0.472 79 M N 0.676 120.097 119.600 -0.298 0.000 2.175 79 M HA 0.056 4.536 4.480 0.000 0.000 0.264 79 M C 2.348 178.575 176.300 -0.122 0.000 1.063 79 M CA 1.318 56.491 55.300 -0.213 0.000 1.119 79 M CB -0.677 31.719 32.600 -0.340 0.000 1.377 79 M HN 0.416 nan 8.290 nan 0.000 0.415 80 L N 0.076 121.163 121.223 -0.228 0.000 2.046 80 L HA -0.201 4.139 4.340 0.000 0.000 0.208 80 L C 2.215 179.080 176.870 -0.008 0.000 1.077 80 L CA 2.020 56.753 54.840 -0.178 0.000 0.747 80 L CB -0.560 41.329 42.059 -0.283 0.000 0.896 80 L HN 0.276 nan 8.230 nan 0.000 0.432 81 H N -1.321 117.792 119.070 0.071 0.000 2.321 81 H HA -0.109 4.447 4.556 0.000 0.000 0.300 81 H C 2.273 177.693 175.328 0.154 0.000 1.087 81 H CA 1.183 57.296 56.048 0.108 0.000 1.319 81 H CB -0.130 29.766 29.762 0.223 0.000 1.379 81 H HN 0.378 nan 8.280 nan 0.000 0.501 82 S N 0.527 116.482 115.700 0.424 0.000 2.399 82 S HA -0.158 4.312 4.470 0.000 0.000 0.231 82 S C 2.409 177.249 174.600 0.400 0.000 1.022 82 S CA 0.762 59.229 58.200 0.444 0.000 0.983 82 S CB -0.187 63.210 63.200 0.328 0.000 0.803 82 S HN 0.534 nan 8.310 nan 0.000 0.480 83 A N 1.535 124.561 122.820 0.343 0.000 1.897 83 A HA -0.071 4.249 4.320 0.000 0.000 0.215 83 A C 2.419 180.313 177.584 0.518 0.000 1.181 83 A CA 1.926 54.232 52.037 0.448 0.000 0.620 83 A CB -0.936 18.309 19.000 0.409 0.000 0.821 83 A HN 0.619 nan 8.150 nan 0.000 0.443 84 T N -4.377 110.391 114.554 0.356 0.000 3.034 84 T HA 0.137 4.487 4.350 0.000 0.000 0.248 84 T C 1.625 176.495 174.700 0.283 0.000 1.040 84 T CA 1.002 63.320 62.100 0.363 0.000 1.107 84 T CB -0.138 68.816 68.868 0.143 0.000 0.932 84 T HN 0.002 nan 8.240 nan 0.000 0.474 85 V N 2.544 122.556 119.914 0.163 0.000 2.374 85 V HA 0.101 4.221 4.120 0.000 0.000 0.241 85 V C -0.610 175.342 176.094 -0.238 0.000 1.034 85 V CA 0.845 63.118 62.300 -0.045 0.000 1.037 85 V CB -1.049 30.729 31.823 -0.076 0.000 0.682 85 V HN 0.311 nan 8.190 nan 0.000 0.463 86 P HA -0.092 nan 4.420 nan 0.000 0.221 86 P C 1.488 178.639 177.300 -0.249 0.000 1.145 86 P CA 1.654 64.721 63.100 -0.056 0.000 0.795 86 P CB -0.243 31.579 31.700 0.204 0.000 0.775 87 G N -0.281 108.122 108.800 -0.662 0.000 2.551 87 G HA2 -0.078 3.882 3.960 0.000 0.000 0.216 87 G HA3 -0.078 3.882 3.960 0.000 0.000 0.216 87 G C 1.274 175.753 174.900 -0.702 0.000 1.137 87 G CA 0.589 45.084 45.100 -1.009 0.000 0.798 87 G HN 0.363 nan 8.290 nan 0.000 0.536 88 V N -1.558 117.887 119.914 -0.781 0.000 3.647 88 V HA 0.330 4.450 4.120 0.000 0.000 0.279 88 V C 2.173 178.039 176.094 -0.379 0.000 1.314 88 V CA 0.175 62.128 62.300 -0.578 0.000 1.125 88 V CB -0.250 31.154 31.823 -0.697 0.000 0.907 88 V HN 0.235 nan 8.190 nan 0.000 0.434 89 L N 1.456 122.476 121.223 -0.338 0.000 2.456 89 L HA 0.082 4.422 4.340 0.000 0.000 0.224 89 L C 2.648 179.540 176.870 0.037 0.000 1.148 89 L CA 1.230 55.985 54.840 -0.141 0.000 0.825 89 L CB -0.954 41.056 42.059 -0.082 0.000 0.937 89 L HN 0.503 nan 8.230 nan 0.000 0.450 90 G N -0.457 108.345 108.800 0.004 0.000 2.422 90 G HA2 0.063 4.023 3.960 0.000 0.000 0.218 90 G HA3 0.063 4.023 3.960 0.000 0.000 0.218 90 G C 0.681 175.608 174.900 0.045 0.000 1.146 90 G CA 0.976 46.097 45.100 0.035 0.000 0.769 90 G HN 0.553 nan 8.290 nan 0.000 0.547 91 S N -2.280 113.461 115.700 0.068 0.000 2.636 91 S HA 0.489 4.959 4.470 0.000 0.000 0.266 91 S C 0.754 175.367 174.600 0.021 0.000 1.116 91 S CA 0.105 58.318 58.200 0.022 0.000 0.893 91 S CB -0.179 nan 63.200 nan 0.000 1.171 91 S HN 0.033 nan 8.310 nan 0.000 0.482 92 R N 0.148 120.611 120.500 -0.061 0.000 2.152 92 R HA -0.022 4.318 4.340 0.000 0.000 0.232 92 R C -0.079 176.307 176.300 0.142 0.000 1.117 92 R CA 1.676 57.745 56.100 -0.053 0.000 0.981 92 R CB -0.068 30.188 30.300 -0.075 0.000 0.870 92 R HN 0.650 nan 8.270 nan 0.000 0.451 93 D N -0.671 119.769 120.400 0.067 0.000 2.433 93 D HA 0.141 4.781 4.640 0.000 0.000 0.211 93 D C 1.386 177.612 176.300 -0.124 0.000 1.114 93 D CA 0.237 54.200 54.000 -0.061 0.000 0.837 93 D CB 0.458 41.193 40.800 -0.108 0.000 0.984 93 D HN 0.092 nan 8.370 nan 0.000 0.505 94 A N 2.008 124.852 122.820 0.040 0.000 1.971 94 A HA -0.203 4.117 4.320 0.000 0.000 0.222 94 A C 2.058 179.722 177.584 0.133 0.000 1.182 94 A CA 1.537 53.617 52.037 0.071 0.000 0.649 94 A CB -1.313 17.729 19.000 0.070 0.000 0.818 94 A HN 0.584 nan 8.150 nan 0.000 0.458 95 W N 0.222 121.575 121.300 0.089 0.000 2.425 95 W HA -0.107 4.553 4.660 0.000 0.000 0.277 95 W C 1.724 178.365 176.519 0.203 0.000 1.231 95 W CA 0.781 58.232 57.345 0.176 0.000 1.248 95 W CB -0.767 28.756 29.460 0.106 0.000 1.117 95 W HN 0.307 nan 8.180 nan 0.000 0.568 96 R N 1.036 121.012 120.500 -0.874 0.000 2.080 96 R HA -0.154 4.187 4.340 0.000 0.000 0.236 96 R C 2.485 178.629 176.300 -0.260 0.000 1.137 96 R CA 3.119 58.694 56.100 -0.875 0.000 0.943 96 R CB -1.053 28.733 30.300 -0.857 0.000 0.846 96 R HN 0.301 nan 8.270 nan 0.000 0.431 97 T N -2.404 112.076 114.554 -0.123 0.000 3.069 97 T HA 0.089 4.439 4.350 0.000 0.000 0.252 97 T C 0.349 175.092 174.700 0.072 0.000 1.053 97 T CA -0.530 61.557 62.100 -0.021 0.000 0.964 97 T CB -0.094 68.752 68.868 -0.035 0.000 1.005 97 T HN 0.091 nan 8.240 nan 0.000 0.532 98 F N 4.200 124.170 119.950 0.035 0.000 2.529 98 F HA 0.421 4.948 4.527 0.000 0.000 0.365 98 F C 0.029 175.873 175.800 0.074 0.000 1.102 98 F CA -0.593 57.453 58.000 0.076 0.000 1.271 98 F CB 0.290 39.374 39.000 0.140 0.000 1.120 98 F HN 0.489 nan 8.300 nan 0.000 0.579 99 N N 4.066 122.256 118.700 -0.850 0.000 2.331 99 N HA 0.612 5.352 4.740 0.000 0.000 0.280 99 N C -2.199 172.815 175.510 -0.827 0.000 1.155 99 N CA -1.046 51.581 53.050 -0.705 0.000 0.822 99 N CB 2.279 40.591 38.487 -0.291 0.000 1.619 99 N HN 0.569 nan 8.380 nan 0.000 0.476 100 V N 2.063 121.655 119.914 -0.536 0.000 2.851 100 V HA 0.500 4.620 4.120 0.000 0.000 0.307 100 V C -0.903 175.118 176.094 -0.121 0.000 1.129 100 V CA -0.599 61.507 62.300 -0.324 0.000 0.932 100 V CB 0.715 32.506 31.823 -0.055 0.000 1.024 100 V HN 0.813 nan 8.190 nan 0.000 0.426 101 F N 4.675 124.552 119.950 -0.123 0.000 3.082 101 F HA -0.168 4.359 4.527 0.000 0.000 0.272 101 F C 1.602 177.336 175.800 -0.111 0.000 0.936 101 F CA 1.913 59.847 58.000 -0.109 0.000 0.920 101 F CB -1.398 37.541 39.000 -0.100 0.000 0.901 101 F HN 1.393 nan 8.300 nan 0.000 0.695 102 G N -0.532 108.256 108.800 -0.021 0.000 2.147 102 G HA2 -0.260 3.700 3.960 0.000 0.000 0.244 102 G HA3 -0.260 3.700 3.960 0.000 0.000 0.244 102 G C -0.095 174.775 174.900 -0.049 0.000 1.005 102 G CA 0.122 45.201 45.100 -0.036 0.000 0.713 102 G HN 0.555 nan 8.290 nan 0.000 0.515 103 L N -0.217 120.959 121.223 -0.078 0.000 2.354 103 L HA 0.849 5.189 4.340 0.000 0.000 0.264 103 L C 0.090 176.884 176.870 -0.126 0.000 1.008 103 L CA -0.946 53.833 54.840 -0.101 0.000 0.819 103 L CB 2.434 44.416 42.059 -0.127 0.000 1.339 103 L HN 0.115 nan 8.230 nan 0.000 0.420 104 S N -0.528 115.124 115.700 -0.079 0.000 2.569 104 S HA 0.529 4.999 4.470 0.000 0.000 0.280 104 S C -1.520 173.123 174.600 0.072 0.000 1.111 104 S CA -0.654 57.575 58.200 0.048 0.000 0.887 104 S CB 1.484 64.749 63.200 0.110 0.000 1.095 104 S HN 0.377 nan 8.310 nan 0.000 0.476 105 W N 1.251 122.738 121.300 0.312 0.000 2.237 105 W HA 0.260 4.920 4.660 0.000 0.000 0.335 105 W C 1.849 178.537 176.519 0.282 0.000 1.230 105 W CA -0.236 57.261 57.345 0.253 0.000 1.253 105 W CB 0.650 30.254 29.460 0.240 0.000 1.129 105 W HN 0.863 nan 8.180 nan 0.000 0.590 106 T N -2.417 112.394 114.554 0.429 0.000 3.035 106 T HA 0.037 4.387 4.350 0.000 0.000 0.259 106 T C -0.222 174.452 174.700 -0.043 0.000 1.078 106 T CA 0.907 63.156 62.100 0.249 0.000 1.132 106 T CB -0.228 68.737 68.868 0.161 0.000 0.900 106 T HN 0.467 nan 8.240 nan 0.000 0.480 107 D N -1.304 118.836 120.400 -0.434 0.000 2.653 107 D HA 0.219 4.859 4.640 0.000 0.000 0.258 107 D C 0.440 175.926 176.300 -1.358 0.000 1.252 107 D CA -0.849 52.401 54.000 -1.250 0.000 0.777 107 D CB 0.677 41.129 40.800 -0.580 0.000 1.339 107 D HN -0.038 nan 8.370 nan 0.000 0.422 108 E N 0.009 119.246 120.200 -1.605 0.000 2.209 108 E HA -0.121 4.229 4.350 0.000 0.000 0.196 108 E C 1.656 177.959 176.600 -0.495 0.000 0.993 108 E CA 1.318 57.147 56.400 -0.952 0.000 0.819 108 E CB -0.413 28.985 29.700 -0.503 0.000 0.745 108 E HN 0.604 nan 8.360 nan 0.000 0.477 109 G N 0.360 108.906 108.800 -0.424 0.000 2.920 109 G HA2 -0.015 3.945 3.960 0.000 0.000 0.208 109 G HA3 -0.015 3.945 3.960 0.000 0.000 0.208 109 G C 0.669 175.431 174.900 -0.231 0.000 1.159 109 G CA -0.055 44.896 45.100 -0.249 0.000 0.784 109 G HN 0.347 nan 8.290 nan 0.000 0.535 110 L N 0.329 121.327 121.223 -0.374 0.000 3.601 110 L HA -0.236 4.104 4.340 0.000 0.000 0.469 110 L C 1.678 178.655 176.870 0.179 0.000 1.294 110 L CA 0.020 54.565 54.840 -0.492 0.000 0.829 110 L CB -2.456 38.952 42.059 -1.087 0.000 1.628 110 L HN 0.205 nan 8.230 nan 0.000 0.868 111 S N -0.680 115.150 115.700 0.216 0.000 2.371 111 S HA 0.159 4.629 4.470 0.000 0.000 0.224 111 S C 1.015 175.863 174.600 0.413 0.000 1.029 111 S CA 1.110 59.489 58.200 0.299 0.000 0.978 111 S CB 0.351 63.633 63.200 0.136 0.000 0.833 111 S HN 0.790 nan 8.310 nan 0.000 0.466 112 G N -0.144 108.915 108.800 0.432 0.000 2.690 112 G HA2 0.634 4.594 3.960 0.000 0.000 0.291 112 G HA3 0.634 4.594 3.960 0.000 0.000 0.291 112 G C -1.883 173.174 174.900 0.262 0.000 1.403 112 G CA -0.753 44.526 45.100 0.298 0.000 0.864 112 G HN 0.191 nan 8.290 nan 0.000 0.480 113 L N 1.246 122.468 121.223 -0.003 0.000 2.325 113 L HA 0.664 5.004 4.340 0.000 0.000 0.281 113 L C 0.246 177.066 176.870 -0.083 0.000 1.004 113 L CA -0.987 53.738 54.840 -0.191 0.000 0.823 113 L CB 1.713 43.522 42.059 -0.417 0.000 1.236 113 L HN 0.562 nan 8.230 nan 0.000 0.415 114 V N 0.534 120.425 119.914 -0.038 0.000 3.158 114 V HA 0.848 4.968 4.120 0.000 0.000 0.315 114 V C 0.343 176.424 176.094 -0.023 0.000 1.148 114 V CA -1.072 61.222 62.300 -0.010 0.000 1.042 114 V CB 1.669 33.515 31.823 0.038 0.000 1.101 114 V HN 0.745 nan 8.190 nan 0.000 0.448 115 A N 0.943 123.756 122.820 -0.013 0.000 2.540 115 A HA 0.637 4.957 4.320 0.000 0.000 0.239 115 A C 0.741 178.322 177.584 -0.006 0.000 1.061 115 A CA 0.495 52.522 52.037 -0.016 0.000 0.758 115 A CB -0.578 18.417 19.000 -0.009 0.000 0.991 115 A HN 2.165 nan 8.150 nan 0.000 0.502 116 A N 2.538 125.345 122.820 -0.022 0.000 2.280 116 A HA 0.494 4.814 4.320 0.000 0.000 0.268 116 A C 0.519 178.094 177.584 -0.014 0.000 1.111 116 A CA -0.421 51.604 52.037 -0.020 0.000 0.814 116 A CB 0.119 19.087 19.000 -0.054 0.000 1.093 116 A HN 0.856 nan 8.150 nan 0.000 0.498 117 Q N 0.769 120.561 119.800 -0.014 0.000 2.373 117 Q HA 0.301 4.641 4.340 0.000 0.000 0.255 117 Q C -1.181 174.803 176.000 -0.027 0.000 0.980 117 Q CA 0.151 55.944 55.803 -0.016 0.000 0.882 117 Q CB 0.968 29.697 28.738 -0.015 0.000 1.249 117 Q HN 0.757 nan 8.270 nan 0.000 0.438 118 D N 1.132 121.518 120.400 -0.023 0.000 2.863 118 D HA 0.393 5.033 4.640 0.000 0.000 0.245 118 D C -2.244 174.043 176.300 -0.022 0.000 1.211 118 D CA -1.662 52.321 54.000 -0.027 0.000 0.888 118 D CB 0.623 41.405 40.800 -0.030 0.000 1.483 118 D HN 0.173 nan 8.370 nan 0.000 0.533 119 P HA 0.266 nan 4.420 nan 0.000 0.269 119 P C -2.522 174.758 177.300 -0.033 0.000 1.209 119 P CA -0.782 62.300 63.100 -0.030 0.000 0.776 119 P CB -0.095 31.589 31.700 -0.027 0.000 0.876 120 P HA 0.146 nan 4.420 nan 0.000 0.275 120 P C -1.957 175.318 177.300 -0.041 0.000 1.266 120 P CA -1.147 61.924 63.100 -0.048 0.000 0.793 120 P CB -0.449 31.208 31.700 -0.071 0.000 1.074 121 P HA 0.015 nan 4.420 nan 0.000 0.213 121 P C 0.403 177.683 177.300 -0.034 0.000 1.170 121 P CA 1.389 64.468 63.100 -0.036 0.000 0.889 121 P CB -0.221 31.455 31.700 -0.041 0.000 0.782 122 A N -0.771 122.028 122.820 -0.035 0.000 2.288 122 A HA 0.698 5.018 4.320 0.000 0.000 0.328 122 A C -0.192 177.367 177.584 -0.042 0.000 1.123 122 A CA -0.397 51.624 52.037 -0.026 0.000 0.861 122 A CB 0.294 19.292 19.000 -0.004 0.000 1.272 122 A HN 0.186 nan 8.150 nan 0.000 0.490 123 A N 1.099 123.900 122.820 -0.032 0.000 2.540 123 A HA 0.509 4.830 4.320 0.000 0.000 0.239 123 A C -2.242 175.300 177.584 -0.070 0.000 1.061 123 A CA -0.714 51.295 52.037 -0.047 0.000 0.758 123 A CB -0.967 18.015 19.000 -0.031 0.000 0.991 123 A HN 0.546 nan 8.150 nan 0.000 0.502 124 P HA 0.048 nan 4.420 nan 0.000 0.266 124 P C -0.421 176.797 177.300 -0.136 0.000 1.195 124 P CA 0.192 63.184 63.100 -0.179 0.000 0.768 124 P CB 0.161 31.728 31.700 -0.221 0.000 0.838 125 Y N 2.634 122.754 120.300 -0.300 0.000 2.497 125 Y HA 0.015 4.565 4.550 0.000 0.000 0.334 125 Y C 0.363 176.172 175.900 -0.151 0.000 1.199 125 Y CA 0.331 58.346 58.100 -0.141 0.000 1.425 125 Y CB 0.440 38.893 38.460 -0.011 0.000 1.291 125 Y HN 0.310 nan 8.280 nan 0.000 0.562 126 Q N 7.794 127.118 119.800 -0.793 0.000 2.400 126 Q HA 0.312 4.652 4.340 0.000 0.000 0.255 126 Q C -2.443 172.980 176.000 -0.962 0.000 1.008 126 Q CA -2.079 53.312 55.803 -0.687 0.000 0.841 126 Q CB 0.886 29.416 28.738 -0.346 0.000 1.220 126 Q HN 0.567 nan 8.270 nan 0.000 0.474 127 P HA -0.069 nan 4.420 nan 0.000 0.264 127 P C -0.916 176.463 177.300 0.132 0.000 1.179 127 P CA 0.501 63.511 63.100 -0.151 0.000 0.763 127 P CB 0.550 32.289 31.700 0.066 0.000 0.806 128 A N 2.347 125.315 122.820 0.248 0.000 2.324 128 A HA 0.517 4.837 4.320 0.000 0.000 0.330 128 A C 0.159 177.784 177.584 0.067 0.000 1.165 128 A CA -0.410 51.751 52.037 0.206 0.000 0.813 128 A CB 0.767 19.833 19.000 0.110 0.000 1.197 128 A HN 0.427 nan 8.150 nan 0.000 0.484 129 S N 1.732 117.144 115.700 -0.481 0.000 2.499 129 S HA 0.451 4.921 4.470 0.000 0.000 0.275 129 S C 0.722 175.011 174.600 -0.519 0.000 1.257 129 S CA 0.410 58.046 58.200 -0.939 0.000 1.050 129 S CB -0.107 62.195 63.200 -1.496 0.000 0.937 129 S HN 2.427 nan 8.310 nan 0.000 0.490 130 A N 3.067 125.544 122.820 -0.572 0.000 2.312 130 A HA -0.167 4.153 4.320 0.000 0.000 0.286 130 A C 0.074 177.258 177.584 -0.667 0.000 1.425 130 A CA 1.217 52.763 52.037 -0.819 0.000 0.748 130 A CB -1.887 16.886 19.000 -0.379 0.000 1.126 130 A HN 0.904 nan 8.150 nan 0.000 0.368 131 Q N -1.039 118.354 119.800 -0.679 0.000 2.397 131 Q HA 0.691 5.031 4.340 0.000 0.000 0.275 131 Q C -0.822 175.086 176.000 -0.153 0.000 1.090 131 Q CA -0.442 55.231 55.803 -0.218 0.000 0.809 131 Q CB 1.084 29.796 28.738 -0.043 0.000 1.362 131 Q HN 0.592 nan 8.270 nan 0.000 0.431 132 W N 1.249 122.648 121.300 0.164 0.000 2.438 132 W HA 0.679 5.339 4.660 0.000 0.000 0.324 132 W C -0.207 176.437 176.519 0.209 0.000 1.119 132 W CA -0.351 57.124 57.345 0.216 0.000 1.221 132 W CB 1.871 31.445 29.460 0.190 0.000 1.253 132 W HN 0.399 nan 8.180 nan 0.000 0.555 133 S N 1.568 117.617 115.700 0.583 0.000 2.538 133 S HA 0.106 4.576 4.470 0.000 0.000 0.288 133 S C -1.451 173.395 174.600 0.409 0.000 1.108 133 S CA -0.750 57.710 58.200 0.434 0.000 0.971 133 S CB 1.493 64.946 63.200 0.422 0.000 1.041 133 S HN 0.381 nan 8.310 nan 0.000 0.483 134 D N 2.505 123.079 120.400 0.289 0.000 2.347 134 D HA 0.241 4.881 4.640 0.000 0.000 0.235 134 D C 0.763 177.214 176.300 0.251 0.000 1.149 134 D CA -0.356 53.792 54.000 0.246 0.000 0.850 134 D CB 0.536 41.437 40.800 0.169 0.000 1.061 134 D HN 0.426 nan 8.370 nan 0.000 0.487 135 L N 3.441 124.844 121.223 0.301 0.000 2.478 135 L HA 0.012 4.352 4.340 0.000 0.000 0.223 135 L C 1.973 179.052 176.870 0.349 0.000 1.140 135 L CA 0.265 55.315 54.840 0.351 0.000 0.842 135 L CB 0.018 42.285 42.059 0.346 0.000 0.953 135 L HN 0.464 nan 8.230 nan 0.000 0.452 136 L N -0.293 121.065 121.223 0.225 0.000 2.552 136 L HA -0.050 4.290 4.340 0.000 0.000 0.227 136 L C 1.618 178.574 176.870 0.143 0.000 1.146 136 L CA 0.106 55.042 54.840 0.160 0.000 0.858 136 L CB -0.414 41.710 42.059 0.108 0.000 0.969 136 L HN 0.329 nan 8.230 nan 0.000 0.451 137 N N -0.438 118.355 118.700 0.156 0.000 2.520 137 N HA -0.154 4.586 4.740 0.000 0.000 0.185 137 N C 0.264 175.848 175.510 0.123 0.000 1.068 137 N CA 0.564 53.683 53.050 0.116 0.000 0.911 137 N CB -0.090 38.464 38.487 0.111 0.000 0.961 137 N HN 0.179 nan 8.380 nan 0.000 0.446 138 Y N 2.167 122.442 120.300 -0.041 0.000 2.486 138 Y HA 0.197 4.747 4.550 0.000 0.000 0.348 138 Y C -1.536 174.265 175.900 -0.165 0.000 1.000 138 Y CA -2.703 55.273 58.100 -0.206 0.000 1.253 138 Y CB 1.033 39.193 38.460 -0.500 0.000 1.140 138 Y HN 0.001 nan 8.280 nan 0.000 0.526 139 P HA -0.217 nan 4.420 nan 0.000 0.215 139 P C 1.540 178.625 177.300 -0.359 0.000 1.153 139 P CA 1.844 64.759 63.100 -0.309 0.000 0.853 139 P CB 0.159 31.686 31.700 -0.289 0.000 0.788 140 R N -1.020 119.084 120.500 -0.660 0.000 2.091 140 R HA -0.169 4.171 4.340 0.000 0.000 0.238 140 R C 1.915 178.115 176.300 -0.166 0.000 1.136 140 R CA 1.740 57.553 56.100 -0.479 0.000 0.959 140 R CB -0.657 29.233 30.300 -0.683 0.000 0.856 140 R HN 0.167 nan 8.270 nan 0.000 0.437 141 W N 0.050 121.220 121.300 -0.216 0.000 2.467 141 W HA 0.125 4.785 4.660 0.000 0.000 0.275 141 W C 2.236 178.642 176.519 -0.188 0.000 1.239 141 W CA 0.518 57.765 57.345 -0.164 0.000 1.266 141 W CB -0.812 28.587 29.460 -0.100 0.000 1.112 141 W HN 0.306 nan 8.180 nan 0.000 0.576 142 A N 0.622 123.475 122.820 0.055 0.000 1.930 142 A HA -0.207 4.113 4.320 0.000 0.000 0.217 142 A C 1.806 179.366 177.584 -0.040 0.000 1.175 142 A CA 1.972 54.002 52.037 -0.011 0.000 0.627 142 A CB -0.835 18.154 19.000 -0.018 0.000 0.815 142 A HN 0.420 nan 8.150 nan 0.000 0.443 143 N N -1.054 117.613 118.700 -0.055 0.000 2.349 143 N HA 0.040 4.780 4.740 0.000 0.000 0.180 143 N C 0.390 175.866 175.510 -0.057 0.000 1.024 143 N CA 0.262 53.275 53.050 -0.061 0.000 0.869 143 N CB 0.083 38.524 38.487 -0.077 0.000 1.022 143 N HN 0.189 nan 8.380 nan 0.000 0.433 144 R N 1.565 122.037 120.500 -0.047 0.000 3.171 144 R HA 0.225 4.565 4.340 0.000 0.000 0.241 144 R C 0.368 176.635 176.300 -0.055 0.000 1.421 144 R CA -0.187 55.887 56.100 -0.044 0.000 1.444 144 R CB 0.781 31.060 30.300 -0.034 0.000 1.247 144 R HN 0.118 nan 8.270 nan 0.000 0.636 145 R N 1.536 121.978 120.500 -0.096 0.000 2.127 145 R HA -0.082 4.258 4.340 0.000 0.000 0.238 145 R C 1.631 177.799 176.300 -0.220 0.000 1.134 145 R CA 1.655 57.650 56.100 -0.175 0.000 0.975 145 R CB -0.022 30.186 30.300 -0.154 0.000 0.865 145 R HN 0.341 nan 8.270 nan 0.000 0.447 146 R N 0.051 120.460 120.500 -0.152 0.000 2.189 146 R HA -0.097 4.243 4.340 0.000 0.000 0.223 146 R C 1.709 177.895 176.300 -0.189 0.000 1.092 146 R CA 1.480 57.491 56.100 -0.147 0.000 0.989 146 R CB -0.051 30.192 30.300 -0.096 0.000 0.876 146 R HN 0.567 nan 8.270 nan 0.000 0.457 147 E N 0.234 120.318 120.200 -0.194 0.000 2.385 147 E HA -0.104 4.246 4.350 0.000 0.000 0.194 147 E C 1.789 178.086 176.600 -0.505 0.000 1.013 147 E CA 0.280 56.540 56.400 -0.234 0.000 0.866 147 E CB 0.017 29.658 29.700 -0.098 0.000 0.832 147 E HN 0.152 nan 8.360 nan 0.000 0.500 148 L N 1.274 122.055 121.223 -0.737 0.000 2.068 148 L HA -0.049 4.291 4.340 0.000 0.000 0.204 148 L C 2.275 178.724 176.870 -0.702 0.000 1.076 148 L CA 1.736 55.847 54.840 -1.215 0.000 0.753 148 L CB -0.397 40.861 42.059 -1.335 0.000 0.910 148 L HN 0.004 nan 8.230 nan 0.000 0.439 149 Q N -0.557 118.955 119.800 -0.479 0.000 2.248 149 Q HA -0.209 4.131 4.340 0.000 0.000 0.208 149 Q C 2.209 178.129 176.000 -0.133 0.000 0.984 149 Q CA 1.841 57.523 55.803 -0.201 0.000 0.875 149 Q CB -0.316 28.343 28.738 -0.131 0.000 0.910 149 Q HN 0.757 nan 8.270 nan 0.000 0.433 150 S N -0.219 115.347 115.700 -0.223 0.000 2.478 150 S HA 0.008 4.478 4.470 0.000 0.000 0.222 150 S C 1.536 176.020 174.600 -0.193 0.000 1.008 150 S CA 0.325 58.424 58.200 -0.169 0.000 0.928 150 S CB 0.223 63.327 63.200 -0.160 0.000 0.781 150 S HN 0.203 nan 8.310 nan 0.000 0.518 151 K N -0.790 119.402 120.400 -0.346 0.000 2.356 151 K HA 0.192 4.512 4.320 0.000 0.000 0.195 151 K C 1.491 177.988 176.600 -0.172 0.000 1.037 151 K CA 0.251 56.296 56.287 -0.403 0.000 1.014 151 K CB -0.201 31.701 32.500 -0.997 0.000 0.815 151 K HN 0.345 nan 8.250 nan 0.000 0.507 152 Y N 2.447 122.598 120.300 -0.248 0.000 2.224 152 Y HA -0.111 4.439 4.550 0.000 0.000 0.289 152 Y C -1.227 174.687 175.900 0.024 0.000 1.146 152 Y CA 0.831 58.877 58.100 -0.090 0.000 1.182 152 Y CB -0.754 37.714 38.460 0.013 0.000 0.983 152 Y HN 0.002 nan 8.280 nan 0.000 0.524 153 P HA -0.225 nan 4.420 nan 0.000 0.216 153 P C 1.890 179.169 177.300 -0.035 0.000 1.153 153 P CA 1.810 64.881 63.100 -0.047 0.000 0.858 153 P CB -0.132 31.570 31.700 0.005 0.000 0.789 154 L N -1.629 119.608 121.223 0.023 0.000 2.017 154 L HA -0.184 4.156 4.340 0.000 0.000 0.208 154 L C 2.504 179.408 176.870 0.057 0.000 1.073 154 L CA 1.484 56.385 54.840 0.102 0.000 0.745 154 L CB -0.864 41.312 42.059 0.195 0.000 0.894 154 L HN -0.057 nan 8.230 nan 0.000 0.432 155 L N -1.249 119.940 121.223 -0.057 0.000 2.056 155 L HA -0.222 4.118 4.340 0.000 0.000 0.207 155 L C 2.471 179.359 176.870 0.029 0.000 1.078 155 L CA 0.550 55.409 54.840 0.033 0.000 0.749 155 L CB -0.441 41.645 42.059 0.045 0.000 0.901 155 L HN 0.250 nan 8.230 nan 0.000 0.433 156 L N 0.114 121.121 121.223 -0.360 0.000 2.046 156 L HA -0.208 4.132 4.340 0.000 0.000 0.208 156 L C 2.720 179.585 176.870 -0.007 0.000 1.077 156 L CA 1.668 56.340 54.840 -0.281 0.000 0.747 156 L CB -0.673 41.118 42.059 -0.446 0.000 0.896 156 L HN 0.128 nan 8.230 nan 0.000 0.432 157 R N -1.015 119.502 120.500 0.029 0.000 2.096 157 R HA -0.181 4.159 4.340 0.000 0.000 0.240 157 R C 2.254 178.630 176.300 0.127 0.000 1.139 157 R CA 1.892 58.048 56.100 0.095 0.000 0.952 157 R CB -0.298 30.069 30.300 0.112 0.000 0.854 157 R HN 0.450 nan 8.270 nan 0.000 0.436 158 S N -0.352 115.467 115.700 0.198 0.000 2.359 158 S HA -0.148 4.322 4.470 0.000 0.000 0.224 158 S C 1.898 176.512 174.600 0.024 0.000 1.035 158 S CA 1.937 60.255 58.200 0.196 0.000 1.018 158 S CB -0.400 63.087 63.200 0.479 0.000 0.876 158 S HN 0.471 nan 8.310 nan 0.000 0.448 159 T N 2.814 117.332 114.554 -0.060 0.000 2.665 159 T HA -0.046 4.304 4.350 0.000 0.000 0.268 159 T C 1.725 176.425 174.700 0.000 0.000 1.035 159 T CA 1.194 63.186 62.100 -0.180 0.000 1.151 159 T CB -0.462 68.325 68.868 -0.134 0.000 0.862 159 T HN 0.260 nan 8.240 nan 0.000 0.438 160 L N 0.054 121.338 121.223 0.102 0.000 2.109 160 L HA 0.020 4.360 4.340 0.000 0.000 0.207 160 L C 2.405 179.293 176.870 0.031 0.000 1.086 160 L CA 0.549 55.471 54.840 0.136 0.000 0.760 160 L CB -0.469 41.695 42.059 0.176 0.000 0.910 160 L HN 0.209 nan 8.230 nan 0.000 0.437 161 L N -0.626 120.617 121.223 0.033 0.000 2.056 161 L HA -0.143 4.197 4.340 0.000 0.000 0.207 161 L C 2.592 179.486 176.870 0.039 0.000 1.078 161 L CA 1.690 56.536 54.840 0.010 0.000 0.749 161 L CB -0.376 41.720 42.059 0.063 0.000 0.901 161 L HN 0.073 nan 8.230 nan 0.000 0.433 162 S N -0.150 115.588 115.700 0.064 0.000 2.382 162 S HA -0.124 4.346 4.470 0.000 0.000 0.228 162 S C 2.015 176.728 174.600 0.189 0.000 1.027 162 S CA 1.086 59.349 58.200 0.104 0.000 0.991 162 S CB -0.579 62.623 63.200 0.004 0.000 0.823 162 S HN 0.634 nan 8.310 nan 0.000 0.469 163 A N 0.856 123.730 122.820 0.089 0.000 2.066 163 A HA 0.192 4.512 4.320 0.000 0.000 0.218 163 A C 0.953 178.452 177.584 -0.141 0.000 1.157 163 A CA 0.695 52.655 52.037 -0.128 0.000 0.670 163 A CB -0.230 18.649 19.000 -0.200 0.000 0.804 163 A HN 0.304 nan 8.150 nan 0.000 0.453 164 M N -0.280 119.248 119.600 -0.120 0.000 2.211 164 M HA 0.216 4.696 4.480 0.000 0.000 0.356 164 M C 1.296 177.537 176.300 -0.097 0.000 1.216 164 M CA -0.110 55.094 55.300 -0.159 0.000 1.134 164 M CB 0.824 33.322 32.600 -0.169 0.000 1.564 164 M HN 0.411 nan 8.290 nan 0.000 0.463 165 R N 1.749 122.189 120.500 -0.101 0.000 2.075 165 R HA -0.021 4.319 4.340 0.000 0.000 0.232 165 R C 0.858 177.124 176.300 -0.058 0.000 1.126 165 R CA 1.746 57.809 56.100 -0.063 0.000 0.963 165 R CB 0.340 30.604 30.300 -0.061 0.000 0.858 165 R HN 0.818 nan 8.270 nan 0.000 0.435 166 A N -0.674 122.086 122.820 -0.100 0.000 3.324 166 A HA 0.549 4.869 4.320 0.000 0.000 0.196 166 A C 0.498 177.939 177.584 -0.237 0.000 1.506 166 A CA 0.060 52.030 52.037 -0.112 0.000 1.687 166 A CB -0.705 18.215 19.000 -0.133 0.000 1.570 166 A HN 0.373 nan 8.150 nan 0.000 0.533 167 G N -0.700 107.831 108.800 -0.449 0.000 2.588 167 G HA2 0.520 4.480 3.960 0.000 0.000 0.281 167 G HA3 0.520 4.480 3.960 0.000 0.000 0.281 167 G C -2.841 171.663 174.900 -0.659 0.000 1.236 167 G CA -1.244 43.195 45.100 -1.102 0.000 0.969 167 G HN 0.380 nan 8.290 nan 0.000 0.504 168 P HA 0.199 nan 4.420 nan 0.000 0.271 168 P C -0.043 177.329 177.300 0.120 0.000 1.216 168 P CA -0.364 62.606 63.100 -0.216 0.000 0.776 168 P CB 1.281 32.885 31.700 -0.160 0.000 0.881 169 V N 4.855 124.827 119.914 0.097 0.000 2.686 169 V HA 0.309 4.429 4.120 0.000 0.000 0.295 169 V C -0.385 175.830 176.094 0.201 0.000 1.057 169 V CA -0.483 61.934 62.300 0.196 0.000 1.012 169 V CB 0.347 32.269 31.823 0.166 0.000 1.006 169 V HN 0.270 nan 8.190 nan 0.000 0.477 170 L N 5.880 127.222 121.223 0.198 0.000 2.334 170 L HA 0.442 4.782 4.340 0.000 0.000 0.276 170 L C -1.062 175.986 176.870 0.296 0.000 1.014 170 L CA -0.782 54.124 54.840 0.111 0.000 0.815 170 L CB 1.729 43.686 42.059 -0.169 0.000 1.268 170 L HN 0.719 nan 8.230 nan 0.000 0.428 171 Y N 2.954 123.378 120.300 0.207 0.000 2.477 171 Y HA 0.422 4.972 4.550 0.000 0.000 0.349 171 Y C -0.601 175.379 175.900 0.133 0.000 0.977 171 Y CA -0.491 57.764 58.100 0.257 0.000 1.214 171 Y CB 0.851 39.511 38.460 0.332 0.000 1.124 171 Y HN 0.219 nan 8.280 nan 0.000 0.521 172 V N 6.773 126.546 119.914 -0.236 0.000 2.326 172 V HA 0.354 4.474 4.120 0.000 0.000 0.281 172 V C -0.596 175.489 176.094 -0.014 0.000 1.015 172 V CA -0.829 61.435 62.300 -0.061 0.000 0.823 172 V CB 1.246 33.017 31.823 -0.086 0.000 1.009 172 V HN 0.750 nan 8.190 nan 0.000 0.436 173 E N 3.123 123.473 120.200 0.249 0.000 2.263 173 E HA 0.670 5.020 4.350 0.000 0.000 0.268 173 E C -0.702 176.128 176.600 0.383 0.000 0.884 173 E CA -0.440 56.166 56.400 0.343 0.000 0.766 173 E CB 2.221 32.222 29.700 0.501 0.000 1.196 173 E HN 0.805 nan 8.360 nan 0.000 0.416 174 T N 0.647 115.344 114.554 0.239 0.000 2.908 174 T HA 0.799 5.149 4.350 0.000 0.000 0.290 174 T C -0.940 173.916 174.700 0.260 0.000 1.034 174 T CA -0.810 61.355 62.100 0.108 0.000 1.010 174 T CB 0.773 69.659 68.868 0.029 0.000 1.068 174 T HN 0.544 nan 8.240 nan 0.000 0.481 175 W N -0.339 120.990 121.300 0.047 0.000 3.118 175 W HA 0.703 5.363 4.660 0.000 0.000 0.328 175 W C -3.362 173.168 176.519 0.019 0.000 1.239 175 W CA -2.864 54.482 57.345 0.000 0.000 1.176 175 W CB -0.278 29.182 29.460 0.000 0.000 1.433 175 W HN 0.532 nan 8.180 nan 0.000 0.562 176 P HA -0.035 nan 4.420 nan 0.000 0.264 176 P C 0.030 177.378 177.300 0.081 0.000 1.179 176 P CA 0.644 63.793 63.100 0.083 0.000 0.763 176 P CB 0.340 32.087 31.700 0.079 0.000 0.806 177 N N 2.731 121.446 118.700 0.026 0.000 2.860 177 N HA -0.282 4.458 4.740 0.000 0.000 0.284 177 N C 0.799 176.303 175.510 -0.010 0.000 0.991 177 N CA 0.829 53.886 53.050 0.013 0.000 0.858 177 N CB -0.934 37.584 38.487 0.052 0.000 0.933 177 N HN 0.469 nan 8.380 nan 0.000 0.593 178 M N -1.511 117.939 119.600 -0.250 0.000 2.159 178 M HA -0.033 4.447 4.480 0.000 0.000 0.263 178 M C 0.421 176.616 176.300 -0.176 0.000 1.063 178 M CA 1.349 56.302 55.300 -0.578 0.000 1.110 178 M CB -0.093 31.569 32.600 -1.563 0.000 1.374 178 M HN 0.288 nan 8.290 nan 0.000 0.411 179 I N 2.852 123.359 120.570 -0.105 0.000 2.313 179 I HA 0.250 4.421 4.170 0.000 0.000 0.286 179 I C -0.205 175.995 176.117 0.138 0.000 1.091 179 I CA -0.529 60.793 61.300 0.037 0.000 1.216 179 I CB 0.116 38.065 38.000 -0.085 0.000 1.434 179 I HN 0.402 nan 8.210 nan 0.000 0.487 180 S N 3.080 118.886 115.700 0.177 0.000 2.776 180 S HA 0.912 5.382 4.470 0.000 0.000 0.292 180 S C 0.271 174.979 174.600 0.181 0.000 1.187 180 S CA -0.264 58.039 58.200 0.173 0.000 0.834 180 S CB 1.478 64.761 63.200 0.138 0.000 1.199 180 S HN 0.851 nan 8.310 nan 0.000 0.514 181 G N 1.581 110.471 108.800 0.149 0.000 2.596 181 G HA2 -0.316 3.644 3.960 0.000 0.000 0.295 181 G HA3 -0.316 3.644 3.960 0.000 0.000 0.295 181 G C 0.591 175.578 174.900 0.145 0.000 1.240 181 G CA 0.637 45.814 45.100 0.129 0.000 0.985 181 G HN 0.870 nan 8.290 nan 0.000 0.555 182 R N -0.635 119.942 120.500 0.128 0.000 2.148 182 R HA 0.067 4.407 4.340 0.000 0.000 0.223 182 R C 2.722 179.142 176.300 0.200 0.000 1.088 182 R CA 1.285 57.466 56.100 0.135 0.000 0.985 182 R CB -0.386 29.964 30.300 0.083 0.000 0.880 182 R HN 0.373 nan 8.270 nan 0.000 0.451 183 L N 0.733 122.085 121.223 0.215 0.000 2.017 183 L HA -0.115 4.225 4.340 0.000 0.000 0.208 183 L C 2.220 179.374 176.870 0.473 0.000 1.073 183 L CA 1.923 56.953 54.840 0.318 0.000 0.745 183 L CB -0.862 41.387 42.059 0.316 0.000 0.894 183 L HN 0.095 nan 8.230 nan 0.000 0.432 184 A N -0.548 122.487 122.820 0.359 0.000 1.873 184 A HA -0.274 4.046 4.320 0.000 0.000 0.218 184 A C 1.985 179.761 177.584 0.319 0.000 1.193 184 A CA 2.133 54.384 52.037 0.357 0.000 0.629 184 A CB -1.005 18.178 19.000 0.304 0.000 0.826 184 A HN 0.544 nan 8.150 nan 0.000 0.447 185 D N -1.751 118.798 120.400 0.248 0.000 2.182 185 D HA -0.183 4.457 4.640 0.000 0.000 0.201 185 D C 1.545 177.954 176.300 0.183 0.000 0.986 185 D CA 1.351 55.460 54.000 0.183 0.000 0.847 185 D CB -0.452 40.434 40.800 0.144 0.000 0.942 185 D HN 0.795 nan 8.370 nan 0.000 0.467 186 W N 0.701 122.027 121.300 0.044 0.000 2.378 186 W HA -0.147 4.513 4.660 0.000 0.000 0.313 186 W C 1.984 178.434 176.519 -0.114 0.000 1.197 186 W CA 1.074 58.392 57.345 -0.044 0.000 1.304 186 W CB -0.703 28.704 29.460 -0.089 0.000 1.148 186 W HN -0.173 nan 8.180 nan 0.000 0.494 187 F N 0.334 120.199 119.950 -0.141 0.000 2.126 187 F HA -0.291 4.236 4.527 0.000 0.000 0.299 187 F C 2.540 178.064 175.800 -0.461 0.000 1.096 187 F CA 2.248 59.878 58.000 -0.617 0.000 1.255 187 F CB -1.176 37.202 39.000 -1.036 0.000 0.997 187 F HN -0.078 nan 8.300 nan 0.000 0.479 188 M N 0.485 120.136 119.600 0.085 0.000 2.159 188 M HA -0.193 4.287 4.480 0.000 0.000 0.263 188 M C 2.441 178.771 176.300 0.051 0.000 1.063 188 M CA 1.965 57.397 55.300 0.220 0.000 1.110 188 M CB -0.710 31.985 32.600 0.158 0.000 1.374 188 M HN 0.130 nan 8.290 nan 0.000 0.411 189 S N -0.903 114.752 115.700 -0.074 0.000 2.440 189 S HA -0.190 4.280 4.470 0.000 0.000 0.238 189 S C 1.600 176.097 174.600 -0.172 0.000 1.010 189 S CA 1.318 59.444 58.200 -0.124 0.000 0.972 189 S CB -0.649 62.449 63.200 -0.170 0.000 0.774 189 S HN 0.762 nan 8.310 nan 0.000 0.501 190 Q N -0.252 119.391 119.800 -0.262 0.000 2.188 190 Q HA 0.301 4.641 4.340 0.000 0.000 0.212 190 Q C -0.731 175.209 176.000 -0.099 0.000 0.846 190 Q CA -0.559 55.092 55.803 -0.254 0.000 0.989 190 Q CB 0.177 28.615 28.738 -0.500 0.000 1.114 190 Q HN 0.713 nan 8.270 nan 0.000 0.488 191 Y N 0.653 120.907 120.300 -0.077 0.000 2.895 191 Y HA 0.004 4.554 4.550 0.000 0.000 0.334 191 Y C 1.432 177.284 175.900 -0.081 0.000 1.261 191 Y CA 1.941 60.032 58.100 -0.016 0.000 1.560 191 Y CB 0.307 38.801 38.460 0.057 0.000 1.253 191 Y HN 0.429 nan 8.280 nan 0.000 0.582 192 G N 3.281 111.594 108.800 -0.811 0.000 2.189 192 G HA2 -0.349 3.612 3.960 0.000 0.000 0.267 192 G HA3 -0.349 3.612 3.960 0.000 0.000 0.267 192 G C 0.000 174.695 174.900 -0.342 0.000 0.975 192 G CA 0.211 44.918 45.100 -0.655 0.000 0.644 192 G HN 0.680 nan 8.290 nan 0.000 0.537 193 N N 0.659 119.217 118.700 -0.236 0.000 2.513 193 N HA 0.283 5.023 4.740 0.000 0.000 0.274 193 N C 0.159 175.669 175.510 0.000 0.000 1.189 193 N CA -0.452 52.542 53.050 -0.093 0.000 0.975 193 N CB 0.468 38.909 38.487 -0.077 0.000 1.157 193 N HN 0.426 nan 8.380 nan 0.000 0.465 194 N N 1.283 120.015 118.700 0.054 0.000 2.520 194 N HA -0.042 4.698 4.740 0.000 0.000 0.273 194 N C 0.872 176.515 175.510 0.223 0.000 1.155 194 N CA -0.193 52.951 53.050 0.156 0.000 0.967 194 N CB 0.446 38.998 38.487 0.107 0.000 1.092 194 N HN 0.384 nan 8.380 nan 0.000 0.457 195 F N 4.593 124.657 119.950 0.190 0.000 2.063 195 F HA -0.265 4.262 4.527 0.000 0.000 0.298 195 F C 1.914 177.657 175.800 -0.095 0.000 1.109 195 F CA 1.627 59.617 58.000 -0.016 0.000 1.212 195 F CB -0.379 38.400 39.000 -0.367 0.000 0.973 195 F HN 0.383 nan 8.300 nan 0.000 0.480 196 V N 0.356 120.156 119.914 -0.191 0.000 2.515 196 V HA -0.273 3.847 4.120 0.000 0.000 0.250 196 V C 2.094 178.051 176.094 -0.229 0.000 1.058 196 V CA 2.078 64.197 62.300 -0.301 0.000 1.064 196 V CB -0.748 31.031 31.823 -0.073 0.000 0.675 196 V HN 0.307 nan 8.190 nan 0.000 0.461 197 D N -0.139 120.192 120.400 -0.115 0.000 2.117 197 D HA -0.154 4.486 4.640 0.000 0.000 0.197 197 D C 2.213 178.447 176.300 -0.111 0.000 0.987 197 D CA 1.408 55.358 54.000 -0.083 0.000 0.829 197 D CB -0.247 40.533 40.800 -0.034 0.000 0.961 197 D HN 0.364 nan 8.370 nan 0.000 0.460 198 M N -0.007 119.516 119.600 -0.128 0.000 2.108 198 M HA -0.173 4.307 4.480 0.000 0.000 0.261 198 M C 2.506 178.719 176.300 -0.145 0.000 1.066 198 M CA 1.075 56.312 55.300 -0.106 0.000 1.107 198 M CB -0.371 32.207 32.600 -0.037 0.000 1.356 198 M HN 0.093 nan 8.290 nan 0.000 0.406 199 C N 0.092 119.188 119.300 -0.340 0.000 2.440 199 C HA -0.052 4.409 4.460 0.000 0.000 0.278 199 C C 3.082 177.954 174.990 -0.197 0.000 1.295 199 C CA 0.983 59.795 59.018 -0.344 0.000 1.738 199 C CB -1.267 26.115 27.740 -0.596 0.000 1.987 199 C HN 0.647 nan 8.230 nan 0.000 0.492 200 A N 0.063 122.782 122.820 -0.169 0.000 1.930 200 A HA -0.161 4.159 4.320 0.000 0.000 0.217 200 A C 2.250 179.788 177.584 -0.076 0.000 1.175 200 A CA 1.377 53.351 52.037 -0.105 0.000 0.627 200 A CB -0.537 18.414 19.000 -0.082 0.000 0.815 200 A HN 0.638 nan 8.150 nan 0.000 0.443 201 R N -0.689 119.773 120.500 -0.063 0.000 2.075 201 R HA 0.047 4.387 4.340 0.000 0.000 0.232 201 R C 1.967 178.245 176.300 -0.036 0.000 1.126 201 R CA 1.098 57.180 56.100 -0.030 0.000 0.963 201 R CB -0.300 29.999 30.300 -0.002 0.000 0.858 201 R HN 0.524 nan 8.270 nan 0.000 0.435 202 L N -0.326 120.875 121.223 -0.037 0.000 2.056 202 L HA -0.165 4.175 4.340 0.000 0.000 0.207 202 L C 2.265 179.026 176.870 -0.181 0.000 1.078 202 L CA 1.464 56.248 54.840 -0.093 0.000 0.749 202 L CB -0.384 41.645 42.059 -0.050 0.000 0.901 202 L HN 0.273 nan 8.230 nan 0.000 0.433 203 T N -0.985 113.490 114.554 -0.131 0.000 2.652 203 T HA -0.335 4.015 4.350 0.000 0.000 0.267 203 T C 1.698 176.324 174.700 -0.124 0.000 1.039 203 T CA 1.850 63.879 62.100 -0.118 0.000 1.153 203 T CB -0.279 68.541 68.868 -0.080 0.000 0.863 203 T HN 0.327 nan 8.240 nan 0.000 0.428 204 Q N 1.351 121.093 119.800 -0.097 0.000 2.118 204 Q HA -0.176 4.164 4.340 0.000 0.000 0.211 204 Q C 2.171 178.097 176.000 -0.124 0.000 0.998 204 Q CA 2.514 58.268 55.803 -0.081 0.000 0.872 204 Q CB -0.697 28.011 28.738 -0.050 0.000 0.925 204 Q HN 0.396 nan 8.270 nan 0.000 0.414 205 S N -1.272 114.305 115.700 -0.204 0.000 2.453 205 S HA -0.057 4.413 4.470 0.000 0.000 0.231 205 S C 1.611 175.911 174.600 -0.499 0.000 1.005 205 S CA 0.870 58.876 58.200 -0.324 0.000 0.949 205 S CB -0.142 62.797 63.200 -0.435 0.000 0.774 205 S HN 0.552 nan 8.310 nan 0.000 0.510 206 C N 1.524 120.557 119.300 -0.444 0.000 2.696 206 C HA 0.187 4.647 4.460 0.000 0.000 0.264 206 C C 2.616 177.509 174.990 -0.162 0.000 1.288 206 C CA -0.259 58.542 59.018 -0.362 0.000 1.717 206 C CB -1.360 26.203 27.740 -0.294 0.000 1.893 206 C HN 0.543 nan 8.230 nan 0.000 0.577 207 S N 2.580 118.208 115.700 -0.120 0.000 2.369 207 S HA -0.215 4.255 4.470 0.000 0.000 0.225 207 S C 0.672 175.246 174.600 -0.044 0.000 1.043 207 S CA 1.656 59.820 58.200 -0.060 0.000 1.074 207 S CB -0.889 62.288 63.200 -0.040 0.000 0.962 207 S HN 0.945 nan 8.310 nan 0.000 0.433 208 N N 1.652 120.332 118.700 -0.033 0.000 2.400 208 N HA 0.125 4.865 4.740 0.000 0.000 0.267 208 N C 0.729 176.234 175.510 -0.008 0.000 1.208 208 N CA -0.091 52.950 53.050 -0.015 0.000 0.951 208 N CB 0.244 38.734 38.487 0.005 0.000 1.227 208 N HN 0.032 nan 8.380 nan 0.000 0.488 209 M N 1.695 121.283 119.600 -0.020 0.000 2.065 209 M HA -0.033 4.447 4.480 0.000 0.000 0.259 209 M C -1.122 175.193 176.300 0.026 0.000 1.071 209 M CA 0.598 55.889 55.300 -0.015 0.000 1.109 209 M CB -2.048 30.532 32.600 -0.033 0.000 1.313 209 M HN 0.424 nan 8.290 nan 0.000 0.408 210 P HA -0.113 nan 4.420 nan 0.000 0.056 210 P C -1.042 176.302 177.300 0.073 0.000 0.542 210 P CA 0.517 63.636 63.100 0.033 0.000 1.074 210 P CB -0.866 30.850 31.700 0.026 0.000 1.758 211 V N 3.333 123.281 119.914 0.056 0.000 2.313 211 V HA 0.184 4.304 4.120 0.000 0.000 0.278 211 V C 0.681 176.782 176.094 0.012 0.000 1.017 211 V CA -0.401 61.939 62.300 0.067 0.000 0.823 211 V CB 1.318 33.176 31.823 0.060 0.000 1.010 211 V HN 0.147 nan 8.190 nan 0.000 0.443 212 E N 7.056 127.250 120.200 -0.010 0.000 2.249 212 E HA 0.391 4.741 4.350 0.000 0.000 0.280 212 E C -2.447 174.120 176.600 -0.055 0.000 1.016 212 E CA -1.928 54.450 56.400 -0.038 0.000 0.830 212 E CB 1.023 30.693 29.700 -0.050 0.000 1.081 212 E HN 0.396 nan 8.360 nan 0.000 0.395 213 P HA -0.089 nan 4.420 nan 0.000 0.262 213 P C -0.483 176.757 177.300 -0.100 0.000 1.182 213 P CA 0.518 63.565 63.100 -0.088 0.000 0.761 213 P CB 0.421 32.068 31.700 -0.089 0.000 0.795 214 D N 0.133 120.459 120.400 -0.122 0.000 2.946 214 D HA -0.126 4.514 4.640 0.000 0.000 0.202 214 D C 0.984 177.217 176.300 -0.112 0.000 1.068 214 D CA 1.804 55.719 54.000 -0.142 0.000 1.011 214 D CB -1.416 39.298 40.800 -0.145 0.000 1.105 214 D HN 0.587 nan 8.370 nan 0.000 0.425 215 G N -0.256 108.485 108.800 -0.099 0.000 2.570 215 G HA2 0.193 4.153 3.960 0.000 0.000 0.276 215 G HA3 0.193 4.153 3.960 0.000 0.000 0.276 215 G C 1.184 176.003 174.900 -0.135 0.000 1.346 215 G CA 0.131 45.163 45.100 -0.114 0.000 1.034 215 G HN 0.041 nan 8.290 nan 0.000 0.512 216 N N -1.109 117.462 118.700 -0.214 0.000 2.106 216 N HA -0.113 4.627 4.740 0.000 0.000 0.188 216 N C 1.954 177.305 175.510 -0.264 0.000 1.029 216 N CA 1.197 54.084 53.050 -0.272 0.000 0.848 216 N CB -0.434 37.830 38.487 -0.372 0.000 1.007 216 N HN 0.532 nan 8.380 nan 0.000 0.423 217 Y N 1.428 121.616 120.300 -0.186 0.000 2.181 217 Y HA -0.144 4.406 4.550 0.000 0.000 0.288 217 Y C 2.345 178.143 175.900 -0.171 0.000 1.146 217 Y CA 0.737 58.713 58.100 -0.206 0.000 1.164 217 Y CB -0.978 37.399 38.460 -0.139 0.000 0.982 217 Y HN 0.108 nan 8.280 nan 0.000 0.515 218 D N -0.312 120.108 120.400 0.032 0.000 2.092 218 D HA -0.194 4.446 4.640 0.000 0.000 0.193 218 D C 1.984 178.289 176.300 0.009 0.000 0.994 218 D CA 1.770 55.763 54.000 -0.010 0.000 0.828 218 D CB -0.124 40.646 40.800 -0.051 0.000 0.963 218 D HN 0.359 nan 8.370 nan 0.000 0.450 219 Q N -0.647 119.151 119.800 -0.002 0.000 2.170 219 Q HA -0.176 4.164 4.340 0.000 0.000 0.203 219 Q C 2.387 178.499 176.000 0.186 0.000 0.976 219 Q CA 1.038 56.917 55.803 0.128 0.000 0.858 219 Q CB -0.069 28.742 28.738 0.122 0.000 0.907 219 Q HN 0.517 nan 8.270 nan 0.000 0.433 220 Q N -0.027 119.721 119.800 -0.086 0.000 2.050 220 Q HA -0.133 4.207 4.340 0.000 0.000 0.202 220 Q C 2.050 178.012 176.000 -0.063 0.000 0.980 220 Q CA 1.319 56.910 55.803 -0.353 0.000 0.840 220 Q CB -0.034 28.124 28.738 -0.966 0.000 0.898 220 Q HN 0.410 nan 8.270 nan 0.000 0.424 221 M N -0.257 119.345 119.600 0.003 0.000 2.099 221 M HA -0.136 4.344 4.480 0.000 0.000 0.262 221 M C 2.155 178.585 176.300 0.216 0.000 1.067 221 M CA 1.433 56.783 55.300 0.084 0.000 1.124 221 M CB -0.126 32.489 32.600 0.026 0.000 1.353 221 M HN 0.093 nan 8.290 nan 0.000 0.410 222 R N 0.057 120.721 120.500 0.274 0.000 2.081 222 R HA -0.082 4.258 4.340 0.000 0.000 0.235 222 R C 2.280 178.864 176.300 0.473 0.000 1.131 222 R CA 1.543 57.901 56.100 0.430 0.000 0.960 222 R CB -0.476 30.143 30.300 0.533 0.000 0.856 222 R HN 0.361 nan 8.270 nan 0.000 0.436 223 A N 0.979 124.091 122.820 0.487 0.000 1.929 223 A HA -0.102 4.218 4.320 0.000 0.000 0.216 223 A C 2.021 179.933 177.584 0.547 0.000 1.176 223 A CA 0.724 52.997 52.037 0.394 0.000 0.628 223 A CB -0.303 18.957 19.000 0.434 0.000 0.816 223 A HN 0.192 nan 8.150 nan 0.000 0.444 224 L N 0.086 121.707 121.223 0.663 0.000 2.083 224 L HA -0.082 4.258 4.340 0.000 0.000 0.209 224 L C 2.146 179.381 176.870 0.608 0.000 1.083 224 L CA 1.628 56.910 54.840 0.736 0.000 0.752 224 L CB -0.494 41.906 42.059 0.567 0.000 0.899 224 L HN 0.437 nan 8.230 nan 0.000 0.433 225 I N -1.000 119.835 120.570 0.441 0.000 2.202 225 I HA -0.260 3.910 4.170 0.000 0.000 0.242 225 I C 2.442 178.743 176.117 0.307 0.000 1.091 225 I CA 1.451 62.969 61.300 0.363 0.000 1.368 225 I CB -0.430 37.734 38.000 0.275 0.000 1.058 225 I HN 0.390 nan 8.210 nan 0.000 0.410 226 S N 0.729 116.591 115.700 0.270 0.000 2.414 226 S HA -0.090 4.380 4.470 0.000 0.000 0.227 226 S C 1.929 176.611 174.600 0.136 0.000 1.022 226 S CA 0.321 58.624 58.200 0.171 0.000 0.958 226 S CB -0.646 62.666 63.200 0.186 0.000 0.797 226 S HN 0.284 nan 8.310 nan 0.000 0.493 227 L N 1.226 122.581 121.223 0.220 0.000 1.970 227 L HA 0.017 4.357 4.340 0.000 0.000 0.212 227 L C 2.228 179.261 176.870 0.270 0.000 1.071 227 L CA 2.011 56.999 54.840 0.247 0.000 0.751 227 L CB -1.294 40.961 42.059 0.328 0.000 0.889 227 L HN 0.550 nan 8.230 nan 0.000 0.432 228 W N -0.133 121.194 121.300 0.044 0.000 2.311 228 W HA -0.325 4.335 4.660 0.000 0.000 0.326 228 W C 2.433 178.655 176.519 -0.496 0.000 1.239 228 W CA 2.349 59.354 57.345 -0.566 0.000 1.258 228 W CB -0.835 27.704 29.460 -1.535 0.000 1.165 228 W HN 0.268 nan 8.180 nan 0.000 0.466 229 L N 0.964 121.850 121.223 -0.561 0.000 2.013 229 L HA -0.237 4.103 4.340 0.000 0.000 0.212 229 L C 2.444 179.005 176.870 -0.515 0.000 1.073 229 L CA 2.147 56.508 54.840 -0.799 0.000 0.753 229 L CB -1.319 40.518 42.059 -0.369 0.000 0.890 229 L HN 0.195 nan 8.230 nan 0.000 0.432 230 L N -1.361 119.701 121.223 -0.269 0.000 2.265 230 L HA -0.170 4.170 4.340 0.000 0.000 0.215 230 L C 2.243 179.034 176.870 -0.131 0.000 1.117 230 L CA 1.029 55.772 54.840 -0.161 0.000 0.782 230 L CB -0.570 41.454 42.059 -0.058 0.000 0.914 230 L HN 0.261 nan 8.230 nan 0.000 0.441 231 S N -1.478 114.109 115.700 -0.189 0.000 2.406 231 S HA -0.128 4.342 4.470 0.000 0.000 0.224 231 S C 1.812 176.239 174.600 -0.288 0.000 1.030 231 S CA 0.328 58.484 58.200 -0.073 0.000 0.958 231 S CB -0.283 62.980 63.200 0.104 0.000 0.811 231 S HN 0.357 nan 8.310 nan 0.000 0.489 232 Y N 3.123 122.821 120.300 -1.003 0.000 2.181 232 Y HA -0.085 4.465 4.550 0.000 0.000 0.288 232 Y C 1.852 177.512 175.900 -0.399 0.000 1.146 232 Y CA 1.442 58.944 58.100 -0.997 0.000 1.164 232 Y CB -0.322 37.234 38.460 -1.506 0.000 0.982 232 Y HN 0.362 nan 8.280 nan 0.000 0.515 233 I N -3.227 117.182 120.570 -0.269 0.000 3.684 233 I HA 0.363 4.533 4.170 0.000 0.000 0.304 233 I C 1.666 177.668 176.117 -0.191 0.000 1.278 233 I CA 0.872 62.035 61.300 -0.229 0.000 1.272 233 I CB -0.251 37.653 38.000 -0.161 0.000 1.029 233 I HN 0.236 nan 8.210 nan 0.000 0.458 234 G N 1.725 110.455 108.800 -0.117 0.000 2.199 234 G HA2 -0.338 3.622 3.960 0.000 0.000 0.254 234 G HA3 -0.338 3.622 3.960 0.000 0.000 0.254 234 G C 0.912 175.844 174.900 0.054 0.000 0.982 234 G CA 0.713 45.805 45.100 -0.014 0.000 0.632 234 G HN 0.741 nan 8.290 nan 0.000 0.529 235 V N -1.506 118.404 119.914 -0.006 0.000 2.591 235 V HA 0.401 4.521 4.120 0.000 0.000 0.249 235 V C 1.388 177.499 176.094 0.028 0.000 1.053 235 V CA 1.324 63.622 62.300 -0.003 0.000 1.068 235 V CB -0.033 31.762 31.823 -0.047 0.000 0.689 235 V HN 0.543 nan 8.190 nan 0.000 0.462 236 V N 3.835 123.779 119.914 0.050 0.000 2.383 236 V HA 0.579 4.699 4.120 0.000 0.000 0.275 236 V C -0.126 176.070 176.094 0.170 0.000 1.036 236 V CA 0.323 62.676 62.300 0.090 0.000 0.889 236 V CB 0.472 32.355 31.823 0.099 0.000 0.985 236 V HN 1.021 nan 8.190 nan 0.000 0.459 237 N N 2.655 121.409 118.700 0.089 0.000 3.364 237 N HA 0.213 4.953 4.740 0.000 0.000 0.294 237 N C 0.365 175.588 175.510 -0.478 0.000 1.562 237 N CA -0.458 52.597 53.050 0.008 0.000 0.862 237 N CB 0.778 39.332 38.487 0.111 0.000 1.691 237 N HN 0.370 nan 8.380 nan 0.000 0.572 238 Q N -1.189 118.083 119.800 -0.880 0.000 2.364 238 Q HA -0.039 4.301 4.340 0.000 0.000 0.207 238 Q C 0.797 176.468 176.000 -0.548 0.000 0.970 238 Q CA 2.057 57.108 55.803 -1.254 0.000 0.888 238 Q CB -0.428 27.667 28.738 -1.072 0.000 0.951 238 Q HN 0.785 nan 8.270 nan 0.000 0.469 239 T N -3.322 111.035 114.554 -0.329 0.000 3.081 239 T HA 0.106 4.456 4.350 0.000 0.000 0.255 239 T C 0.254 174.867 174.700 -0.144 0.000 1.113 239 T CA 0.290 62.273 62.100 -0.194 0.000 1.082 239 T CB 0.046 68.838 68.868 -0.126 0.000 0.939 239 T HN 0.224 nan 8.240 nan 0.000 0.506 240 N N 1.825 120.439 118.700 -0.144 0.000 2.607 240 N HA 0.320 5.060 4.740 0.000 0.000 0.271 240 N C -0.970 174.511 175.510 -0.049 0.000 1.142 240 N CA -0.311 52.694 53.050 -0.076 0.000 0.810 240 N CB 1.696 40.160 38.487 -0.039 0.000 1.306 240 N HN 0.449 nan 8.380 nan 0.000 0.536 241 T N -0.216 114.314 114.554 -0.041 0.000 2.950 241 T HA 0.643 4.993 4.350 0.000 0.000 0.288 241 T C 0.154 174.877 174.700 0.037 0.000 1.035 241 T CA -0.765 61.350 62.100 0.025 0.000 1.028 241 T CB 0.987 69.856 68.868 0.001 0.000 1.109 241 T HN 0.208 nan 8.240 nan 0.000 0.514 242 I N 2.155 122.776 120.570 0.085 0.000 2.330 242 I HA 0.256 4.426 4.170 0.000 0.000 0.286 242 I C 0.355 176.544 176.117 0.120 0.000 1.025 242 I CA -0.667 60.668 61.300 0.058 0.000 1.197 242 I CB 1.048 39.056 38.000 0.013 0.000 1.358 242 I HN 0.926 nan 8.210 nan 0.000 0.467 243 S N 4.742 120.493 115.700 0.086 0.000 3.581 243 S HA -0.235 4.235 4.470 0.000 0.000 0.354 243 S C 1.242 175.912 174.600 0.117 0.000 1.059 243 S CA 0.918 59.200 58.200 0.137 0.000 1.060 243 S CB -1.152 62.176 63.200 0.212 0.000 0.908 243 S HN 1.284 nan 8.310 nan 0.000 0.475 244 G N -1.185 107.572 108.800 -0.071 0.000 2.258 244 G HA2 -0.270 3.690 3.960 0.000 0.000 0.233 244 G HA3 -0.270 3.690 3.960 0.000 0.000 0.233 244 G C -0.055 174.643 174.900 -0.338 0.000 1.006 244 G CA -0.008 44.822 45.100 -0.450 0.000 0.620 244 G HN 0.593 nan 8.290 nan 0.000 0.511 245 F N 1.124 121.155 119.950 0.136 0.000 2.379 245 F HA 0.739 5.266 4.527 0.000 0.000 0.332 245 F C 0.491 176.377 175.800 0.145 0.000 1.096 245 F CA -0.307 57.759 58.000 0.110 0.000 1.105 245 F CB 1.126 40.085 39.000 -0.068 0.000 1.189 245 F HN 0.401 nan 8.300 nan 0.000 0.515 246 Y N -0.349 120.044 120.300 0.154 0.000 2.624 246 Y HA 0.661 5.211 4.550 0.000 0.000 0.334 246 Y C -2.078 173.864 175.900 0.070 0.000 1.155 246 Y CA -2.560 55.615 58.100 0.126 0.000 1.046 246 Y CB 0.548 39.095 38.460 0.145 0.000 1.316 246 Y HN 0.362 nan 8.280 nan 0.000 0.457 247 F N 1.389 121.517 119.950 0.298 0.000 2.397 247 F HA 0.706 5.233 4.527 0.000 0.000 0.331 247 F C 0.580 176.766 175.800 0.643 0.000 1.090 247 F CA -0.396 57.817 58.000 0.355 0.000 1.065 247 F CB 2.100 41.360 39.000 0.434 0.000 1.184 247 F HN 0.622 nan 8.300 nan 0.000 0.499 248 S N 1.116 117.274 115.700 0.764 0.000 2.570 248 S HA 0.711 5.181 4.470 0.000 0.000 0.286 248 S C -1.118 173.671 174.600 0.315 0.000 1.099 248 S CA -0.445 58.130 58.200 0.625 0.000 0.913 248 S CB 1.636 65.154 63.200 0.529 0.000 1.085 248 S HN 0.545 nan 8.310 nan 0.000 0.480 249 S N 1.376 117.037 115.700 -0.064 0.000 2.538 249 S HA 0.413 4.883 4.470 0.000 0.000 0.288 249 S C 0.511 175.027 174.600 -0.140 0.000 1.108 249 S CA -0.729 57.295 58.200 -0.294 0.000 0.971 249 S CB 1.293 63.941 63.200 -0.920 0.000 1.041 249 S HN 0.756 nan 8.310 nan 0.000 0.483 250 K N 0.887 121.234 120.400 -0.088 0.000 2.057 250 K HA -0.023 4.297 4.320 0.000 0.000 0.206 250 K C 1.022 177.625 176.600 0.005 0.000 1.050 250 K CA 1.195 57.448 56.287 -0.057 0.000 0.935 250 K CB -0.305 32.175 32.500 -0.033 0.000 0.715 250 K HN 0.738 nan 8.250 nan 0.000 0.439 251 T N -0.584 113.961 114.554 -0.015 0.000 2.943 251 T HA 0.533 4.883 4.350 0.000 0.000 0.284 251 T C -0.585 174.133 174.700 0.030 0.000 1.015 251 T CA -1.045 61.065 62.100 0.017 0.000 1.042 251 T CB 1.878 70.720 68.868 -0.044 0.000 1.055 251 T HN -0.058 nan 8.240 nan 0.000 0.500 252 R N 0.051 120.574 120.500 0.039 0.000 2.518 252 R HA 0.567 4.907 4.340 0.000 0.000 0.296 252 R C 0.493 176.775 176.300 -0.031 0.000 1.080 252 R CA 0.491 56.574 56.100 -0.028 0.000 0.922 252 R CB 0.645 30.840 30.300 -0.174 0.000 1.184 252 R HN 1.408 nan 8.270 nan 0.000 0.445 253 G N 2.325 111.135 108.800 0.017 0.000 2.130 253 G HA2 -0.253 3.707 3.960 0.000 0.000 0.216 253 G HA3 -0.253 3.707 3.960 0.000 0.000 0.216 253 G C -0.330 174.636 174.900 0.110 0.000 0.999 253 G CA 0.412 45.562 45.100 0.084 0.000 0.686 253 G HN 0.682 nan 8.290 nan 0.000 0.515 254 Q N -1.164 118.578 119.800 -0.097 0.000 2.528 254 Q HA 0.790 5.130 4.340 0.000 0.000 0.289 254 Q C 1.510 176.970 176.000 -0.898 0.000 1.091 254 Q CA 0.117 55.660 55.803 -0.433 0.000 0.797 254 Q CB 1.281 29.901 28.738 -0.196 0.000 1.466 254 Q HN 0.794 nan 8.270 nan 0.000 0.436 255 A N 1.353 123.377 122.820 -1.327 0.000 1.978 255 A HA -0.104 4.216 4.320 0.000 0.000 0.220 255 A C 1.511 178.884 177.584 -0.352 0.000 1.170 255 A CA 1.351 52.832 52.037 -0.927 0.000 0.636 255 A CB -0.581 18.134 19.000 -0.475 0.000 0.810 255 A HN 0.673 nan 8.150 nan 0.000 0.448 256 L N -0.289 120.778 121.223 -0.260 0.000 2.591 256 L HA 0.047 4.387 4.340 0.000 0.000 0.228 256 L C -0.369 176.443 176.870 -0.096 0.000 1.133 256 L CA -0.453 54.311 54.840 -0.127 0.000 0.880 256 L CB -0.408 41.596 42.059 -0.092 0.000 1.033 256 L HN 0.158 nan 8.230 nan 0.000 0.450 257 D N 0.842 121.176 120.400 -0.110 0.000 2.586 257 D HA 0.014 4.654 4.640 0.000 0.000 0.234 257 D C 0.214 176.473 176.300 -0.068 0.000 1.132 257 D CA 0.837 54.770 54.000 -0.112 0.000 0.860 257 D CB 0.611 41.411 40.800 -0.000 0.000 1.159 257 D HN -0.106 nan 8.370 nan 0.000 0.490 258 S N 2.348 117.935 115.700 -0.188 0.000 2.706 258 S HA 0.332 4.802 4.470 0.000 0.000 0.270 258 S C -1.677 172.899 174.600 -0.040 0.000 1.163 258 S CA -0.827 57.361 58.200 -0.019 0.000 1.042 258 S CB 0.110 63.327 63.200 0.027 0.000 1.079 258 S HN 0.361 nan 8.310 nan 0.000 0.474 259 W N 3.419 124.895 121.300 0.293 0.000 2.332 259 W HA 0.457 5.117 4.660 0.000 0.000 0.306 259 W C 0.433 177.184 176.519 0.386 0.000 1.149 259 W CA -0.422 57.145 57.345 0.369 0.000 1.271 259 W CB 1.347 31.034 29.460 0.378 0.000 1.243 259 W HN 0.388 nan 8.180 nan 0.000 0.459 260 T N 4.519 119.357 114.554 0.473 0.000 2.823 260 T HA 0.311 4.661 4.350 0.000 0.000 0.279 260 T C -0.754 173.819 174.700 -0.211 0.000 0.998 260 T CA -0.748 61.386 62.100 0.056 0.000 0.994 260 T CB 1.083 69.781 68.868 -0.285 0.000 0.960 260 T HN 0.185 nan 8.240 nan 0.000 0.448 261 L N 4.535 125.502 121.223 -0.427 0.000 2.433 261 L HA 0.470 4.810 4.340 0.000 0.000 0.275 261 L C -1.342 174.906 176.870 -1.037 0.000 1.128 261 L CA 0.372 54.739 54.840 -0.788 0.000 0.875 261 L CB -0.695 41.036 42.059 -0.545 0.000 1.171 261 L HN 0.456 nan 8.230 nan 0.000 0.463 262 F N 4.651 124.214 119.950 -0.644 0.000 2.594 262 F HA 0.501 5.028 4.527 0.000 0.000 0.335 262 F C -0.726 174.919 175.800 -0.258 0.000 1.058 262 F CA -0.534 57.081 58.000 -0.643 0.000 0.981 262 F CB 1.351 39.897 39.000 -0.756 0.000 1.289 262 F HN 0.345 nan 8.300 nan 0.000 0.490 263 Y N -0.140 120.325 120.300 0.275 0.000 2.442 263 Y HA 0.596 5.146 4.550 0.000 0.000 0.344 263 Y C -1.004 174.998 175.900 0.172 0.000 0.976 263 Y CA -0.698 57.456 58.100 0.090 0.000 1.040 263 Y CB 1.941 40.393 38.460 -0.013 0.000 1.228 263 Y HN 0.521 nan 8.280 nan 0.000 0.451 264 T N 4.696 118.842 114.554 -0.679 0.000 2.812 264 T HA 0.181 4.531 4.350 0.000 0.000 0.282 264 T C 0.753 174.949 174.700 -0.839 0.000 0.990 264 T CA -0.387 61.404 62.100 -0.514 0.000 0.960 264 T CB 1.706 70.455 68.868 -0.198 0.000 0.948 264 T HN 0.823 nan 8.240 nan 0.000 0.438 265 T N 2.710 116.991 114.554 -0.456 0.000 2.708 265 T HA -0.101 4.249 4.350 0.000 0.000 0.266 265 T C 1.843 176.444 174.700 -0.165 0.000 1.037 265 T CA 1.483 63.449 62.100 -0.223 0.000 1.146 265 T CB -0.094 68.743 68.868 -0.053 0.000 0.865 265 T HN 0.725 nan 8.240 nan 0.000 0.435 266 N N 0.990 119.603 118.700 -0.144 0.000 2.184 266 N HA 0.042 4.782 4.740 0.000 0.000 0.206 266 N C 0.320 175.768 175.510 -0.103 0.000 1.151 266 N CA -0.118 52.872 53.050 -0.099 0.000 0.878 266 N CB -0.100 38.342 38.487 -0.074 0.000 1.014 266 N HN 0.430 nan 8.380 nan 0.000 0.512 267 T N -2.212 112.263 114.554 -0.133 0.000 2.952 267 T HA 0.339 4.689 4.350 0.000 0.000 0.286 267 T C -0.011 174.624 174.700 -0.109 0.000 1.024 267 T CA -0.890 61.136 62.100 -0.124 0.000 1.029 267 T CB 1.207 69.980 68.868 -0.158 0.000 1.094 267 T HN 0.044 nan 8.240 nan 0.000 0.515 268 N N 0.530 119.177 118.700 -0.089 0.000 2.356 268 N HA 0.033 4.773 4.740 0.000 0.000 0.252 268 N C -0.555 174.915 175.510 -0.065 0.000 1.241 268 N CA 0.235 53.245 53.050 -0.067 0.000 0.861 268 N CB 0.165 38.619 38.487 -0.055 0.000 1.075 268 N HN 0.490 nan 8.380 nan 0.000 0.461 269 R N 2.268 122.740 120.500 -0.047 0.000 2.437 269 R HA 0.341 4.681 4.340 0.000 0.000 0.310 269 R C -0.475 175.814 176.300 -0.018 0.000 0.955 269 R CA -1.118 54.962 56.100 -0.033 0.000 0.851 269 R CB 1.239 31.522 30.300 -0.029 0.000 1.161 269 R HN 0.460 nan 8.270 nan 0.000 0.446 270 V N 0.632 120.539 119.914 -0.011 0.000 3.139 270 V HA 0.067 4.187 4.120 0.000 0.000 0.307 270 V C -0.018 176.076 176.094 -0.000 0.000 1.095 270 V CA -0.214 62.083 62.300 -0.006 0.000 1.160 270 V CB 0.600 32.420 31.823 -0.004 0.000 1.003 270 V HN 0.747 nan 8.190 nan 0.000 0.489 271 Q N 2.852 122.655 119.800 0.005 0.000 2.571 271 Q HA 0.508 4.848 4.340 0.000 0.000 0.243 271 Q C -0.735 175.279 176.000 0.023 0.000 1.055 271 Q CA -0.337 55.473 55.803 0.012 0.000 0.815 271 Q CB 1.349 30.094 28.738 0.012 0.000 1.151 271 Q HN 0.785 nan 8.270 nan 0.000 0.519 272 I N 1.151 121.735 120.570 0.023 0.000 2.662 272 I HA -0.088 4.082 4.170 0.000 0.000 0.285 272 I C 1.263 177.407 176.117 0.046 0.000 1.161 272 I CA 0.648 61.979 61.300 0.053 0.000 1.415 272 I CB 0.775 38.798 38.000 0.038 0.000 1.385 272 I HN 0.504 nan 8.210 nan 0.000 0.552 273 T N 5.054 119.643 114.554 0.059 0.000 3.040 273 T HA 0.051 4.401 4.350 0.000 0.000 0.252 273 T C 0.428 175.109 174.700 -0.031 0.000 1.064 273 T CA 0.524 62.635 62.100 0.019 0.000 1.110 273 T CB 0.150 69.035 68.868 0.028 0.000 0.921 273 T HN 0.744 nan 8.240 nan 0.000 0.480 274 Q N -0.120 119.626 119.800 -0.090 0.000 2.687 274 Q HA 0.569 4.909 4.340 0.000 0.000 0.305 274 Q C -0.847 174.944 176.000 -0.350 0.000 1.006 274 Q CA -1.173 54.491 55.803 -0.233 0.000 0.763 274 Q CB 1.722 30.278 28.738 -0.303 0.000 1.506 274 Q HN -0.005 nan 8.270 nan 0.000 0.459 275 R N 0.536 120.837 120.500 -0.333 0.000 2.441 275 R HA 0.267 4.607 4.340 0.000 0.000 0.284 275 R C -1.029 174.926 176.300 -0.574 0.000 1.070 275 R CA -0.043 55.897 56.100 -0.268 0.000 1.047 275 R CB 0.640 30.861 30.300 -0.132 0.000 1.016 275 R HN 0.632 nan 8.270 nan 0.000 0.477 276 H N 3.747 122.664 119.070 -0.255 0.000 2.667 276 H HA 0.307 4.863 4.556 0.000 0.000 0.353 276 H C -1.524 173.507 175.328 -0.495 0.000 1.072 276 H CA -0.498 55.168 56.048 -0.636 0.000 1.214 276 H CB 1.648 30.576 29.762 -1.389 0.000 1.600 276 H HN 0.502 nan 8.280 nan 0.000 0.527 277 F N 1.748 121.479 119.950 -0.364 0.000 2.578 277 F HA 0.678 5.205 4.527 0.000 0.000 0.311 277 F C -1.540 174.311 175.800 0.086 0.000 1.094 277 F CA -0.461 57.425 58.000 -0.189 0.000 0.923 277 F CB 1.688 40.514 39.000 -0.289 0.000 1.230 277 F HN 0.648 nan 8.300 nan 0.000 0.450 278 A N 3.722 125.866 122.820 -1.128 0.000 2.547 278 A HA 0.639 4.959 4.320 0.000 0.000 0.297 278 A C -2.412 174.479 177.584 -1.154 0.000 1.056 278 A CA -0.518 51.083 52.037 -0.727 0.000 0.688 278 A CB 0.726 19.628 19.000 -0.163 0.000 1.282 278 A HN 0.633 nan 8.150 nan 0.000 0.400 279 Y N 0.707 120.768 120.300 -0.399 0.000 2.316 279 Y HA 0.491 5.041 4.550 0.000 0.000 0.331 279 Y C 0.173 176.106 175.900 0.054 0.000 1.083 279 Y CA -0.394 57.661 58.100 -0.074 0.000 1.206 279 Y CB 1.679 40.275 38.460 0.227 0.000 1.195 279 Y HN 0.375 nan 8.280 nan 0.000 0.497 280 V N 4.003 124.067 119.914 0.250 0.000 2.443 280 V HA 0.355 4.475 4.120 0.000 0.000 0.293 280 V C -0.248 176.079 176.094 0.388 0.000 1.021 280 V CA -1.118 61.338 62.300 0.260 0.000 0.848 280 V CB 0.966 32.889 31.823 0.167 0.000 0.998 280 V HN 0.993 nan 8.190 nan 0.000 0.424 281 C N 2.898 122.395 119.300 0.328 0.000 2.401 281 C HA 0.969 5.429 4.460 0.000 0.000 0.356 281 C C 0.630 175.712 174.990 0.154 0.000 1.192 281 C CA -0.731 58.468 59.018 0.302 0.000 2.028 281 C CB 1.070 28.853 27.740 0.070 0.000 2.344 281 C HN 1.088 nan 8.230 nan 0.000 0.525 282 A N 1.760 124.498 122.820 -0.138 0.000 2.276 282 A HA 0.511 4.831 4.320 0.000 0.000 0.300 282 A C 1.271 178.654 177.584 -0.336 0.000 1.235 282 A CA -0.523 51.160 52.037 -0.591 0.000 0.867 282 A CB 0.145 18.493 19.000 -1.086 0.000 1.137 282 A HN 1.077 nan 8.150 nan 0.000 0.527 283 R N 2.258 122.606 120.500 -0.253 0.000 2.062 283 R HA -0.036 4.304 4.340 0.000 0.000 0.226 283 R C 0.792 176.947 176.300 -0.242 0.000 1.125 283 R CA 1.532 57.517 56.100 -0.191 0.000 0.966 283 R CB -0.117 30.103 30.300 -0.133 0.000 0.861 283 R HN 0.757 nan 8.270 nan 0.000 0.433 284 S N 0.416 115.944 115.700 -0.286 0.000 2.586 284 S HA 0.268 4.738 4.470 0.000 0.000 0.274 284 S C -2.120 172.133 174.600 -0.579 0.000 1.281 284 S CA -1.517 56.382 58.200 -0.502 0.000 1.035 284 S CB 1.683 64.667 63.200 -0.360 0.000 0.962 284 S HN 0.055 nan 8.310 nan 0.000 0.512 285 P HA -0.038 nan 4.420 nan 0.000 0.230 285 P C 0.484 177.258 177.300 -0.876 0.000 1.158 285 P CA 0.778 63.205 63.100 -1.122 0.000 0.769 285 P CB -0.220 30.257 31.700 -2.038 0.000 0.807 286 D N -0.801 119.251 120.400 -0.580 0.000 2.384 286 D HA -0.207 4.433 4.640 0.000 0.000 0.222 286 D C 1.686 177.898 176.300 -0.147 0.000 0.976 286 D CA 0.306 54.181 54.000 -0.208 0.000 0.915 286 D CB -1.601 39.264 40.800 0.110 0.000 0.896 286 D HN 0.436 nan 8.370 nan 0.000 0.523 287 W N 1.712 122.864 121.300 -0.246 0.000 2.331 287 W HA -0.189 4.471 4.660 0.000 0.000 0.291 287 W C 0.906 177.395 176.519 -0.050 0.000 1.214 287 W CA 0.596 57.827 57.345 -0.190 0.000 1.228 287 W CB -1.000 28.263 29.460 -0.329 0.000 1.135 287 W HN -0.083 nan 8.180 nan 0.000 0.537 288 N N 1.317 119.406 118.700 -1.019 0.000 2.289 288 N HA -0.144 4.596 4.740 0.000 0.000 0.184 288 N C 1.700 177.054 175.510 -0.261 0.000 1.016 288 N CA 1.793 54.213 53.050 -1.050 0.000 0.872 288 N CB -0.179 37.585 38.487 -1.205 0.000 0.973 288 N HN 0.191 nan 8.380 nan 0.000 0.433 289 V N 0.473 120.361 119.914 -0.044 0.000 3.650 289 V HA 0.032 4.152 4.120 0.000 0.000 0.271 289 V C -0.095 176.177 176.094 0.297 0.000 1.281 289 V CA 0.206 62.680 62.300 0.290 0.000 1.120 289 V CB 0.071 32.145 31.823 0.419 0.000 0.856 289 V HN -0.000 nan 8.190 nan 0.000 0.443 290 D N 0.643 121.218 120.400 0.293 0.000 2.393 290 D HA 0.142 4.782 4.640 0.000 0.000 0.232 290 D C 1.123 177.648 176.300 0.375 0.000 1.192 290 D CA 0.039 54.274 54.000 0.391 0.000 0.882 290 D CB 1.277 42.358 40.800 0.467 0.000 1.038 290 D HN 0.265 nan 8.370 nan 0.000 0.499 291 K N 0.960 121.547 120.400 0.312 0.000 2.211 291 K HA -0.055 4.265 4.320 0.000 0.000 0.203 291 K C 1.771 178.483 176.600 0.185 0.000 1.050 291 K CA 0.715 57.140 56.287 0.230 0.000 0.945 291 K CB 0.339 32.951 32.500 0.187 0.000 0.732 291 K HN 0.199 nan 8.250 nan 0.000 0.451 292 S N 0.132 115.976 115.700 0.241 0.000 2.377 292 S HA -0.093 4.377 4.470 0.000 0.000 0.223 292 S C 1.276 175.696 174.600 -0.299 0.000 1.030 292 S CA 0.309 58.519 58.200 0.018 0.000 0.970 292 S CB -0.172 63.117 63.200 0.148 0.000 0.830 292 S HN 0.459 nan 8.310 nan 0.000 0.473 293 W N 2.171 123.417 121.300 -0.089 0.000 2.338 293 W HA -0.077 4.583 4.660 0.000 0.000 0.304 293 W C 1.633 178.160 176.519 0.013 0.000 1.212 293 W CA 1.042 58.381 57.345 -0.010 0.000 1.264 293 W CB -0.441 29.134 29.460 0.192 0.000 1.142 293 W HN 0.263 nan 8.180 nan 0.000 0.512 294 I N 0.689 121.440 120.570 0.303 0.000 2.286 294 I HA -0.249 3.921 4.170 0.000 0.000 0.245 294 I C 2.700 178.849 176.117 0.052 0.000 1.104 294 I CA 1.448 62.900 61.300 0.254 0.000 1.397 294 I CB -0.862 37.331 38.000 0.322 0.000 1.072 294 I HN -0.138 nan 8.210 nan 0.000 0.417 295 A N 0.641 123.433 122.820 -0.047 0.000 1.902 295 A HA -0.172 4.148 4.320 0.000 0.000 0.217 295 A C 2.500 179.938 177.584 -0.243 0.000 1.181 295 A CA 1.830 53.757 52.037 -0.183 0.000 0.623 295 A CB -0.861 17.946 19.000 -0.322 0.000 0.818 295 A HN 0.419 nan 8.150 nan 0.000 0.443 296 A N -0.422 122.228 122.820 -0.285 0.000 2.015 296 A HA 0.227 4.547 4.320 0.000 0.000 0.219 296 A C 2.362 179.842 177.584 -0.173 0.000 1.163 296 A CA 1.799 53.690 52.037 -0.245 0.000 0.646 296 A CB -0.711 18.009 19.000 -0.467 0.000 0.806 296 A HN 1.004 nan 8.150 nan 0.000 0.448 297 A N -0.200 122.527 122.820 -0.155 0.000 2.016 297 A HA -0.076 4.244 4.320 0.000 0.000 0.217 297 A C 1.944 179.530 177.584 0.003 0.000 1.162 297 A CA 1.179 53.186 52.037 -0.051 0.000 0.662 297 A CB -0.428 18.586 19.000 0.024 0.000 0.812 297 A HN 0.588 nan 8.150 nan 0.000 0.450 298 N N 0.219 118.911 118.700 -0.013 0.000 2.135 298 N HA -0.036 4.704 4.740 0.000 0.000 0.186 298 N C 1.753 177.252 175.510 -0.018 0.000 1.027 298 N CA 1.175 54.224 53.050 -0.002 0.000 0.849 298 N CB -0.260 38.221 38.487 -0.011 0.000 1.002 298 N HN 0.406 nan 8.380 nan 0.000 0.425 299 L N 1.139 122.334 121.223 -0.048 0.000 2.043 299 L HA -0.193 4.147 4.340 0.000 0.000 0.212 299 L C 2.349 179.219 176.870 0.000 0.000 1.075 299 L CA 1.284 56.104 54.840 -0.034 0.000 0.752 299 L CB -1.127 40.912 42.059 -0.033 0.000 0.891 299 L HN 0.188 nan 8.230 nan 0.000 0.432 300 T N 0.044 114.618 114.554 0.033 0.000 2.653 300 T HA -0.269 4.081 4.350 0.000 0.000 0.268 300 T C 1.937 176.675 174.700 0.064 0.000 1.035 300 T CA 1.683 63.838 62.100 0.091 0.000 1.154 300 T CB -0.248 68.707 68.868 0.145 0.000 0.862 300 T HN 0.513 nan 8.240 nan 0.000 0.441 301 A N 0.804 123.655 122.820 0.052 0.000 1.898 301 A HA 0.014 4.334 4.320 0.000 0.000 0.216 301 A C 2.273 179.861 177.584 0.006 0.000 1.181 301 A CA 1.169 53.230 52.037 0.040 0.000 0.620 301 A CB -0.681 18.342 19.000 0.038 0.000 0.819 301 A HN 0.558 nan 8.150 nan 0.000 0.442 302 I N -0.483 120.082 120.570 -0.009 0.000 2.179 302 I HA -0.224 3.946 4.170 0.000 0.000 0.242 302 I C 2.320 178.411 176.117 -0.044 0.000 1.088 302 I CA 1.189 62.475 61.300 -0.022 0.000 1.357 302 I CB -0.596 37.380 38.000 -0.040 0.000 1.051 302 I HN 0.129 nan 8.210 nan 0.000 0.409 303 V N 0.696 120.561 119.914 -0.083 0.000 2.332 303 V HA -0.320 3.800 4.120 0.000 0.000 0.248 303 V C 2.457 178.403 176.094 -0.247 0.000 1.055 303 V CA 2.117 64.303 62.300 -0.189 0.000 1.038 303 V CB -0.460 31.200 31.823 -0.272 0.000 0.651 303 V HN 0.409 nan 8.190 nan 0.000 0.450 304 M N -0.858 118.645 119.600 -0.161 0.000 2.288 304 M HA -0.016 4.464 4.480 0.000 0.000 0.266 304 M C 2.358 178.672 176.300 0.023 0.000 1.072 304 M CA 1.504 56.759 55.300 -0.075 0.000 1.132 304 M CB -0.478 32.166 32.600 0.073 0.000 1.386 304 M HN 0.379 nan 8.290 nan 0.000 0.432 305 A N 0.419 123.276 122.820 0.062 0.000 1.940 305 A HA -0.226 4.094 4.320 0.000 0.000 0.219 305 A C 2.274 179.932 177.584 0.123 0.000 1.176 305 A CA 1.972 54.123 52.037 0.190 0.000 0.631 305 A CB -1.307 17.801 19.000 0.180 0.000 0.814 305 A HN 0.782 nan 8.150 nan 0.000 0.446 306 C N -0.798 118.519 119.300 0.028 0.000 2.562 306 C HA 0.483 4.943 4.460 0.000 0.000 0.266 306 C C 1.163 176.128 174.990 -0.042 0.000 1.382 306 C CA -0.075 58.942 59.018 -0.001 0.000 1.742 306 C CB -1.671 26.058 27.740 -0.018 0.000 1.812 306 C HN 0.655 nan 8.230 nan 0.000 0.559 307 R N -1.114 119.351 120.500 -0.059 0.000 2.885 307 R HA 0.591 4.931 4.340 0.000 0.000 0.260 307 R C -1.205 175.049 176.300 -0.078 0.000 1.107 307 R CA -0.639 55.414 56.100 -0.079 0.000 0.978 307 R CB 0.275 30.518 30.300 -0.095 0.000 1.227 307 R HN -0.011 nan 8.270 nan 0.000 0.473 308 Q N 1.804 121.556 119.800 -0.080 0.000 2.377 308 Q HA 0.355 4.695 4.340 0.000 0.000 0.249 308 Q C -2.122 173.841 176.000 -0.062 0.000 1.005 308 Q CA -1.846 53.916 55.803 -0.069 0.000 0.912 308 Q CB 1.462 30.154 28.738 -0.075 0.000 1.223 308 Q HN 0.454 nan 8.270 nan 0.000 0.459 309 P HA 0.383 nan 4.420 nan 0.000 0.281 309 P C -2.506 174.721 177.300 -0.121 0.000 1.281 309 P CA -1.902 61.186 63.100 -0.020 0.000 0.811 309 P CB -0.179 31.589 31.700 0.113 0.000 1.154 310 P HA -0.031 nan 4.420 nan 0.000 0.263 310 P C -0.461 176.732 177.300 -0.178 0.000 1.175 310 P CA 0.405 63.339 63.100 -0.277 0.000 0.761 310 P CB 0.030 31.385 31.700 -0.575 0.000 0.794 311 V N 4.841 124.671 119.914 -0.141 0.000 2.555 311 V HA 0.075 4.195 4.120 0.000 0.000 0.286 311 V C 0.550 176.591 176.094 -0.089 0.000 1.044 311 V CA -0.028 62.182 62.300 -0.150 0.000 1.026 311 V CB -0.609 31.180 31.823 -0.058 0.000 0.981 311 V HN 0.335 nan 8.190 nan 0.000 0.480 312 F N 2.854 122.723 119.950 -0.135 0.000 2.518 312 F HA 0.407 4.934 4.527 0.000 0.000 0.359 312 F C 1.057 176.829 175.800 -0.047 0.000 1.118 312 F CA 0.067 57.990 58.000 -0.129 0.000 1.287 312 F CB 0.391 39.171 39.000 -0.367 0.000 1.132 312 F HN 0.616 nan 8.300 nan 0.000 0.587 313 A N 3.383 126.340 122.820 0.227 0.000 2.498 313 A HA 0.066 4.386 4.320 0.000 0.000 0.239 313 A C 1.402 179.039 177.584 0.089 0.000 1.068 313 A CA -0.470 51.641 52.037 0.124 0.000 0.766 313 A CB 0.049 19.104 19.000 0.093 0.000 1.003 313 A HN 0.826 nan 8.150 nan 0.000 0.497 314 N N 0.797 119.535 118.700 0.064 0.000 2.149 314 N HA -0.173 4.567 4.740 0.000 0.000 0.188 314 N C 1.592 177.110 175.510 0.013 0.000 1.019 314 N CA 1.718 54.795 53.050 0.045 0.000 0.857 314 N CB -0.203 38.311 38.487 0.045 0.000 0.997 314 N HN 0.840 nan 8.380 nan 0.000 0.426 315 Q N -0.493 119.312 119.800 0.009 0.000 2.437 315 Q HA 0.007 4.347 4.340 0.000 0.000 0.210 315 Q C 1.560 177.538 176.000 -0.038 0.000 0.972 315 Q CA 0.755 56.552 55.803 -0.010 0.000 0.903 315 Q CB -0.059 28.675 28.738 -0.006 0.000 0.967 315 Q HN 0.386 nan 8.270 nan 0.000 0.486 316 G N -0.100 108.670 108.800 -0.049 0.000 2.683 316 G HA2 0.059 4.019 3.960 0.000 0.000 0.213 316 G HA3 0.059 4.019 3.960 0.000 0.000 0.213 316 G C 0.481 175.256 174.900 -0.208 0.000 1.142 316 G CA 0.576 45.611 45.100 -0.108 0.000 0.793 316 G HN 0.240 nan 8.290 nan 0.000 0.534 317 V N -0.791 119.015 119.914 -0.180 0.000 2.919 317 V HA 0.718 4.838 4.120 0.000 0.000 0.316 317 V C 0.521 176.554 176.094 -0.100 0.000 1.077 317 V CA -2.001 60.178 62.300 -0.202 0.000 0.977 317 V CB 1.673 33.377 31.823 -0.198 0.000 1.039 317 V HN 0.355 nan 8.190 nan 0.000 0.441 318 I N 0.165 120.684 120.570 -0.085 0.000 3.045 318 I HA 0.117 4.287 4.170 0.000 0.000 0.288 318 I C 1.469 177.585 176.117 -0.001 0.000 1.238 318 I CA 0.216 61.501 61.300 -0.025 0.000 1.396 318 I CB 0.012 38.024 38.000 0.021 0.000 1.355 318 I HN 0.766 nan 8.210 nan 0.000 0.601 319 N N 2.109 120.824 118.700 0.025 0.000 2.094 319 N HA -0.238 4.502 4.740 0.000 0.000 0.191 319 N C 1.507 177.065 175.510 0.079 0.000 1.023 319 N CA 2.066 55.143 53.050 0.044 0.000 0.857 319 N CB -0.101 38.410 38.487 0.041 0.000 1.013 319 N HN 0.689 nan 8.380 nan 0.000 0.426 320 Q N -0.120 119.750 119.800 0.116 0.000 2.437 320 Q HA 0.082 4.422 4.340 0.000 0.000 0.210 320 Q C 1.337 177.457 176.000 0.200 0.000 0.972 320 Q CA 0.787 56.714 55.803 0.207 0.000 0.903 320 Q CB 0.184 29.086 28.738 0.273 0.000 0.967 320 Q HN 0.322 nan 8.270 nan 0.000 0.486 321 A N -0.278 122.512 122.820 -0.051 0.000 2.348 321 A HA 0.102 4.422 4.320 0.000 0.000 0.224 321 A C 0.248 177.934 177.584 0.170 0.000 1.227 321 A CA -0.252 51.643 52.037 -0.236 0.000 0.885 321 A CB 0.287 18.876 19.000 -0.685 0.000 0.933 321 A HN 0.220 nan 8.150 nan 0.000 0.506 322 Q N 0.263 120.147 119.800 0.141 0.000 2.306 322 Q HA 0.253 4.593 4.340 0.000 0.000 0.241 322 Q C -0.344 175.731 176.000 0.124 0.000 0.948 322 Q CA -0.685 55.194 55.803 0.127 0.000 0.886 322 Q CB 0.379 29.166 28.738 0.081 0.000 1.227 322 Q HN 0.404 nan 8.270 nan 0.000 0.457 323 N N 0.687 119.443 118.700 0.093 0.000 2.747 323 N HA -0.178 4.562 4.740 0.000 0.000 0.249 323 N C -0.945 174.558 175.510 -0.012 0.000 1.107 323 N CA 0.780 53.858 53.050 0.047 0.000 0.707 323 N CB -0.738 37.776 38.487 0.045 0.000 1.054 323 N HN 0.443 nan 8.380 nan 0.000 0.555 324 R N 1.344 121.818 120.500 -0.043 0.000 2.205 324 R HA 0.341 4.681 4.340 0.000 0.000 0.342 324 R C -2.468 173.741 176.300 -0.152 0.000 1.058 324 R CA -1.743 54.181 56.100 -0.293 0.000 0.904 324 R CB 0.583 30.372 30.300 -0.852 0.000 1.089 324 R HN -0.087 nan 8.270 nan 0.000 0.471 325 P HA 0.020 nan 4.420 nan 0.000 0.258 325 P C 0.382 177.650 177.300 -0.053 0.000 1.172 325 P CA 1.404 64.459 63.100 -0.075 0.000 0.762 325 P CB 0.706 32.359 31.700 -0.078 0.000 0.764 326 G N 2.064 110.859 108.800 -0.009 0.000 2.217 326 G HA2 -0.350 3.610 3.960 0.000 0.000 0.246 326 G HA3 -0.350 3.610 3.960 0.000 0.000 0.246 326 G C 0.484 175.429 174.900 0.075 0.000 0.990 326 G CA 0.246 45.352 45.100 0.010 0.000 0.627 326 G HN 0.523 nan 8.290 nan 0.000 0.522 327 F N 1.767 121.679 119.950 -0.064 0.000 2.532 327 F HA 0.506 5.033 4.527 0.000 0.000 0.276 327 F C 1.131 177.007 175.800 0.127 0.000 0.911 327 F CA 1.494 59.509 58.000 0.024 0.000 1.196 327 F CB 0.596 39.579 39.000 -0.029 0.000 1.087 327 F HN 0.516 nan 8.300 nan 0.000 0.775 328 S N 1.391 117.234 115.700 0.237 0.000 2.569 328 S HA 0.761 5.231 4.470 0.000 0.000 0.280 328 S C -0.769 173.893 174.600 0.103 0.000 1.111 328 S CA -0.604 57.700 58.200 0.173 0.000 0.887 328 S CB 2.319 65.692 63.200 0.289 0.000 1.095 328 S HN 0.393 nan 8.310 nan 0.000 0.476 329 M N 0.250 119.899 119.600 0.083 0.000 2.643 329 M HA 0.537 5.017 4.480 0.000 0.000 0.276 329 M C -2.002 174.330 176.300 0.052 0.000 1.200 329 M CA -0.825 54.508 55.300 0.054 0.000 0.863 329 M CB 1.459 34.080 32.600 0.036 0.000 1.711 329 M HN 0.425 nan 8.290 nan 0.000 0.492 330 N N 1.322 120.046 118.700 0.041 0.000 2.438 330 N HA 0.344 5.084 4.740 0.000 0.000 0.267 330 N C 0.870 176.400 175.510 0.035 0.000 1.222 330 N CA 1.773 54.845 53.050 0.036 0.000 0.930 330 N CB 1.001 39.505 38.487 0.030 0.000 1.083 330 N HN 1.049 nan 8.380 nan 0.000 0.476 331 G N 1.134 109.958 108.800 0.039 0.000 2.144 331 G HA2 -0.189 3.771 3.960 0.000 0.000 0.218 331 G HA3 -0.189 3.771 3.960 0.000 0.000 0.218 331 G C 0.587 175.516 174.900 0.049 0.000 0.988 331 G CA -0.118 45.006 45.100 0.039 0.000 0.659 331 G HN 0.816 nan 8.290 nan 0.000 0.522 332 G N -0.587 108.250 108.800 0.062 0.000 2.570 332 G HA2 0.494 4.454 3.960 0.000 0.000 0.276 332 G HA3 0.494 4.454 3.960 0.000 0.000 0.276 332 G C 0.365 175.332 174.900 0.111 0.000 1.346 332 G CA 0.556 45.703 45.100 0.078 0.000 1.034 332 G HN 0.616 nan 8.290 nan 0.000 0.512 333 T N 2.708 117.356 114.554 0.157 0.000 2.834 333 T HA 0.362 4.712 4.350 0.000 0.000 0.298 333 T C -2.111 172.757 174.700 0.280 0.000 0.966 333 T CA -0.408 61.830 62.100 0.230 0.000 1.141 333 T CB 1.281 70.336 68.868 0.312 0.000 0.905 333 T HN 0.197 nan 8.240 nan 0.000 0.535 334 P HA 0.204 nan 4.420 nan 0.000 0.272 334 P C -0.837 176.521 177.300 0.096 0.000 1.223 334 P CA -0.484 62.651 63.100 0.058 0.000 0.784 334 P CB 0.456 32.084 31.700 -0.120 0.000 0.923 335 V N 3.243 123.168 119.914 0.018 0.000 2.318 335 V HA 0.166 4.286 4.120 0.000 0.000 0.271 335 V C 0.257 176.283 176.094 -0.114 0.000 1.030 335 V CA -0.373 61.969 62.300 0.070 0.000 0.844 335 V CB -0.635 31.219 31.823 0.052 0.000 1.015 335 V HN 0.538 nan 8.190 nan 0.000 0.460 336 H N 2.923 122.054 119.070 0.101 0.000 2.629 336 H HA 0.435 4.991 4.556 0.000 0.000 0.357 336 H C 0.416 175.779 175.328 0.059 0.000 1.121 336 H CA -0.105 55.974 56.048 0.052 0.000 1.406 336 H CB 0.746 30.515 29.762 0.011 0.000 1.456 336 H HN 0.806 nan 8.280 nan 0.000 0.579 337 E N 2.527 122.803 120.200 0.127 0.000 2.256 337 E HA 0.528 4.878 4.350 0.000 0.000 0.267 337 E C -1.422 175.207 176.600 0.047 0.000 0.892 337 E CA -0.907 55.529 56.400 0.060 0.000 0.775 337 E CB 1.760 31.459 29.700 -0.002 0.000 1.207 337 E HN 0.389 nan 8.360 nan 0.000 0.420 338 L N 2.679 123.899 121.223 -0.005 0.000 2.376 338 L HA 0.352 4.693 4.340 0.000 0.000 0.275 338 L C -0.207 176.593 176.870 -0.116 0.000 0.987 338 L CA -1.076 53.741 54.840 -0.039 0.000 0.828 338 L CB 1.794 43.863 42.059 0.016 0.000 1.249 338 L HN 0.652 nan 8.230 nan 0.000 0.409 339 N N 3.672 122.331 118.700 -0.070 0.000 2.452 339 N HA 0.093 4.833 4.740 0.000 0.000 0.266 339 N C 0.886 176.367 175.510 -0.048 0.000 1.209 339 N CA 0.021 53.034 53.050 -0.061 0.000 0.929 339 N CB 1.213 39.692 38.487 -0.014 0.000 1.063 339 N HN 0.665 nan 8.380 nan 0.000 0.472 340 L N 3.213 124.407 121.223 -0.047 0.000 2.093 340 L HA -0.188 4.152 4.340 0.000 0.000 0.208 340 L C 2.133 179.015 176.870 0.019 0.000 1.085 340 L CA 0.768 55.611 54.840 0.004 0.000 0.755 340 L CB -0.298 41.792 42.059 0.051 0.000 0.904 340 L HN 0.522 nan 8.230 nan 0.000 0.435 341 L N -0.174 121.081 121.223 0.053 0.000 2.005 341 L HA -0.153 4.187 4.340 0.000 0.000 0.207 341 L C 2.498 179.360 176.870 -0.013 0.000 1.072 341 L CA 2.087 56.952 54.840 0.041 0.000 0.744 341 L CB -0.835 41.266 42.059 0.070 0.000 0.895 341 L HN 0.130 nan 8.230 nan 0.000 0.433 342 T N -0.950 113.597 114.554 -0.011 0.000 2.680 342 T HA -0.241 4.109 4.350 0.000 0.000 0.268 342 T C 1.684 176.336 174.700 -0.079 0.000 1.033 342 T CA 2.140 64.218 62.100 -0.037 0.000 1.152 342 T CB -0.775 68.079 68.868 -0.023 0.000 0.859 342 T HN 0.483 nan 8.240 nan 0.000 0.452 343 T N 1.645 116.141 114.554 -0.098 0.000 2.812 343 T HA 0.131 4.481 4.350 0.000 0.000 0.264 343 T C 2.492 177.040 174.700 -0.253 0.000 1.042 343 T CA 0.929 62.931 62.100 -0.164 0.000 1.140 343 T CB -0.572 68.207 68.868 -0.148 0.000 0.870 343 T HN 0.459 nan 8.240 nan 0.000 0.445 344 A N 1.727 124.408 122.820 -0.232 0.000 1.883 344 A HA -0.233 4.087 4.320 0.000 0.000 0.217 344 A C 2.293 179.739 177.584 -0.230 0.000 1.186 344 A CA 1.797 53.689 52.037 -0.241 0.000 0.624 344 A CB -0.769 18.159 19.000 -0.120 0.000 0.822 344 A HN 0.556 nan 8.150 nan 0.000 0.444 345 Q N -0.907 118.802 119.800 -0.152 0.000 2.084 345 Q HA -0.179 4.161 4.340 0.000 0.000 0.202 345 Q C 2.071 177.975 176.000 -0.161 0.000 0.978 345 Q CA 1.460 57.187 55.803 -0.128 0.000 0.844 345 Q CB -0.162 28.529 28.738 -0.078 0.000 0.898 345 Q HN 0.592 nan 8.270 nan 0.000 0.426 346 E N 0.199 120.298 120.200 -0.168 0.000 2.072 346 E HA -0.169 4.181 4.350 0.000 0.000 0.191 346 E C 2.132 178.584 176.600 -0.248 0.000 0.985 346 E CA 0.657 56.956 56.400 -0.170 0.000 0.801 346 E CB -0.626 28.989 29.700 -0.141 0.000 0.750 346 E HN 0.362 nan 8.360 nan 0.000 0.452 347 C N 0.969 120.057 119.300 -0.353 0.000 2.393 347 C HA -0.175 4.285 4.460 0.000 0.000 0.276 347 C C 2.757 177.284 174.990 -0.771 0.000 1.215 347 C CA 0.844 59.524 59.018 -0.563 0.000 1.743 347 C CB -1.185 26.167 27.740 -0.646 0.000 2.044 347 C HN 0.368 nan 8.230 nan 0.000 0.464 348 I N 0.262 120.458 120.570 -0.623 0.000 2.264 348 I HA -0.202 3.968 4.170 0.000 0.000 0.248 348 I C 2.931 178.964 176.117 -0.139 0.000 1.111 348 I CA 1.854 62.922 61.300 -0.387 0.000 1.382 348 I CB -0.653 37.229 38.000 -0.198 0.000 1.060 348 I HN 0.384 nan 8.210 nan 0.000 0.418 349 R N 0.450 120.867 120.500 -0.139 0.000 2.096 349 R HA -0.180 4.160 4.340 0.000 0.000 0.235 349 R C 2.369 178.653 176.300 -0.026 0.000 1.127 349 R CA 1.247 57.310 56.100 -0.062 0.000 0.968 349 R CB -0.007 30.250 30.300 -0.071 0.000 0.861 349 R HN 0.373 nan 8.270 nan 0.000 0.440 350 Q N -0.643 119.117 119.800 -0.066 0.000 2.124 350 Q HA -0.198 4.142 4.340 0.000 0.000 0.202 350 Q C 1.820 177.927 176.000 0.179 0.000 0.977 350 Q CA 1.181 56.992 55.803 0.013 0.000 0.850 350 Q CB -0.202 28.519 28.738 -0.028 0.000 0.901 350 Q HN 0.453 nan 8.270 nan 0.000 0.429 351 W N 0.248 121.542 121.300 -0.011 0.000 2.388 351 W HA -0.053 4.607 4.660 0.000 0.000 0.294 351 W C 2.256 178.764 176.519 -0.019 0.000 1.212 351 W CA 0.094 57.432 57.345 -0.011 0.000 1.271 351 W CB -1.047 28.414 29.460 0.002 0.000 1.126 351 W HN -0.085 nan 8.180 nan 0.000 0.535 352 V N 0.532 120.575 119.914 0.214 0.000 2.307 352 V HA -0.327 3.793 4.120 0.000 0.000 0.245 352 V C 2.290 178.426 176.094 0.070 0.000 1.045 352 V CA 1.939 64.304 62.300 0.109 0.000 1.024 352 V CB -0.839 31.026 31.823 0.070 0.000 0.651 352 V HN 0.063 nan 8.190 nan 0.000 0.449 353 M N -0.162 119.476 119.600 0.063 0.000 2.159 353 M HA -0.136 4.344 4.480 0.000 0.000 0.263 353 M C 2.111 178.430 176.300 0.032 0.000 1.063 353 M CA 1.969 57.290 55.300 0.036 0.000 1.110 353 M CB -0.430 32.184 32.600 0.024 0.000 1.374 353 M HN 0.393 nan 8.290 nan 0.000 0.411 354 A N -0.453 122.398 122.820 0.053 0.000 2.206 354 A HA 0.277 4.597 4.320 0.000 0.000 0.211 354 A C 1.662 179.244 177.584 -0.003 0.000 1.158 354 A CA 0.906 52.957 52.037 0.024 0.000 0.761 354 A CB -0.854 18.170 19.000 0.040 0.000 0.801 354 A HN 0.657 nan 8.150 nan 0.000 0.473 355 G N -1.162 107.644 108.800 0.010 0.000 2.143 355 G HA2 -0.272 3.688 3.960 0.000 0.000 0.248 355 G HA3 -0.272 3.688 3.960 0.000 0.000 0.248 355 G C 0.727 175.609 174.900 -0.031 0.000 0.991 355 G CA 0.549 45.644 45.100 -0.009 0.000 0.689 355 G HN 0.439 nan 8.290 nan 0.000 0.522 356 L N -0.709 120.494 121.223 -0.033 0.000 2.179 356 L HA 0.251 4.591 4.340 0.000 0.000 0.208 356 L C 1.588 178.404 176.870 -0.090 0.000 1.096 356 L CA 1.449 56.225 54.840 -0.107 0.000 0.779 356 L CB -0.173 41.760 42.059 -0.211 0.000 0.922 356 L HN 0.502 nan 8.230 nan 0.000 0.443 357 V N -4.836 115.074 119.914 -0.006 0.000 3.102 357 V HA 0.586 4.706 4.120 0.000 0.000 0.312 357 V C 0.096 176.207 176.094 0.027 0.000 1.135 357 V CA -1.047 61.262 62.300 0.014 0.000 1.022 357 V CB 1.548 33.412 31.823 0.069 0.000 1.056 357 V HN 0.123 nan 8.190 nan 0.000 0.436 358 S N 1.616 117.326 115.700 0.017 0.000 2.589 358 S HA 0.532 5.002 4.470 0.000 0.000 0.265 358 S C 1.373 175.990 174.600 0.028 0.000 1.342 358 S CA 0.065 58.275 58.200 0.016 0.000 1.005 358 S CB 1.078 64.282 63.200 0.008 0.000 0.909 358 S HN 1.936 nan 8.310 nan 0.000 0.555 359 A N 1.252 124.085 122.820 0.021 0.000 2.019 359 A HA 0.177 4.497 4.320 0.000 0.000 0.219 359 A C 2.282 179.878 177.584 0.020 0.000 1.164 359 A CA 1.506 53.556 52.037 0.021 0.000 0.644 359 A CB -1.467 17.541 19.000 0.013 0.000 0.805 359 A HN 1.220 nan 8.150 nan 0.000 0.449 360 A N -0.501 122.329 122.820 0.016 0.000 1.929 360 A HA -0.064 4.256 4.320 0.000 0.000 0.216 360 A C 2.119 179.715 177.584 0.021 0.000 1.176 360 A CA 1.606 53.652 52.037 0.015 0.000 0.628 360 A CB -0.336 18.670 19.000 0.010 0.000 0.816 360 A HN 0.434 nan 8.150 nan 0.000 0.444 361 K N -0.368 120.048 120.400 0.026 0.000 2.217 361 K HA -0.077 4.243 4.320 0.000 0.000 0.202 361 K C 1.968 178.602 176.600 0.056 0.000 1.051 361 K CA 0.963 57.272 56.287 0.037 0.000 0.952 361 K CB -0.370 32.151 32.500 0.034 0.000 0.736 361 K HN 0.428 nan 8.250 nan 0.000 0.453 362 G N 0.926 109.762 108.800 0.060 0.000 2.418 362 G HA2 -0.270 3.690 3.960 0.000 0.000 0.217 362 G HA3 -0.270 3.690 3.960 0.000 0.000 0.217 362 G C 1.339 176.260 174.900 0.036 0.000 1.158 362 G CA 0.441 45.579 45.100 0.063 0.000 0.771 362 G HN 0.375 nan 8.290 nan 0.000 0.545 363 Q N -0.019 119.796 119.800 0.026 0.000 2.083 363 Q HA 0.081 4.421 4.340 0.000 0.000 0.198 363 Q C 3.072 179.082 176.000 0.018 0.000 0.969 363 Q CA 0.920 56.732 55.803 0.016 0.000 0.838 363 Q CB -0.210 28.534 28.738 0.011 0.000 0.900 363 Q HN 0.466 nan 8.270 nan 0.000 0.436 364 A N 1.153 123.987 122.820 0.023 0.000 1.883 364 A HA -0.198 4.122 4.320 0.000 0.000 0.217 364 A C 2.086 179.687 177.584 0.028 0.000 1.186 364 A CA 1.269 53.319 52.037 0.023 0.000 0.624 364 A CB -0.801 18.213 19.000 0.024 0.000 0.822 364 A HN 0.283 nan 8.150 nan 0.000 0.444 365 L N -0.913 120.333 121.223 0.038 0.000 2.017 365 L HA -0.170 4.170 4.340 0.000 0.000 0.208 365 L C 2.843 179.725 176.870 0.021 0.000 1.073 365 L CA 1.807 56.673 54.840 0.043 0.000 0.745 365 L CB -0.903 41.205 42.059 0.081 0.000 0.894 365 L HN 0.359 nan 8.230 nan 0.000 0.432 366 T N -1.351 113.209 114.554 0.010 0.000 2.720 366 T HA -0.283 4.067 4.350 0.000 0.000 0.268 366 T C 1.854 176.559 174.700 0.009 0.000 1.037 366 T CA 1.508 63.606 62.100 -0.003 0.000 1.144 366 T CB -0.177 68.685 68.868 -0.010 0.000 0.864 366 T HN 0.181 nan 8.240 nan 0.000 0.444 367 Q N 1.185 120.993 119.800 0.013 0.000 2.124 367 Q HA -0.092 4.248 4.340 0.000 0.000 0.202 367 Q C 2.024 178.042 176.000 0.031 0.000 0.977 367 Q CA 1.654 57.467 55.803 0.017 0.000 0.850 367 Q CB -0.244 28.502 28.738 0.014 0.000 0.901 367 Q HN 0.648 nan 8.270 nan 0.000 0.429 368 E N -0.620 119.602 120.200 0.036 0.000 2.150 368 E HA -0.091 4.259 4.350 0.000 0.000 0.193 368 E C 1.824 178.476 176.600 0.086 0.000 0.985 368 E CA 0.804 57.236 56.400 0.052 0.000 0.814 368 E CB -0.192 29.528 29.700 0.033 0.000 0.752 368 E HN 0.428 nan 8.360 nan 0.000 0.466 369 A N 2.035 124.895 122.820 0.067 0.000 1.841 369 A HA -0.219 4.101 4.320 0.000 0.000 0.214 369 A C 1.924 179.571 177.584 0.105 0.000 1.195 369 A CA 1.517 53.611 52.037 0.096 0.000 0.611 369 A CB -0.551 18.472 19.000 0.039 0.000 0.835 369 A HN 0.112 nan 8.150 nan 0.000 0.443 370 N N 0.686 119.415 118.700 0.048 0.000 2.094 370 N HA -0.162 4.578 4.740 0.000 0.000 0.191 370 N C 1.192 176.712 175.510 0.018 0.000 1.023 370 N CA 1.760 54.821 53.050 0.018 0.000 0.857 370 N CB -0.520 37.967 38.487 0.000 0.000 1.013 370 N HN 0.476 nan 8.380 nan 0.000 0.426 371 D N -0.220 120.209 120.400 0.048 0.000 2.097 371 D HA -0.091 4.550 4.640 0.000 0.000 0.197 371 D C 1.712 178.062 176.300 0.083 0.000 0.984 371 D CA 0.436 54.466 54.000 0.050 0.000 0.826 371 D CB -0.493 40.343 40.800 0.059 0.000 0.973 371 D HN 0.184 nan 8.370 nan 0.000 0.460 372 F N 1.235 121.182 119.950 -0.006 0.000 2.171 372 F HA -0.158 4.369 4.527 0.000 0.000 0.300 372 F C 2.451 178.251 175.800 -0.000 0.000 1.090 372 F CA 1.235 59.240 58.000 0.009 0.000 1.293 372 F CB -0.349 38.670 39.000 0.032 0.000 1.013 372 F HN -0.148 nan 8.300 nan 0.000 0.486 373 S N -0.203 115.467 115.700 -0.051 0.000 2.423 373 S HA -0.214 4.256 4.470 0.000 0.000 0.231 373 S C 1.946 176.370 174.600 -0.293 0.000 1.014 373 S CA 1.565 59.663 58.200 -0.171 0.000 0.965 373 S CB -0.650 62.519 63.200 -0.051 0.000 0.785 373 S HN 0.564 nan 8.310 nan 0.000 0.495 374 N N 0.996 119.566 118.700 -0.217 0.000 2.080 374 N HA 0.066 4.807 4.740 0.000 0.000 0.189 374 N C 1.642 177.012 175.510 -0.234 0.000 1.036 374 N CA 1.518 54.434 53.050 -0.223 0.000 0.846 374 N CB -0.375 38.033 38.487 -0.132 0.000 1.015 374 N HN 0.386 nan 8.380 nan 0.000 0.423 375 L N 0.107 121.202 121.223 -0.214 0.000 2.191 375 L HA -0.125 4.215 4.340 0.000 0.000 0.212 375 L C 1.627 178.351 176.870 -0.243 0.000 1.103 375 L CA 0.457 55.179 54.840 -0.197 0.000 0.769 375 L CB -0.312 41.655 42.059 -0.154 0.000 0.908 375 L HN 0.289 nan 8.230 nan 0.000 0.438 376 I N -0.783 119.558 120.570 -0.381 0.000 2.400 376 I HA -0.174 3.996 4.170 0.000 0.000 0.248 376 I C 2.469 178.473 176.117 -0.189 0.000 1.109 376 I CA 1.117 62.250 61.300 -0.279 0.000 1.425 376 I CB -1.098 36.682 38.000 -0.367 0.000 1.094 376 I HN 0.332 nan 8.210 nan 0.000 0.425 377 Q N 0.821 120.360 119.800 -0.434 0.000 2.112 377 Q HA -0.202 4.138 4.340 0.000 0.000 0.206 377 Q C 2.390 178.241 176.000 -0.248 0.000 0.987 377 Q CA 2.261 57.666 55.803 -0.665 0.000 0.858 377 Q CB -0.173 27.943 28.738 -1.038 0.000 0.905 377 Q HN 0.548 nan 8.270 nan 0.000 0.420 378 A N 0.582 123.285 122.820 -0.195 0.000 1.897 378 A HA -0.205 4.115 4.320 0.000 0.000 0.215 378 A C 1.637 179.215 177.584 -0.009 0.000 1.181 378 A CA 1.738 53.721 52.037 -0.090 0.000 0.620 378 A CB -0.458 18.487 19.000 -0.091 0.000 0.821 378 A HN 0.382 nan 8.150 nan 0.000 0.443 379 D N -0.470 119.934 120.400 0.006 0.000 2.149 379 D HA -0.048 4.592 4.640 0.000 0.000 0.201 379 D C 1.841 178.222 176.300 0.136 0.000 0.972 379 D CA 0.922 54.974 54.000 0.086 0.000 0.835 379 D CB -0.086 40.795 40.800 0.134 0.000 0.966 379 D HN 0.408 nan 8.370 nan 0.000 0.476 380 L N -0.427 120.865 121.223 0.114 0.000 2.131 380 L HA 0.119 4.459 4.340 0.000 0.000 0.206 380 L C 2.602 179.659 176.870 0.312 0.000 1.087 380 L CA 1.009 55.940 54.840 0.152 0.000 0.767 380 L CB -0.676 41.422 42.059 0.064 0.000 0.917 380 L HN 0.149 nan 8.230 nan 0.000 0.441 381 G N -0.901 108.075 108.800 0.294 0.000 2.469 381 G HA2 -0.308 3.652 3.960 0.000 0.000 0.220 381 G HA3 -0.308 3.652 3.960 0.000 0.000 0.220 381 G C 1.543 176.513 174.900 0.116 0.000 1.136 381 G CA 0.527 45.771 45.100 0.240 0.000 0.759 381 G HN 0.334 nan 8.290 nan 0.000 0.562 382 Q N -0.387 119.467 119.800 0.090 0.000 2.096 382 Q HA 0.069 4.409 4.340 0.000 0.000 0.197 382 Q C 2.698 178.737 176.000 0.064 0.000 0.964 382 Q CA 0.423 56.261 55.803 0.058 0.000 0.838 382 Q CB -0.092 28.674 28.738 0.047 0.000 0.906 382 Q HN 0.554 nan 8.270 nan 0.000 0.444 383 I N 1.086 121.716 120.570 0.099 0.000 2.163 383 I HA -0.356 3.815 4.170 0.000 0.000 0.243 383 I C 2.602 178.755 176.117 0.060 0.000 1.085 383 I CA 1.479 62.841 61.300 0.104 0.000 1.347 383 I CB -0.341 37.745 38.000 0.144 0.000 1.044 383 I HN 0.213 nan 8.210 nan 0.000 0.408 384 K N 1.349 121.766 120.400 0.028 0.000 2.001 384 K HA -0.272 4.048 4.320 0.000 0.000 0.214 384 K C 2.196 178.734 176.600 -0.104 0.000 1.050 384 K CA 2.059 58.258 56.287 -0.147 0.000 0.934 384 K CB -0.276 31.975 32.500 -0.416 0.000 0.718 384 K HN 0.290 nan 8.250 nan 0.000 0.443 385 A N 0.944 123.729 122.820 -0.059 0.000 1.883 385 A HA -0.253 4.067 4.320 0.000 0.000 0.217 385 A C 2.123 179.685 177.584 -0.037 0.000 1.186 385 A CA 1.935 53.945 52.037 -0.045 0.000 0.624 385 A CB -0.771 18.215 19.000 -0.022 0.000 0.822 385 A HN 0.582 nan 8.150 nan 0.000 0.444 386 Q N -0.819 118.971 119.800 -0.017 0.000 2.096 386 Q HA -0.222 4.118 4.340 0.000 0.000 0.204 386 Q C 1.670 177.634 176.000 -0.060 0.000 0.982 386 Q CA 1.683 57.469 55.803 -0.029 0.000 0.850 386 Q CB -0.218 28.529 28.738 0.014 0.000 0.901 386 Q HN 0.616 nan 8.270 nan 0.000 0.422 387 D N 0.232 120.642 120.400 0.016 0.000 2.097 387 D HA -0.121 4.519 4.640 0.000 0.000 0.197 387 D C 1.397 177.726 176.300 0.049 0.000 0.984 387 D CA 0.989 55.056 54.000 0.111 0.000 0.826 387 D CB -0.205 40.692 40.800 0.161 0.000 0.973 387 D HN 0.130 nan 8.370 nan 0.000 0.460 388 D N 0.239 120.641 120.400 0.003 0.000 2.133 388 D HA -0.138 4.502 4.640 0.000 0.000 0.195 388 D C 1.909 178.216 176.300 0.012 0.000 0.997 388 D CA 1.463 55.473 54.000 0.016 0.000 0.840 388 D CB -0.348 40.426 40.800 -0.042 0.000 0.947 388 D HN 0.167 nan 8.370 nan 0.000 0.452 389 A N 0.517 123.304 122.820 -0.055 0.000 1.841 389 A HA -0.104 4.216 4.320 0.000 0.000 0.214 389 A C 2.395 179.888 177.584 -0.152 0.000 1.195 389 A CA 0.992 52.978 52.037 -0.084 0.000 0.611 389 A CB -0.916 18.031 19.000 -0.089 0.000 0.835 389 A HN 0.214 nan 8.150 nan 0.000 0.443 390 L N -1.982 119.058 121.223 -0.304 0.000 2.131 390 L HA -0.193 4.147 4.340 0.000 0.000 0.210 390 L C 2.582 179.186 176.870 -0.443 0.000 1.092 390 L CA 1.692 56.184 54.840 -0.581 0.000 0.759 390 L CB -0.569 40.729 42.059 -1.268 0.000 0.903 390 L HN 0.653 nan 8.230 nan 0.000 0.435 391 Y N 0.901 121.037 120.300 -0.273 0.000 2.242 391 Y HA -0.204 4.346 4.550 0.000 0.000 0.291 391 Y C 2.433 178.336 175.900 0.006 0.000 1.137 391 Y CA 1.504 59.624 58.100 0.033 0.000 1.181 391 Y CB -0.013 38.525 38.460 0.129 0.000 0.989 391 Y HN 0.207 nan 8.280 nan 0.000 0.527 392 N N -0.052 118.585 118.700 -0.105 0.000 2.409 392 N HA -0.097 4.643 4.740 0.000 0.000 0.179 392 N C 1.160 176.574 175.510 -0.160 0.000 1.032 392 N CA 1.318 54.274 53.050 -0.156 0.000 0.898 392 N CB 0.070 38.539 38.487 -0.030 0.000 0.971 392 N HN 0.609 nan 8.380 nan 0.000 0.441 393 Q N -0.476 119.235 119.800 -0.148 0.000 2.477 393 Q HA 0.147 4.487 4.340 0.000 0.000 0.252 393 Q C 0.355 176.293 176.000 -0.104 0.000 0.869 393 Q CA 0.012 55.746 55.803 -0.114 0.000 0.969 393 Q CB 0.791 29.469 28.738 -0.099 0.000 1.144 393 Q HN 0.157 nan 8.270 nan 0.000 0.577 394 Q N 2.243 121.975 119.800 -0.113 0.000 2.360 394 Q HA 0.268 4.608 4.340 0.000 0.000 0.254 394 Q C -2.474 173.521 176.000 -0.008 0.000 0.975 394 Q CA -2.278 53.495 55.803 -0.049 0.000 0.912 394 Q CB 0.944 29.658 28.738 -0.039 0.000 1.212 394 Q HN -0.082 nan 8.270 nan 0.000 0.452 395 P HA 0.086 nan 4.420 nan 0.000 0.268 395 P C 0.140 177.465 177.300 0.043 0.000 1.205 395 P CA 0.645 63.739 63.100 -0.011 0.000 0.771 395 P CB 0.778 32.466 31.700 -0.020 0.000 0.858 396 G N 1.297 110.131 108.800 0.056 0.000 2.160 396 G HA2 -0.302 3.658 3.960 0.000 0.000 0.251 396 G HA3 -0.302 3.658 3.960 0.000 0.000 0.251 396 G C -0.156 174.791 174.900 0.079 0.000 1.008 396 G CA -0.287 44.856 45.100 0.071 0.000 0.724 396 G HN 0.563 nan 8.290 nan 0.000 0.514 397 Y N 1.067 121.373 120.300 0.010 0.000 2.442 397 Y HA 0.467 5.017 4.550 0.000 0.000 0.330 397 Y C 0.548 176.481 175.900 0.053 0.000 1.129 397 Y CA -0.393 57.728 58.100 0.035 0.000 1.365 397 Y CB 0.720 39.216 38.460 0.061 0.000 1.233 397 Y HN 0.630 nan 8.280 nan 0.000 0.529 398 A N 8.112 130.486 122.820 -0.745 0.000 2.260 398 A HA 0.455 4.775 4.320 0.000 0.000 0.312 398 A C -0.044 177.107 177.584 -0.722 0.000 1.321 398 A CA -0.819 50.881 52.037 -0.563 0.000 0.928 398 A CB 0.071 18.837 19.000 -0.389 0.000 1.158 398 A HN 0.907 nan 8.150 nan 0.000 0.542 399 R N 1.328 121.667 120.500 -0.268 0.000 2.643 399 R HA 0.163 4.503 4.340 0.000 0.000 0.270 399 R C 0.582 176.889 176.300 0.012 0.000 1.061 399 R CA 0.054 56.140 56.100 -0.023 0.000 1.107 399 R CB 0.739 31.119 30.300 0.133 0.000 0.999 399 R HN 0.777 nan 8.270 nan 0.000 0.460 400 R N 1.604 122.134 120.500 0.051 0.000 2.265 400 R HA 0.193 4.533 4.340 0.000 0.000 0.194 400 R C 0.428 176.789 176.300 0.103 0.000 0.931 400 R CA 0.511 56.650 56.100 0.065 0.000 1.032 400 R CB 0.150 30.495 30.300 0.074 0.000 0.980 400 R HN 0.548 nan 8.270 nan 0.000 0.497 401 I N -3.897 116.703 120.570 0.050 0.000 3.004 401 I HA 0.348 4.518 4.170 0.000 0.000 0.305 401 I C -1.066 174.777 176.117 -0.457 0.000 1.312 401 I CA -1.459 59.798 61.300 -0.070 0.000 0.992 401 I CB 1.930 39.872 38.000 -0.097 0.000 1.282 401 I HN -0.301 nan 8.210 nan 0.000 0.449 402 K N 2.748 122.715 120.400 -0.723 0.000 2.485 402 K HA 0.268 4.588 4.320 0.000 0.000 0.277 402 K C -2.299 174.046 176.600 -0.424 0.000 0.990 402 K CA -0.913 54.696 56.287 -1.130 0.000 0.994 402 K CB 0.338 32.633 32.500 -0.343 0.000 0.906 402 K HN 0.401 nan 8.250 nan 0.000 0.488 403 P HA 0.048 nan 4.420 nan 0.000 0.268 403 P C -1.036 176.237 177.300 -0.044 0.000 1.205 403 P CA 0.108 63.082 63.100 -0.209 0.000 0.771 403 P CB 0.264 31.852 31.700 -0.186 0.000 0.858 404 F N 0.823 120.698 119.950 -0.125 0.000 2.675 404 F HA 0.770 5.297 4.527 0.000 0.000 0.324 404 F C -0.983 174.765 175.800 -0.087 0.000 1.106 404 F CA -1.586 56.345 58.000 -0.115 0.000 0.970 404 F CB 0.661 39.563 39.000 -0.164 0.000 1.385 404 F HN 0.210 nan 8.300 nan 0.000 0.489 405 V N -0.550 119.453 119.914 0.149 0.000 2.815 405 V HA 0.491 4.611 4.120 0.000 0.000 0.314 405 V C 0.235 176.461 176.094 0.220 0.000 1.064 405 V CA -0.800 61.542 62.300 0.070 0.000 0.952 405 V CB 1.553 33.396 31.823 0.034 0.000 1.020 405 V HN 0.895 nan 8.190 nan 0.000 0.439 406 N N 2.890 121.701 118.700 0.185 0.000 2.289 406 N HA -0.079 4.661 4.740 0.000 0.000 0.184 406 N C 1.750 177.418 175.510 0.264 0.000 1.016 406 N CA 1.732 54.968 53.050 0.309 0.000 0.872 406 N CB -0.207 38.416 38.487 0.226 0.000 0.973 406 N HN 1.013 nan 8.380 nan 0.000 0.433 407 G N 0.388 109.273 108.800 0.141 0.000 2.559 407 G HA2 -0.166 3.794 3.960 0.000 0.000 0.216 407 G HA3 -0.166 3.794 3.960 0.000 0.000 0.216 407 G C 1.023 175.958 174.900 0.057 0.000 1.126 407 G CA 0.282 45.442 45.100 0.100 0.000 0.778 407 G HN 0.202 nan 8.290 nan 0.000 0.543 408 D N -0.100 120.288 120.400 -0.020 0.000 2.312 408 D HA -0.040 4.600 4.640 0.000 0.000 0.211 408 D C 1.563 177.743 176.300 -0.201 0.000 0.964 408 D CA 0.314 54.215 54.000 -0.165 0.000 0.877 408 D CB -0.161 40.456 40.800 -0.305 0.000 0.924 408 D HN 0.646 nan 8.370 nan 0.000 0.515 409 W N 1.452 122.739 121.300 -0.021 0.000 2.800 409 W HA -0.010 4.650 4.660 0.000 0.000 0.249 409 W C 1.173 177.672 176.519 -0.032 0.000 1.294 409 W CA 0.079 57.398 57.345 -0.044 0.000 1.402 409 W CB -0.253 29.185 29.460 -0.036 0.000 1.126 409 W HN -0.168 nan 8.180 nan 0.000 0.652 410 T N -2.201 112.454 114.554 0.169 0.000 2.813 410 T HA 0.090 4.440 4.350 0.000 0.000 0.297 410 T C -1.514 173.222 174.700 0.060 0.000 1.036 410 T CA -1.382 60.777 62.100 0.099 0.000 1.044 410 T CB 1.160 70.067 68.868 0.065 0.000 0.993 410 T HN -0.282 nan 8.240 nan 0.000 0.535 411 P HA -0.010 nan 4.420 nan 0.000 0.216 411 P C 1.404 178.708 177.300 0.007 0.000 1.150 411 P CA 1.886 64.997 63.100 0.018 0.000 0.843 411 P CB -0.724 30.983 31.700 0.012 0.000 0.787 412 G N -0.228 108.578 108.800 0.009 0.000 2.614 412 G HA2 -0.352 3.608 3.960 0.000 0.000 0.303 412 G HA3 -0.352 3.608 3.960 0.000 0.000 0.303 412 G C 0.590 175.494 174.900 0.006 0.000 1.270 412 G CA 0.700 45.803 45.100 0.004 0.000 0.988 412 G HN 0.251 nan 8.290 nan 0.000 0.551 413 M N 1.599 121.204 119.600 0.008 0.000 2.631 413 M HA 0.144 4.625 4.480 0.000 0.000 0.241 413 M C 2.195 178.512 176.300 0.029 0.000 1.255 413 M CA 0.772 56.085 55.300 0.022 0.000 0.983 413 M CB -0.178 32.441 32.600 0.031 0.000 1.580 413 M HN 0.524 nan 8.290 nan 0.000 0.464 414 T N 1.389 115.950 114.554 0.011 0.000 2.653 414 T HA -0.253 4.097 4.350 0.000 0.000 0.268 414 T C 2.044 176.739 174.700 -0.008 0.000 1.035 414 T CA 2.085 64.185 62.100 0.001 0.000 1.154 414 T CB -0.138 68.722 68.868 -0.013 0.000 0.862 414 T HN 0.642 nan 8.240 nan 0.000 0.441 415 A N 1.065 123.879 122.820 -0.010 0.000 1.940 415 A HA -0.197 4.123 4.320 0.000 0.000 0.219 415 A C 2.296 179.870 177.584 -0.018 0.000 1.176 415 A CA 1.826 53.852 52.037 -0.020 0.000 0.631 415 A CB -0.692 18.299 19.000 -0.014 0.000 0.814 415 A HN 0.496 nan 8.150 nan 0.000 0.446 416 Q N -0.328 119.478 119.800 0.010 0.000 2.084 416 Q HA -0.002 4.338 4.340 0.000 0.000 0.202 416 Q C 2.327 178.319 176.000 -0.014 0.000 0.978 416 Q CA 1.832 57.652 55.803 0.028 0.000 0.844 416 Q CB -0.521 28.272 28.738 0.091 0.000 0.898 416 Q HN 0.667 nan 8.270 nan 0.000 0.426 417 A N 0.246 123.068 122.820 0.004 0.000 1.930 417 A HA -0.112 4.208 4.320 0.000 0.000 0.217 417 A C 2.014 179.491 177.584 -0.179 0.000 1.175 417 A CA 1.009 52.989 52.037 -0.094 0.000 0.627 417 A CB -0.619 18.398 19.000 0.029 0.000 0.815 417 A HN 0.331 nan 8.150 nan 0.000 0.443 418 L N -0.867 120.286 121.223 -0.117 0.000 2.141 418 L HA -0.174 4.166 4.340 0.000 0.000 0.209 418 L C 3.035 179.814 176.870 -0.151 0.000 1.094 418 L CA 0.963 55.722 54.840 -0.135 0.000 0.763 418 L CB -0.490 41.510 42.059 -0.098 0.000 0.908 418 L HN 0.449 nan 8.230 nan 0.000 0.437 419 A N -0.418 122.327 122.820 -0.124 0.000 1.897 419 A HA -0.099 4.222 4.320 0.000 0.000 0.215 419 A C 2.325 179.825 177.584 -0.138 0.000 1.181 419 A CA 1.327 53.302 52.037 -0.104 0.000 0.620 419 A CB -0.640 18.322 19.000 -0.063 0.000 0.821 419 A HN 0.157 nan 8.150 nan 0.000 0.443 420 V N 0.238 120.027 119.914 -0.209 0.000 2.261 420 V HA -0.252 3.868 4.120 0.000 0.000 0.246 420 V C 2.547 178.397 176.094 -0.407 0.000 1.047 420 V CA 1.973 64.113 62.300 -0.266 0.000 1.015 420 V CB -0.793 30.748 31.823 -0.471 0.000 0.642 420 V HN 0.568 nan 8.190 nan 0.000 0.446 421 L N 0.128 120.999 121.223 -0.586 0.000 2.191 421 L HA -0.156 4.184 4.340 0.000 0.000 0.212 421 L C 2.604 179.223 176.870 -0.419 0.000 1.103 421 L CA 1.359 55.716 54.840 -0.805 0.000 0.769 421 L CB -0.693 41.020 42.059 -0.577 0.000 0.908 421 L HN 0.379 nan 8.230 nan 0.000 0.438 422 A N -0.172 122.505 122.820 -0.239 0.000 2.067 422 A HA -0.161 4.159 4.320 0.000 0.000 0.219 422 A C 2.290 179.825 177.584 -0.081 0.000 1.158 422 A CA 1.755 53.714 52.037 -0.131 0.000 0.661 422 A CB -0.749 18.191 19.000 -0.099 0.000 0.801 422 A HN 0.506 nan 8.150 nan 0.000 0.452 423 T N -4.273 110.247 114.554 -0.057 0.000 3.160 423 T HA 0.067 4.417 4.350 0.000 0.000 0.257 423 T C 0.985 175.565 174.700 -0.200 0.000 1.147 423 T CA 0.402 62.481 62.100 -0.036 0.000 1.064 423 T CB -0.529 68.360 68.868 0.036 0.000 0.949 423 T HN 0.179 nan 8.240 nan 0.000 0.526 424 F N 1.505 121.152 119.950 -0.505 0.000 2.780 424 F HA 0.310 4.837 4.527 0.000 0.000 0.299 424 F C 2.240 177.779 175.800 -0.436 0.000 1.146 424 F CA -0.248 57.320 58.000 -0.719 0.000 1.428 424 F CB -0.371 38.425 39.000 -0.340 0.000 1.115 424 F HN 0.194 nan 8.300 nan 0.000 0.583 425 T N -0.553 113.936 114.554 -0.108 0.000 3.086 425 T HA 0.473 4.823 4.350 0.000 0.000 0.250 425 T C 0.748 175.442 174.700 -0.010 0.000 1.074 425 T CA 0.358 62.436 62.100 -0.036 0.000 0.988 425 T CB -0.184 68.671 68.868 -0.022 0.000 0.988 425 T HN 0.109 nan 8.240 nan 0.000 0.530 426 A N 0.000 122.812 122.820 -0.014 0.000 2.254 426 A HA 0.000 4.320 4.320 0.000 0.000 0.244 426 A CA 0.000 52.082 52.037 0.075 0.000 0.836 426 A CB 0.000 19.028 19.000 0.046 0.000 0.831 426 A HN 0.000 nan 8.150 nan 0.000 0.486