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 2ps2_1_D DATA FIRST_RESID 3 DATA SEQUENCE DLKIARIDVF QVDLPYSGGV YYLXXXXXXX SFDATIVRIT TDTGIEGWGE DATA SEQUENCE STPFGSNYIA SHPRGVRAGI ATMAPSLIGL DPRRVDRIND AMDDALLGHE DATA SEQUENCE DAKTAIDVAC WDIFGKSVGL PVCELLGGRT NTRLPLISSI YVGEPEDMRA DATA SEQUENCE RVAKYRAKGY KGQSVKISGE PVTDAKRITA ALANQQPDEF FIVDANGKLS DATA SEQUENCE VETALRLLRL LPHGLDFALE APCATWRECI SLRRKTDIPI IYDELATNEM DATA SEQUENCE SIVKILADDA AEGIDLKISK AGGLTRGRRQ RDICLAAGYS VSVQETCGSD DATA SEQUENCE IAFAAIVHLA QTIPERSLRC ILECRDMVTV KTADGAFDIQ DGFATAPTTP DATA SEQUENCE GLGIMPRLDV LGEAVASY 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.288 176.300 -0.021 0.000 2.045 3 D CA 0.000 53.988 54.000 -0.020 0.000 0.868 3 D CB 0.000 40.789 40.800 -0.018 0.000 0.688 4 L N 2.598 123.802 121.223 -0.032 0.000 2.431 4 L HA 0.708 5.048 4.340 0.000 0.000 0.266 4 L C -1.417 175.428 176.870 -0.043 0.000 0.978 4 L CA -0.202 54.619 54.840 -0.032 0.000 0.822 4 L CB 1.850 43.889 42.059 -0.033 0.000 1.310 4 L HN 0.452 nan 8.230 nan 0.000 0.409 5 K N 4.711 125.090 120.400 -0.036 0.000 2.502 5 K HA 0.568 4.888 4.320 0.000 0.000 0.257 5 K C -1.250 175.328 176.600 -0.037 0.000 0.938 5 K CA -0.741 55.522 56.287 -0.040 0.000 0.819 5 K CB 2.499 34.980 32.500 -0.032 0.000 1.333 5 K HN 0.472 nan 8.250 nan 0.000 0.434 6 I N 2.348 122.893 120.570 -0.042 0.000 2.452 6 I HA 0.012 4.182 4.170 0.000 0.000 0.287 6 I C 0.896 176.996 176.117 -0.028 0.000 1.079 6 I CA 0.271 61.548 61.300 -0.038 0.000 1.387 6 I CB 1.222 39.196 38.000 -0.043 0.000 1.404 6 I HN 0.867 nan 8.210 nan 0.000 0.522 7 A N 7.124 129.929 122.820 -0.024 0.000 1.993 7 A HA 0.226 4.547 4.320 0.000 0.000 0.207 7 A C 1.055 178.632 177.584 -0.013 0.000 1.224 7 A CA 0.396 52.422 52.037 -0.017 0.000 0.749 7 A CB 0.391 19.382 19.000 -0.015 0.000 0.884 7 A HN 0.709 nan 8.150 nan 0.000 0.467 8 R N -0.664 119.824 120.500 -0.019 0.000 2.668 8 R HA 0.661 5.001 4.340 0.000 0.000 0.272 8 R C -2.240 174.047 176.300 -0.022 0.000 1.019 8 R CA -0.566 55.525 56.100 -0.016 0.000 0.894 8 R CB 1.331 31.614 30.300 -0.029 0.000 1.228 8 R HN 0.226 nan 8.270 nan 0.000 0.460 9 I N 3.510 124.090 120.570 0.016 0.000 2.439 9 I HA 0.292 4.462 4.170 0.000 0.000 0.283 9 I C -1.034 175.096 176.117 0.022 0.000 1.023 9 I CA -0.725 60.592 61.300 0.029 0.000 1.100 9 I CB 1.974 40.028 38.000 0.090 0.000 1.238 9 I HN 0.408 nan 8.210 nan 0.000 0.445 10 D N 6.248 126.585 120.400 -0.105 0.000 2.256 10 D HA 0.443 5.083 4.640 0.000 0.000 0.246 10 D C -0.552 175.540 176.300 -0.346 0.000 1.042 10 D CA -0.287 53.550 54.000 -0.272 0.000 0.841 10 D CB 3.305 43.893 40.800 -0.354 0.000 1.223 10 D HN 0.048 nan 8.370 nan 0.000 0.470 11 V N 2.671 122.346 119.914 -0.398 0.000 2.435 11 V HA 0.459 4.579 4.120 0.000 0.000 0.290 11 V C -0.463 175.352 176.094 -0.465 0.000 1.030 11 V CA -0.632 61.513 62.300 -0.258 0.000 0.881 11 V CB 0.893 32.694 31.823 -0.037 0.000 0.983 11 V HN 0.343 nan 8.190 nan 0.000 0.445 12 F N 2.286 122.302 119.950 0.110 0.000 2.538 12 F HA 0.645 5.172 4.527 0.000 0.000 0.325 12 F C 0.113 175.973 175.800 0.100 0.000 1.066 12 F CA -0.623 57.447 58.000 0.116 0.000 0.946 12 F CB 1.802 40.910 39.000 0.180 0.000 1.199 12 F HN 0.311 nan 8.300 nan 0.000 0.473 13 Q N 2.151 122.114 119.800 0.271 0.000 2.340 13 Q HA 0.688 5.028 4.340 0.000 0.000 0.268 13 Q C -1.945 174.149 176.000 0.157 0.000 1.031 13 Q CA -0.618 55.288 55.803 0.172 0.000 0.804 13 Q CB 2.309 31.113 28.738 0.111 0.000 1.286 13 Q HN 0.598 nan 8.270 nan 0.000 0.448 14 V N 3.419 123.411 119.914 0.129 0.000 2.686 14 V HA 0.298 4.418 4.120 0.000 0.000 0.306 14 V C -0.868 175.278 176.094 0.087 0.000 1.065 14 V CA -0.984 61.375 62.300 0.099 0.000 0.894 14 V CB 2.195 34.071 31.823 0.088 0.000 1.004 14 V HN 0.705 nan 8.190 nan 0.000 0.424 15 D N 4.617 125.057 120.400 0.067 0.000 2.317 15 D HA 0.401 5.041 4.640 0.000 0.000 0.252 15 D C -0.372 175.970 176.300 0.070 0.000 1.174 15 D CA 0.123 54.158 54.000 0.059 0.000 0.866 15 D CB 1.788 42.606 40.800 0.030 0.000 1.127 15 D HN 0.348 nan 8.370 nan 0.000 0.467 16 L N 4.828 126.118 121.223 0.110 0.000 2.283 16 L HA 0.295 4.635 4.340 0.000 0.000 0.281 16 L C -2.288 174.676 176.870 0.156 0.000 1.033 16 L CA -1.921 53.006 54.840 0.146 0.000 0.848 16 L CB 1.218 43.404 42.059 0.210 0.000 1.226 16 L HN -0.042 nan 8.230 nan 0.000 0.429 17 P HA -0.110 nan 4.420 nan 0.000 0.263 17 P C -0.709 176.684 177.300 0.154 0.000 1.195 17 P CA -0.025 63.116 63.100 0.068 0.000 0.762 17 P CB 0.148 31.868 31.700 0.033 0.000 0.799 18 Y N 3.654 123.948 120.300 -0.009 0.000 2.632 18 Y HA -0.022 4.528 4.550 0.000 0.000 0.329 18 Y C 1.570 177.525 175.900 0.093 0.000 1.174 18 Y CA -0.079 58.082 58.100 0.102 0.000 1.469 18 Y CB 0.296 38.749 38.460 -0.012 0.000 1.242 18 Y HN 0.455 nan 8.280 nan 0.000 0.540 19 S N 2.259 117.780 115.700 -0.297 0.000 2.469 19 S HA -0.086 4.384 4.470 0.000 0.000 0.238 19 S C 1.685 175.929 174.600 -0.594 0.000 0.998 19 S CA 0.808 58.803 58.200 -0.342 0.000 0.957 19 S CB -0.498 62.608 63.200 -0.158 0.000 0.764 19 S HN 0.886 nan 8.310 nan 0.000 0.514 20 G N -0.387 107.541 108.800 -1.454 0.000 3.088 20 G HA2 0.500 4.460 3.960 0.000 0.000 0.217 20 G HA3 0.500 4.460 3.960 0.000 0.000 0.217 20 G C 0.964 175.655 174.900 -0.349 0.000 1.159 20 G CA 0.046 44.618 45.100 -0.879 0.000 0.760 20 G HN 1.077 nan 8.290 nan 0.000 0.550 21 G N -0.819 107.820 108.800 -0.267 0.000 5.005 21 G HA2 -0.239 3.721 3.960 0.000 0.000 0.251 21 G HA3 -0.239 3.721 3.960 0.000 0.000 0.251 21 G C -0.038 174.962 174.900 0.167 0.000 1.536 21 G CA 0.180 45.281 45.100 0.001 0.000 1.060 21 G HN 0.945 nan 8.290 nan 0.000 0.683 22 V N 0.738 120.771 119.914 0.199 0.000 2.577 22 V HA 0.599 4.719 4.120 0.000 0.000 0.303 22 V C -0.936 175.019 176.094 -0.232 0.000 1.042 22 V CA -0.728 61.521 62.300 -0.085 0.000 0.872 22 V CB 1.864 33.465 31.823 -0.371 0.000 0.998 22 V HN 0.660 nan 8.190 nan 0.000 0.423 23 Y N 4.505 124.432 120.300 -0.622 0.000 2.341 23 Y HA 0.540 5.090 4.550 0.000 0.000 0.340 23 Y C -0.780 174.752 175.900 -0.613 0.000 0.997 23 Y CA -0.394 57.288 58.100 -0.696 0.000 1.149 23 Y CB 0.921 38.848 38.460 -0.889 0.000 1.171 23 Y HN 0.608 nan 8.280 nan 0.000 0.494 24 Y N 7.263 127.366 120.300 -0.328 0.000 2.518 24 Y HA 0.408 4.958 4.550 0.000 0.000 0.344 24 Y C -0.320 175.528 175.900 -0.087 0.000 0.982 24 Y CA -0.650 57.354 58.100 -0.160 0.000 1.234 24 Y CB 0.032 38.394 38.460 -0.162 0.000 1.114 24 Y HN 0.641 nan 8.280 nan 0.000 0.515 34 F N 1.509 121.448 119.950 -0.018 0.000 2.458 34 F HA 0.495 5.022 4.527 0.000 0.000 0.336 34 F C 0.384 176.181 175.800 -0.005 0.000 1.114 34 F CA -0.656 57.321 58.000 -0.039 0.000 0.987 34 F CB 1.380 40.371 39.000 -0.015 0.000 1.130 34 F HN 0.700 nan 8.300 nan 0.000 0.458 35 D N 2.977 123.474 120.400 0.162 0.000 2.374 35 D HA 0.374 5.014 4.640 0.000 0.000 0.240 35 D C -0.515 175.861 176.300 0.127 0.000 1.229 35 D CA 0.142 54.208 54.000 0.110 0.000 0.895 35 D CB 0.753 41.596 40.800 0.071 0.000 1.046 35 D HN 0.600 nan 8.370 nan 0.000 0.498 36 A N 3.288 126.185 122.820 0.128 0.000 2.310 36 A HA 0.578 4.898 4.320 0.000 0.000 0.299 36 A C 0.105 177.765 177.584 0.126 0.000 1.147 36 A CA -0.504 51.607 52.037 0.124 0.000 0.818 36 A CB 0.961 20.034 19.000 0.123 0.000 1.096 36 A HN 0.458 nan 8.150 nan 0.000 0.495 37 T N 2.760 117.390 114.554 0.127 0.000 2.786 37 T HA 0.550 4.900 4.350 0.000 0.000 0.283 37 T C -0.448 174.361 174.700 0.181 0.000 0.992 37 T CA 0.148 62.333 62.100 0.141 0.000 0.954 37 T CB 0.200 69.130 68.868 0.104 0.000 0.934 37 T HN 0.444 nan 8.240 nan 0.000 0.440 38 I N 3.117 123.843 120.570 0.260 0.000 2.433 38 I HA 0.544 4.714 4.170 0.000 0.000 0.292 38 I C -0.561 175.809 176.117 0.421 0.000 1.001 38 I CA -1.069 60.438 61.300 0.346 0.000 1.119 38 I CB 2.055 40.285 38.000 0.383 0.000 1.289 38 I HN 0.247 nan 8.210 nan 0.000 0.438 39 V N 6.348 126.465 119.914 0.339 0.000 2.555 39 V HA 0.518 4.638 4.120 0.000 0.000 0.302 39 V C -0.202 175.922 176.094 0.049 0.000 1.038 39 V CA -0.700 61.719 62.300 0.198 0.000 0.887 39 V CB 2.100 33.984 31.823 0.101 0.000 0.991 39 V HN 0.676 nan 8.190 nan 0.000 0.434 40 R N 4.544 124.927 120.500 -0.195 0.000 2.480 40 R HA 0.680 5.020 4.340 0.000 0.000 0.306 40 R C -1.545 174.530 176.300 -0.375 0.000 0.958 40 R CA -0.562 55.098 56.100 -0.733 0.000 0.861 40 R CB 1.322 30.887 30.300 -1.225 0.000 1.171 40 R HN 0.712 nan 8.270 nan 0.000 0.445 41 I N 3.330 123.702 120.570 -0.329 0.000 2.404 41 I HA 0.296 4.466 4.170 0.000 0.000 0.293 41 I C -0.379 175.643 176.117 -0.157 0.000 0.992 41 I CA -0.734 60.465 61.300 -0.169 0.000 1.149 41 I CB 2.382 40.324 38.000 -0.097 0.000 1.315 41 I HN 0.568 nan 8.210 nan 0.000 0.446 42 T N 3.366 117.859 114.554 -0.101 0.000 2.792 42 T HA 0.351 4.701 4.350 0.000 0.000 0.280 42 T C 0.200 174.877 174.700 -0.038 0.000 0.990 42 T CA -0.646 61.415 62.100 -0.064 0.000 0.960 42 T CB 1.523 70.362 68.868 -0.048 0.000 0.939 42 T HN 0.731 nan 8.240 nan 0.000 0.439 43 T N -0.429 114.110 114.554 -0.025 0.000 2.816 43 T HA 0.195 4.545 4.350 0.000 0.000 0.282 43 T C 1.232 175.925 174.700 -0.012 0.000 0.993 43 T CA -0.617 61.472 62.100 -0.019 0.000 0.994 43 T CB 0.617 69.478 68.868 -0.012 0.000 1.025 43 T HN 0.588 nan 8.240 nan 0.000 0.529 44 D N -0.079 120.314 120.400 -0.013 0.000 2.310 44 D HA -0.124 4.516 4.640 0.000 0.000 0.212 44 D C 1.728 178.026 176.300 -0.003 0.000 0.965 44 D CA 1.458 55.453 54.000 -0.009 0.000 0.879 44 D CB -0.940 39.853 40.800 -0.011 0.000 0.921 44 D HN 0.740 nan 8.370 nan 0.000 0.510 45 T N -4.740 109.813 114.554 -0.000 0.000 3.086 45 T HA 0.444 4.794 4.350 0.000 0.000 0.250 45 T C 1.655 176.362 174.700 0.012 0.000 1.074 45 T CA 0.335 62.439 62.100 0.006 0.000 0.988 45 T CB 0.262 69.134 68.868 0.007 0.000 0.988 45 T HN 0.363 nan 8.240 nan 0.000 0.530 46 G N 1.459 110.266 108.800 0.011 0.000 2.176 46 G HA2 -0.178 3.782 3.960 0.000 0.000 0.232 46 G HA3 -0.178 3.782 3.960 0.000 0.000 0.232 46 G C 0.010 174.925 174.900 0.026 0.000 0.986 46 G CA -0.187 44.924 45.100 0.019 0.000 0.643 46 G HN 0.640 nan 8.290 nan 0.000 0.522 47 I N 1.470 122.054 120.570 0.024 0.000 2.588 47 I HA 0.326 4.496 4.170 0.000 0.000 0.283 47 I C 0.479 176.609 176.117 0.022 0.000 1.119 47 I CA 0.158 61.479 61.300 0.035 0.000 1.419 47 I CB 0.717 38.739 38.000 0.037 0.000 1.394 47 I HN 0.150 nan 8.210 nan 0.000 0.562 48 E N 4.136 124.363 120.200 0.045 0.000 2.199 48 E HA 0.629 4.979 4.350 0.000 0.000 0.269 48 E C -0.291 176.317 176.600 0.014 0.000 0.899 48 E CA -0.705 55.690 56.400 -0.008 0.000 0.772 48 E CB 2.274 32.002 29.700 0.047 0.000 1.155 48 E HN 0.773 nan 8.360 nan 0.000 0.408 49 G N 1.933 110.657 108.800 -0.128 0.000 2.571 49 G HA2 0.549 4.509 3.960 0.000 0.000 0.304 49 G HA3 0.549 4.509 3.960 0.000 0.000 0.304 49 G C -1.779 173.011 174.900 -0.184 0.000 1.314 49 G CA -0.622 44.474 45.100 -0.006 0.000 0.975 49 G HN 0.359 nan 8.290 nan 0.000 0.485 50 W N -0.108 121.255 121.300 0.105 0.000 2.781 50 W HA 0.747 5.407 4.660 0.000 0.000 0.345 50 W C 0.305 176.888 176.519 0.108 0.000 1.085 50 W CA -0.496 56.914 57.345 0.108 0.000 1.198 50 W CB 2.930 32.443 29.460 0.087 0.000 1.423 50 W HN 0.854 nan 8.180 nan 0.000 0.532 51 G N 0.712 109.719 108.800 0.345 0.000 2.704 51 G HA2 0.572 4.532 3.960 0.000 0.000 0.293 51 G HA3 0.572 4.532 3.960 0.000 0.000 0.293 51 G C -2.148 172.887 174.900 0.224 0.000 1.421 51 G CA -0.704 44.538 45.100 0.237 0.000 0.870 51 G HN 0.403 nan 8.290 nan 0.000 0.492 52 E N -0.661 119.640 120.200 0.167 0.000 2.367 52 E HA 0.678 5.028 4.350 0.000 0.000 0.273 52 E C -1.518 175.151 176.600 0.115 0.000 0.903 52 E CA -0.818 55.670 56.400 0.148 0.000 0.764 52 E CB 2.281 32.058 29.700 0.128 0.000 1.252 52 E HN 0.440 nan 8.360 nan 0.000 0.446 53 S N 1.873 117.639 115.700 0.110 0.000 2.750 53 S HA 0.373 4.843 4.470 0.000 0.000 0.276 53 S C -1.616 173.040 174.600 0.093 0.000 1.165 53 S CA -0.446 57.811 58.200 0.094 0.000 1.047 53 S CB 1.249 64.502 63.200 0.088 0.000 1.056 53 S HN 0.414 nan 8.310 nan 0.000 0.481 54 T N 6.720 121.325 114.554 0.086 0.000 2.991 54 T HA 0.424 4.774 4.350 0.000 0.000 0.347 54 T C -2.865 171.888 174.700 0.088 0.000 1.122 54 T CA -1.028 61.123 62.100 0.086 0.000 1.062 54 T CB 1.351 70.261 68.868 0.070 0.000 1.043 54 T HN 0.314 nan 8.240 nan 0.000 0.491 55 P HA 0.121 nan 4.420 nan 0.000 0.269 55 P C -0.417 176.972 177.300 0.148 0.000 1.209 55 P CA -0.501 62.694 63.100 0.159 0.000 0.776 55 P CB 0.366 32.161 31.700 0.159 0.000 0.876 56 F N 3.650 123.595 119.950 -0.008 0.000 2.640 56 F HA 0.416 4.943 4.527 0.000 0.000 0.354 56 F C 1.128 176.870 175.800 -0.096 0.000 1.213 56 F CA 0.646 58.533 58.000 -0.189 0.000 1.314 56 F CB -1.127 37.602 39.000 -0.452 0.000 1.679 56 F HN 0.600 nan 8.300 nan 0.000 0.622 57 G N 2.238 110.953 108.800 -0.141 0.000 2.562 57 G HA2 -0.220 3.740 3.960 0.000 0.000 0.250 57 G HA3 -0.220 3.740 3.960 0.000 0.000 0.250 57 G C 0.104 175.011 174.900 0.012 0.000 1.269 57 G CA -0.055 44.958 45.100 -0.145 0.000 0.919 57 G HN 1.299 nan 8.290 nan 0.000 0.574 58 S N 0.446 116.150 115.700 0.007 0.000 2.617 58 S HA 0.400 4.870 4.470 0.000 0.000 0.237 58 S C 0.791 175.433 174.600 0.070 0.000 1.142 58 S CA 0.516 58.761 58.200 0.076 0.000 1.167 58 S CB -0.054 63.168 63.200 0.037 0.000 1.068 58 S HN 1.123 nan 8.310 nan 0.000 0.470 59 N N 2.543 121.302 118.700 0.098 0.000 2.531 59 N HA -0.039 4.701 4.740 0.000 0.000 0.223 59 N C 1.869 177.534 175.510 0.259 0.000 1.023 59 N CA 0.740 53.864 53.050 0.122 0.000 1.124 59 N CB -1.088 37.433 38.487 0.057 0.000 1.427 59 N HN 0.651 nan 8.380 nan 0.000 0.558 60 Y N 1.503 121.870 120.300 0.112 0.000 2.403 60 Y HA 0.247 4.797 4.550 0.000 0.000 0.291 60 Y C 0.983 176.918 175.900 0.057 0.000 1.143 60 Y CA -0.486 57.664 58.100 0.083 0.000 1.257 60 Y CB -0.195 38.319 38.460 0.089 0.000 0.984 60 Y HN 0.098 nan 8.280 nan 0.000 0.550 61 I N -1.721 119.039 120.570 0.316 0.000 2.865 61 I HA 0.772 4.942 4.170 0.000 0.000 0.302 61 I C -0.440 175.743 176.117 0.109 0.000 1.140 61 I CA -1.532 59.791 61.300 0.038 0.000 1.021 61 I CB 2.080 39.969 38.000 -0.185 0.000 1.233 61 I HN -0.163 nan 8.210 nan 0.000 0.427 62 A N 3.334 126.183 122.820 0.049 0.000 2.993 62 A HA 0.495 4.815 4.320 0.000 0.000 0.281 62 A C 0.230 177.866 177.584 0.087 0.000 1.847 62 A CA 0.453 52.520 52.037 0.049 0.000 1.470 62 A CB -1.147 17.856 19.000 0.005 0.000 1.028 62 A HN 0.770 nan 8.150 nan 0.000 0.604 63 S N 1.680 117.477 115.700 0.162 0.000 2.535 63 S HA 0.669 5.139 4.470 0.000 0.000 0.272 63 S C -1.269 173.525 174.600 0.323 0.000 1.149 63 S CA -0.702 57.636 58.200 0.230 0.000 0.888 63 S CB 0.951 64.252 63.200 0.169 0.000 1.110 63 S HN 1.129 nan 8.310 nan 0.000 0.463 64 H N 2.268 121.389 119.070 0.084 0.000 3.079 64 H HA 0.457 5.013 4.556 0.000 0.000 0.356 64 H C -2.885 172.488 175.328 0.074 0.000 1.221 64 H CA -1.334 54.757 56.048 0.072 0.000 1.185 64 H CB 0.554 30.349 29.762 0.054 0.000 1.882 64 H HN 0.390 nan 8.280 nan 0.000 0.543 65 P HA -0.244 nan 4.420 nan 0.000 0.217 65 P C 1.234 178.452 177.300 -0.137 0.000 1.162 65 P CA 1.598 64.681 63.100 -0.028 0.000 0.901 65 P CB 0.315 32.037 31.700 0.037 0.000 0.793 66 R N -0.642 119.740 120.500 -0.196 0.000 2.120 66 R HA -0.051 4.289 4.340 0.000 0.000 0.234 66 R C 2.761 178.858 176.300 -0.338 0.000 1.123 66 R CA 1.556 57.545 56.100 -0.185 0.000 0.975 66 R CB -1.201 29.081 30.300 -0.029 0.000 0.866 66 R HN 0.304 nan 8.270 nan 0.000 0.446 67 G N 0.309 108.586 108.800 -0.872 0.000 2.421 67 G HA2 -0.161 3.799 3.960 0.000 0.000 0.217 67 G HA3 -0.161 3.799 3.960 0.000 0.000 0.217 67 G C 1.458 176.267 174.900 -0.151 0.000 1.143 67 G CA 0.311 45.109 45.100 -0.503 0.000 0.784 67 G HN 0.097 nan 8.290 nan 0.000 0.541 68 V N 0.722 120.552 119.914 -0.139 0.000 2.261 68 V HA -0.177 3.943 4.120 0.000 0.000 0.246 68 V C 2.941 179.024 176.094 -0.018 0.000 1.047 68 V CA 2.016 64.304 62.300 -0.021 0.000 1.015 68 V CB -0.438 31.389 31.823 0.006 0.000 0.642 68 V HN 0.313 nan 8.190 nan 0.000 0.446 69 R N -0.140 120.342 120.500 -0.029 0.000 2.092 69 R HA -0.071 4.269 4.340 0.000 0.000 0.231 69 R C 2.385 178.680 176.300 -0.009 0.000 1.119 69 R CA 1.324 57.423 56.100 -0.000 0.000 0.970 69 R CB -0.520 29.787 30.300 0.011 0.000 0.864 69 R HN 0.544 nan 8.270 nan 0.000 0.440 70 A N 0.745 123.544 122.820 -0.034 0.000 1.898 70 A HA -0.056 4.264 4.320 0.000 0.000 0.216 70 A C 2.367 179.904 177.584 -0.077 0.000 1.181 70 A CA 1.647 53.663 52.037 -0.035 0.000 0.620 70 A CB -0.991 17.994 19.000 -0.026 0.000 0.819 70 A HN 0.446 nan 8.150 nan 0.000 0.442 71 G N 0.083 108.828 108.800 -0.092 0.000 2.418 71 G HA2 -0.191 3.769 3.960 0.000 0.000 0.217 71 G HA3 -0.191 3.769 3.960 0.000 0.000 0.217 71 G C 1.522 176.337 174.900 -0.142 0.000 1.158 71 G CA 1.114 46.117 45.100 -0.162 0.000 0.771 71 G HN 0.471 nan 8.290 nan 0.000 0.545 72 I N 1.388 121.898 120.570 -0.100 0.000 2.226 72 I HA -0.194 3.976 4.170 0.000 0.000 0.245 72 I C 3.287 179.233 176.117 -0.286 0.000 1.100 72 I CA 0.951 62.165 61.300 -0.143 0.000 1.374 72 I CB -0.205 37.760 38.000 -0.060 0.000 1.057 72 I HN 0.250 nan 8.210 nan 0.000 0.413 73 A N 0.212 122.922 122.820 -0.182 0.000 1.933 73 A HA -0.204 4.116 4.320 0.000 0.000 0.218 73 A C 2.361 179.798 177.584 -0.244 0.000 1.175 73 A CA 2.436 54.355 52.037 -0.197 0.000 0.628 73 A CB -0.990 18.040 19.000 0.050 0.000 0.814 73 A HN 0.390 nan 8.150 nan 0.000 0.444 74 T N -0.310 114.135 114.554 -0.182 0.000 2.857 74 T HA -0.015 4.335 4.350 0.000 0.000 0.266 74 T C 1.876 176.469 174.700 -0.179 0.000 1.048 74 T CA 1.640 63.646 62.100 -0.157 0.000 1.139 74 T CB -0.211 68.569 68.868 -0.147 0.000 0.874 74 T HN 0.471 nan 8.240 nan 0.000 0.455 75 M N 0.521 119.995 119.600 -0.210 0.000 2.447 75 M HA 0.230 4.710 4.480 0.000 0.000 0.266 75 M C 2.873 179.038 176.300 -0.224 0.000 1.120 75 M CA 0.674 55.865 55.300 -0.181 0.000 1.166 75 M CB -0.390 32.125 32.600 -0.142 0.000 1.349 75 M HN 0.237 nan 8.290 nan 0.000 0.463 76 A N 1.654 124.255 122.820 -0.366 0.000 1.896 76 A HA -0.183 4.137 4.320 0.000 0.000 0.220 76 A C -0.320 177.105 177.584 -0.265 0.000 1.206 76 A CA 2.143 53.925 52.037 -0.425 0.000 0.647 76 A CB -2.233 16.175 19.000 -0.985 0.000 0.828 76 A HN 0.289 nan 8.150 nan 0.000 0.455 77 P HA -0.175 nan 4.420 nan 0.000 0.217 77 P C 1.685 178.946 177.300 -0.066 0.000 1.151 77 P CA 2.069 65.119 63.100 -0.085 0.000 0.849 77 P CB -0.221 31.446 31.700 -0.054 0.000 0.787 78 S N -1.980 113.670 115.700 -0.084 0.000 2.603 78 S HA 0.052 4.522 4.470 0.000 0.000 0.220 78 S C 1.550 176.114 174.600 -0.061 0.000 0.967 78 S CA 0.407 58.569 58.200 -0.063 0.000 0.920 78 S CB -1.121 62.042 63.200 -0.063 0.000 0.773 78 S HN 0.104 nan 8.310 nan 0.000 0.529 79 L N 0.720 121.900 121.223 -0.072 0.000 2.554 79 L HA 0.323 4.663 4.340 0.000 0.000 0.225 79 L C 0.139 176.979 176.870 -0.050 0.000 1.104 79 L CA -0.185 54.617 54.840 -0.064 0.000 0.866 79 L CB -0.162 41.853 42.059 -0.074 0.000 1.047 79 L HN 0.279 nan 8.230 nan 0.000 0.468 80 I N 1.402 121.949 120.570 -0.039 0.000 2.598 80 I HA 0.094 4.264 4.170 0.000 0.000 0.284 80 I C 1.435 177.534 176.117 -0.029 0.000 1.140 80 I CA 1.070 62.355 61.300 -0.026 0.000 1.420 80 I CB -0.063 37.932 38.000 -0.008 0.000 1.387 80 I HN 0.375 nan 8.210 nan 0.000 0.553 81 G N 5.545 114.326 108.800 -0.031 0.000 2.213 81 G HA2 -0.198 3.762 3.960 0.000 0.000 0.226 81 G HA3 -0.198 3.762 3.960 0.000 0.000 0.226 81 G C 0.242 175.117 174.900 -0.041 0.000 0.992 81 G CA -0.445 44.636 45.100 -0.032 0.000 0.632 81 G HN 0.455 nan 8.290 nan 0.000 0.511 82 L N 1.130 122.324 121.223 -0.049 0.000 2.439 82 L HA 0.448 4.788 4.340 0.000 0.000 0.261 82 L C 0.247 177.073 176.870 -0.073 0.000 1.153 82 L CA -0.752 54.051 54.840 -0.061 0.000 0.808 82 L CB 0.691 42.711 42.059 -0.066 0.000 1.126 82 L HN 0.100 nan 8.230 nan 0.000 0.460 83 D N 3.354 123.700 120.400 -0.089 0.000 2.336 83 D HA 0.093 4.733 4.640 0.000 0.000 0.249 83 D C -1.512 174.697 176.300 -0.152 0.000 1.213 83 D CA -1.890 52.043 54.000 -0.111 0.000 0.870 83 D CB 1.436 42.164 40.800 -0.120 0.000 1.076 83 D HN 0.235 nan 8.370 nan 0.000 0.483 84 P HA -0.091 nan 4.420 nan 0.000 0.225 84 P C 0.924 178.038 177.300 -0.311 0.000 1.148 84 P CA 0.570 63.566 63.100 -0.173 0.000 0.779 84 P CB 0.437 32.073 31.700 -0.106 0.000 0.780 85 R N -0.064 120.205 120.500 -0.386 0.000 2.193 85 R HA 0.070 4.411 4.340 0.000 0.000 0.213 85 R C 1.370 177.164 176.300 -0.844 0.000 1.055 85 R CA 0.402 56.031 56.100 -0.785 0.000 0.995 85 R CB -0.238 29.684 30.300 -0.631 0.000 0.893 85 R HN 0.166 nan 8.270 nan 0.000 0.459 86 R N 1.773 121.985 120.500 -0.480 0.000 4.496 86 R HA 0.022 4.362 4.340 0.000 0.000 0.211 86 R C 1.546 177.655 176.300 -0.320 0.000 1.738 86 R CA -0.204 55.679 56.100 -0.363 0.000 1.528 86 R CB 0.202 30.367 30.300 -0.224 0.000 1.414 86 R HN 0.125 nan 8.270 nan 0.000 0.812 87 V N -1.765 117.883 119.914 -0.444 0.000 2.278 87 V HA -0.340 3.780 4.120 0.000 0.000 0.251 87 V C 1.484 177.507 176.094 -0.120 0.000 1.062 87 V CA 1.865 63.972 62.300 -0.321 0.000 1.038 87 V CB -0.167 31.357 31.823 -0.497 0.000 0.646 87 V HN 0.457 nan 8.190 nan 0.000 0.447 88 D N -0.134 120.212 120.400 -0.090 0.000 2.178 88 D HA -0.109 4.531 4.640 0.000 0.000 0.202 88 D C 2.397 178.673 176.300 -0.039 0.000 0.974 88 D CA 1.206 55.193 54.000 -0.022 0.000 0.841 88 D CB -0.103 40.693 40.800 -0.006 0.000 0.953 88 D HN 0.431 nan 8.370 nan 0.000 0.478 89 R N 0.624 121.079 120.500 -0.075 0.000 2.115 89 R HA -0.009 4.331 4.340 0.000 0.000 0.226 89 R C 2.258 178.520 176.300 -0.062 0.000 1.100 89 R CA 0.167 56.227 56.100 -0.067 0.000 0.980 89 R CB -0.404 29.846 30.300 -0.084 0.000 0.875 89 R HN 0.265 nan 8.270 nan 0.000 0.445 90 I N 1.631 122.154 120.570 -0.079 0.000 2.226 90 I HA -0.229 3.941 4.170 0.000 0.000 0.245 90 I C 1.819 177.917 176.117 -0.033 0.000 1.100 90 I CA 1.119 62.380 61.300 -0.065 0.000 1.374 90 I CB -0.982 36.968 38.000 -0.082 0.000 1.057 90 I HN 0.211 nan 8.210 nan 0.000 0.413 91 N N 0.798 119.489 118.700 -0.014 0.000 2.188 91 N HA -0.168 4.572 4.740 0.000 0.000 0.184 91 N C 1.278 176.789 175.510 0.002 0.000 1.018 91 N CA 1.188 54.245 53.050 0.011 0.000 0.858 91 N CB -0.024 38.486 38.487 0.039 0.000 0.989 91 N HN 0.359 nan 8.380 nan 0.000 0.426 92 D N 1.288 121.683 120.400 -0.008 0.000 2.117 92 D HA -0.069 4.571 4.640 0.000 0.000 0.197 92 D C 1.905 178.195 176.300 -0.016 0.000 0.987 92 D CA 0.713 54.707 54.000 -0.010 0.000 0.829 92 D CB -0.273 40.517 40.800 -0.016 0.000 0.961 92 D HN 0.196 nan 8.370 nan 0.000 0.460 93 A N 0.640 123.445 122.820 -0.026 0.000 1.902 93 A HA -0.154 4.167 4.320 0.000 0.000 0.217 93 A C 2.264 179.829 177.584 -0.031 0.000 1.181 93 A CA 1.265 53.283 52.037 -0.032 0.000 0.623 93 A CB -0.501 18.473 19.000 -0.042 0.000 0.818 93 A HN 0.146 nan 8.150 nan 0.000 0.443 94 M N -0.537 119.048 119.600 -0.025 0.000 2.132 94 M HA -0.140 4.340 4.480 0.000 0.000 0.263 94 M C 1.399 177.691 176.300 -0.013 0.000 1.065 94 M CA 1.546 56.832 55.300 -0.024 0.000 1.122 94 M CB -0.645 31.949 32.600 -0.010 0.000 1.365 94 M HN 0.313 nan 8.290 nan 0.000 0.411 95 D N 0.684 121.083 120.400 -0.002 0.000 2.144 95 D HA -0.146 4.494 4.640 0.000 0.000 0.199 95 D C 1.488 177.787 176.300 -0.002 0.000 0.984 95 D CA 1.159 55.163 54.000 0.007 0.000 0.834 95 D CB -0.464 40.342 40.800 0.011 0.000 0.955 95 D HN 0.319 nan 8.370 nan 0.000 0.465 96 D N 0.197 120.590 120.400 -0.011 0.000 2.219 96 D HA -0.044 4.596 4.640 0.000 0.000 0.205 96 D C 1.840 178.128 176.300 -0.021 0.000 0.970 96 D CA 0.780 54.770 54.000 -0.015 0.000 0.851 96 D CB 0.032 40.820 40.800 -0.019 0.000 0.943 96 D HN 0.170 nan 8.370 nan 0.000 0.488 97 A N -0.335 122.467 122.820 -0.030 0.000 1.984 97 A HA 0.213 4.533 4.320 0.000 0.000 0.214 97 A C 0.750 178.305 177.584 -0.048 0.000 1.173 97 A CA 0.290 52.301 52.037 -0.044 0.000 0.673 97 A CB 0.334 19.297 19.000 -0.062 0.000 0.830 97 A HN 0.198 nan 8.150 nan 0.000 0.453 98 L N -0.976 120.227 121.223 -0.033 0.000 2.676 98 L HA 0.467 4.807 4.340 0.000 0.000 0.262 98 L C -1.029 175.866 176.870 0.041 0.000 0.932 98 L CA -0.304 54.520 54.840 -0.028 0.000 0.932 98 L CB 1.479 43.472 42.059 -0.110 0.000 1.355 98 L HN 0.259 nan 8.230 nan 0.000 0.421 99 L N 5.711 126.980 121.223 0.077 0.000 2.439 99 L HA 0.654 4.994 4.340 0.000 0.000 0.269 99 L C 1.253 178.230 176.870 0.178 0.000 1.179 99 L CA 1.372 56.270 54.840 0.096 0.000 0.828 99 L CB 0.606 42.706 42.059 0.068 0.000 1.106 99 L HN 1.019 nan 8.230 nan 0.000 0.467 100 G N 2.331 111.193 108.800 0.103 0.000 2.574 100 G HA2 -0.369 3.591 3.960 0.000 0.000 0.286 100 G HA3 -0.369 3.591 3.960 0.000 0.000 0.286 100 G C 0.128 175.110 174.900 0.136 0.000 1.212 100 G CA 0.324 45.462 45.100 0.065 0.000 0.979 100 G HN 1.140 nan 8.290 nan 0.000 0.557 101 H N 0.018 119.103 119.070 0.026 0.000 2.692 101 H HA -0.148 4.408 4.556 0.000 0.000 0.316 101 H C 1.652 176.996 175.328 0.027 0.000 1.176 101 H CA 1.317 57.382 56.048 0.028 0.000 1.142 101 H CB -1.074 28.698 29.762 0.017 0.000 1.475 101 H HN 0.648 nan 8.280 nan 0.000 0.423 102 E N 0.812 121.059 120.200 0.078 0.000 2.160 102 E HA -0.149 4.201 4.350 0.000 0.000 0.195 102 E C 1.931 178.577 176.600 0.076 0.000 0.991 102 E CA 1.536 57.978 56.400 0.070 0.000 0.810 102 E CB -0.033 29.696 29.700 0.047 0.000 0.742 102 E HN 0.732 nan 8.360 nan 0.000 0.466 103 D N 0.131 120.577 120.400 0.077 0.000 2.178 103 D HA -0.131 4.509 4.640 0.000 0.000 0.201 103 D C 1.684 178.035 176.300 0.085 0.000 0.980 103 D CA 1.421 55.469 54.000 0.081 0.000 0.842 103 D CB -0.433 40.418 40.800 0.085 0.000 0.948 103 D HN 0.194 nan 8.370 nan 0.000 0.472 104 A N 0.666 123.547 122.820 0.101 0.000 1.935 104 A HA -0.041 4.279 4.320 0.000 0.000 0.214 104 A C 2.140 179.756 177.584 0.053 0.000 1.178 104 A CA 0.925 53.005 52.037 0.072 0.000 0.640 104 A CB -0.307 18.733 19.000 0.068 0.000 0.825 104 A HN 0.171 nan 8.150 nan 0.000 0.447 105 K N -0.492 119.947 120.400 0.064 0.000 2.217 105 K HA -0.034 4.286 4.320 0.000 0.000 0.202 105 K C 1.887 178.526 176.600 0.065 0.000 1.051 105 K CA 1.360 57.678 56.287 0.052 0.000 0.952 105 K CB -0.261 32.273 32.500 0.057 0.000 0.736 105 K HN 0.416 nan 8.250 nan 0.000 0.453 106 T N 1.422 116.020 114.554 0.075 0.000 2.607 106 T HA -0.228 4.122 4.350 0.000 0.000 0.267 106 T C 2.062 176.820 174.700 0.097 0.000 1.049 106 T CA 1.717 63.868 62.100 0.085 0.000 1.162 106 T CB -0.349 68.565 68.868 0.078 0.000 0.863 106 T HN 0.352 nan 8.240 nan 0.000 0.424 107 A N 0.807 123.683 122.820 0.094 0.000 1.940 107 A HA -0.058 4.262 4.320 0.000 0.000 0.219 107 A C 2.313 179.959 177.584 0.103 0.000 1.176 107 A CA 1.352 53.455 52.037 0.110 0.000 0.631 107 A CB -0.815 18.253 19.000 0.113 0.000 0.814 107 A HN 0.562 nan 8.150 nan 0.000 0.446 108 I N -0.668 119.946 120.570 0.074 0.000 2.202 108 I HA -0.221 3.949 4.170 0.000 0.000 0.242 108 I C 2.307 178.473 176.117 0.081 0.000 1.091 108 I CA 1.856 63.187 61.300 0.052 0.000 1.368 108 I CB -0.439 37.570 38.000 0.015 0.000 1.058 108 I HN 0.419 nan 8.210 nan 0.000 0.410 109 D N 0.741 121.207 120.400 0.110 0.000 2.097 109 D HA -0.167 4.473 4.640 0.000 0.000 0.195 109 D C 2.160 178.633 176.300 0.287 0.000 0.989 109 D CA 1.306 55.413 54.000 0.179 0.000 0.827 109 D CB 0.118 41.037 40.800 0.199 0.000 0.966 109 D HN 0.033 nan 8.370 nan 0.000 0.456 110 V N 0.652 120.709 119.914 0.238 0.000 2.392 110 V HA -0.229 3.891 4.120 0.000 0.000 0.249 110 V C 2.505 178.755 176.094 0.260 0.000 1.059 110 V CA 1.757 64.210 62.300 0.254 0.000 1.051 110 V CB -0.888 31.034 31.823 0.165 0.000 0.658 110 V HN 0.380 nan 8.190 nan 0.000 0.455 111 A N -1.270 121.663 122.820 0.188 0.000 1.930 111 A HA -0.236 4.084 4.320 0.000 0.000 0.217 111 A C 2.336 179.993 177.584 0.123 0.000 1.175 111 A CA 2.031 54.152 52.037 0.140 0.000 0.627 111 A CB -0.984 18.050 19.000 0.057 0.000 0.815 111 A HN 0.592 nan 8.150 nan 0.000 0.443 112 C N -2.847 116.519 119.300 0.111 0.000 2.446 112 C HA -0.130 4.330 4.460 0.000 0.000 0.277 112 C C 2.353 177.384 174.990 0.068 0.000 1.275 112 C CA 0.510 59.546 59.018 0.031 0.000 1.727 112 C CB -1.700 26.008 27.740 -0.053 0.000 2.010 112 C HN 0.836 nan 8.230 nan 0.000 0.486 113 W N 1.050 122.419 121.300 0.115 0.000 2.388 113 W HA -0.097 4.563 4.660 0.000 0.000 0.294 113 W C 2.268 178.859 176.519 0.119 0.000 1.212 113 W CA 1.652 59.095 57.345 0.164 0.000 1.271 113 W CB -0.496 29.027 29.460 0.104 0.000 1.126 113 W HN 0.326 nan 8.180 nan 0.000 0.535 114 D N 0.234 120.818 120.400 0.305 0.000 2.084 114 D HA -0.191 4.449 4.640 0.000 0.000 0.194 114 D C 1.977 178.377 176.300 0.167 0.000 0.990 114 D CA 1.653 55.779 54.000 0.210 0.000 0.826 114 D CB -0.431 40.503 40.800 0.224 0.000 0.971 114 D HN 0.078 nan 8.370 nan 0.000 0.453 115 I N 0.002 120.659 120.570 0.145 0.000 2.163 115 I HA -0.267 3.903 4.170 0.000 0.000 0.243 115 I C 2.253 178.462 176.117 0.155 0.000 1.085 115 I CA 0.739 62.105 61.300 0.110 0.000 1.347 115 I CB -0.365 37.669 38.000 0.057 0.000 1.044 115 I HN 0.038 nan 8.210 nan 0.000 0.408 116 F N 2.053 121.973 119.950 -0.050 0.000 2.091 116 F HA -0.201 4.326 4.527 0.000 0.000 0.299 116 F C 2.287 178.072 175.800 -0.025 0.000 1.103 116 F CA 1.683 59.625 58.000 -0.097 0.000 1.228 116 F CB -1.263 37.579 39.000 -0.263 0.000 0.984 116 F HN 0.026 nan 8.300 nan 0.000 0.477 117 G N 0.011 108.794 108.800 -0.029 0.000 2.418 117 G HA2 -0.255 3.706 3.960 0.000 0.000 0.217 117 G HA3 -0.255 3.706 3.960 0.000 0.000 0.217 117 G C 1.835 176.706 174.900 -0.048 0.000 1.158 117 G CA 0.763 45.781 45.100 -0.137 0.000 0.771 117 G HN 0.379 nan 8.290 nan 0.000 0.545 118 K N 0.929 121.347 120.400 0.029 0.000 2.057 118 K HA -0.089 4.231 4.320 0.000 0.000 0.207 118 K C 3.006 179.628 176.600 0.038 0.000 1.049 118 K CA 1.483 57.796 56.287 0.042 0.000 0.931 118 K CB -0.199 32.344 32.500 0.072 0.000 0.714 118 K HN 0.455 nan 8.250 nan 0.000 0.440 119 S N 0.938 116.674 115.700 0.060 0.000 2.400 119 S HA -0.112 4.358 4.470 0.000 0.000 0.232 119 S C 1.984 176.612 174.600 0.046 0.000 1.025 119 S CA 1.375 59.615 58.200 0.067 0.000 0.993 119 S CB -0.529 62.739 63.200 0.113 0.000 0.808 119 S HN 0.204 nan 8.310 nan 0.000 0.478 120 V N -2.736 117.185 119.914 0.013 0.000 3.578 120 V HA 0.666 4.786 4.120 0.000 0.000 0.290 120 V C 1.306 177.381 176.094 -0.031 0.000 1.376 120 V CA -0.024 62.269 62.300 -0.013 0.000 1.083 120 V CB -0.899 30.893 31.823 -0.051 0.000 0.911 120 V HN 0.842 nan 8.190 nan 0.000 0.433 121 G N 1.097 109.882 108.800 -0.026 0.000 2.246 121 G HA2 -0.225 3.735 3.960 0.000 0.000 0.273 121 G HA3 -0.225 3.735 3.960 0.000 0.000 0.273 121 G C -0.375 174.505 174.900 -0.034 0.000 1.055 121 G CA 0.815 45.903 45.100 -0.019 0.000 0.851 121 G HN 0.628 nan 8.290 nan 0.000 0.500 122 L N -0.822 120.362 121.223 -0.065 0.000 2.388 122 L HA 0.531 4.871 4.340 0.000 0.000 0.264 122 L C -2.290 174.539 176.870 -0.068 0.000 0.998 122 L CA -2.674 52.126 54.840 -0.068 0.000 0.817 122 L CB 2.628 44.627 42.059 -0.100 0.000 1.338 122 L HN -0.135 nan 8.230 nan 0.000 0.414 123 P HA 0.061 nan 4.420 nan 0.000 0.272 123 P C 0.805 178.044 177.300 -0.102 0.000 1.230 123 P CA -0.372 62.713 63.100 -0.026 0.000 0.788 123 P CB 0.869 32.622 31.700 0.088 0.000 0.949 124 V N 1.848 121.571 119.914 -0.319 0.000 2.332 124 V HA -0.299 3.821 4.120 0.000 0.000 0.248 124 V C 2.316 178.354 176.094 -0.092 0.000 1.055 124 V CA 2.638 64.794 62.300 -0.239 0.000 1.038 124 V CB -1.394 30.148 31.823 -0.468 0.000 0.651 124 V HN 0.821 nan 8.190 nan 0.000 0.450 125 C N -0.183 119.163 119.300 0.076 0.000 2.410 125 C HA -0.100 4.360 4.460 0.000 0.000 0.281 125 C C 2.357 177.371 174.990 0.039 0.000 1.318 125 C CA 0.505 59.584 59.018 0.102 0.000 1.776 125 C CB -1.144 26.706 27.740 0.184 0.000 1.942 125 C HN 0.571 nan 8.230 nan 0.000 0.508 126 E N 1.256 121.475 120.200 0.032 0.000 2.152 126 E HA 0.039 4.389 4.350 0.000 0.000 0.192 126 E C 2.111 178.724 176.600 0.021 0.000 0.983 126 E CA 0.820 57.229 56.400 0.015 0.000 0.818 126 E CB -0.334 29.364 29.700 -0.003 0.000 0.758 126 E HN 0.740 nan 8.360 nan 0.000 0.467 127 L N 0.291 121.534 121.223 0.033 0.000 2.492 127 L HA 0.040 4.380 4.340 0.000 0.000 0.223 127 L C 1.941 178.980 176.870 0.281 0.000 1.132 127 L CA 0.165 55.069 54.840 0.107 0.000 0.850 127 L CB -0.002 42.059 42.059 0.004 0.000 0.966 127 L HN 0.007 nan 8.230 nan 0.000 0.454 128 L N -0.553 120.748 121.223 0.129 0.000 2.629 128 L HA 0.198 4.538 4.340 0.000 0.000 0.230 128 L C 1.288 178.191 176.870 0.055 0.000 1.151 128 L CA 0.545 55.411 54.840 0.043 0.000 0.924 128 L CB 0.068 42.028 42.059 -0.166 0.000 1.137 128 L HN 0.422 nan 8.230 nan 0.000 0.457 129 G N -1.041 107.801 108.800 0.071 0.000 2.296 129 G HA2 -0.020 3.940 3.960 0.000 0.000 0.188 129 G HA3 -0.020 3.940 3.960 0.000 0.000 0.188 129 G C 0.480 175.397 174.900 0.029 0.000 1.000 129 G CA -0.390 44.740 45.100 0.050 0.000 0.672 129 G HN 0.705 nan 8.290 nan 0.000 0.483 130 G N -0.373 108.440 108.800 0.021 0.000 2.841 130 G HA2 0.472 4.432 3.960 0.000 0.000 0.684 130 G HA3 0.472 4.432 3.960 0.000 0.000 0.684 130 G C -0.222 174.680 174.900 0.004 0.000 1.273 130 G CA 0.368 45.475 45.100 0.012 0.000 0.811 130 G HN 1.615 nan 8.290 nan 0.000 0.631 131 R N 0.262 120.763 120.500 0.001 0.000 2.594 131 R HA 0.660 5.000 4.340 0.000 0.000 0.272 131 R C 0.914 177.204 176.300 -0.015 0.000 1.074 131 R CA 0.142 56.238 56.100 -0.008 0.000 1.105 131 R CB 0.515 30.808 30.300 -0.012 0.000 1.008 131 R HN 0.918 nan 8.270 nan 0.000 0.472 132 T N -0.421 114.120 114.554 -0.021 0.000 2.816 132 T HA 0.088 4.438 4.350 0.000 0.000 0.282 132 T C 0.832 175.515 174.700 -0.029 0.000 0.993 132 T CA -0.691 61.396 62.100 -0.023 0.000 0.994 132 T CB 0.793 69.647 68.868 -0.024 0.000 1.025 132 T HN 0.831 nan 8.240 nan 0.000 0.529 133 N N -0.312 118.370 118.700 -0.031 0.000 2.279 133 N HA 0.095 4.835 4.740 0.000 0.000 0.226 133 N C -0.102 175.379 175.510 -0.048 0.000 1.126 133 N CA -0.503 52.525 53.050 -0.038 0.000 0.846 133 N CB -0.222 38.244 38.487 -0.034 0.000 1.050 133 N HN 0.820 nan 8.380 nan 0.000 0.502 134 T N -2.604 111.922 114.554 -0.046 0.000 2.932 134 T HA 0.534 4.884 4.350 0.000 0.000 0.289 134 T C 0.219 174.891 174.700 -0.047 0.000 1.039 134 T CA -0.953 61.113 62.100 -0.057 0.000 1.024 134 T CB 2.199 71.041 68.868 -0.044 0.000 1.090 134 T HN -0.022 nan 8.240 nan 0.000 0.496 135 R N 0.430 120.887 120.500 -0.072 0.000 2.649 135 R HA 0.495 4.835 4.340 0.000 0.000 0.270 135 R C -0.394 175.992 176.300 0.143 0.000 1.105 135 R CA -0.721 55.376 56.100 -0.004 0.000 1.193 135 R CB 0.344 30.568 30.300 -0.126 0.000 1.120 135 R HN 0.549 nan 8.270 nan 0.000 0.561 136 L N 3.122 124.475 121.223 0.217 0.000 2.276 136 L HA 0.377 4.717 4.340 0.000 0.000 0.286 136 L C -2.075 174.897 176.870 0.170 0.000 1.024 136 L CA -2.280 52.658 54.840 0.164 0.000 0.826 136 L CB 1.446 43.536 42.059 0.051 0.000 1.211 136 L HN 0.297 nan 8.230 nan 0.000 0.422 137 P HA 0.203 nan 4.420 nan 0.000 0.275 137 P C -0.653 176.420 177.300 -0.379 0.000 1.227 137 P CA -0.246 62.531 63.100 -0.539 0.000 0.781 137 P CB 1.336 32.823 31.700 -0.356 0.000 0.906 138 L N 3.458 124.347 121.223 -0.557 0.000 2.399 138 L HA 0.479 4.819 4.340 0.000 0.000 0.266 138 L C 0.931 177.653 176.870 -0.247 0.000 1.114 138 L CA -0.870 53.748 54.840 -0.371 0.000 0.804 138 L CB 0.813 42.550 42.059 -0.538 0.000 1.146 138 L HN 0.346 nan 8.230 nan 0.000 0.451 139 I N 0.839 121.371 120.570 -0.065 0.000 2.441 139 I HA 0.289 4.459 4.170 0.000 0.000 0.295 139 I C 0.394 176.480 176.117 -0.051 0.000 0.994 139 I CA -0.202 61.077 61.300 -0.035 0.000 1.144 139 I CB 1.859 39.824 38.000 -0.058 0.000 1.314 139 I HN 0.795 nan 8.210 nan 0.000 0.445 140 S N 4.509 120.047 115.700 -0.270 0.000 2.645 140 S HA 0.474 4.944 4.470 0.000 0.000 0.266 140 S C -0.281 173.960 174.600 -0.598 0.000 1.258 140 S CA -0.550 57.149 58.200 -0.835 0.000 0.990 140 S CB 1.430 63.660 63.200 -1.616 0.000 0.967 140 S HN 0.596 nan 8.310 nan 0.000 0.556 141 S N 1.316 116.614 115.700 -0.669 0.000 2.733 141 S HA 0.436 4.906 4.470 0.000 0.000 0.307 141 S C -0.813 173.383 174.600 -0.672 0.000 1.127 141 S CA -0.715 57.143 58.200 -0.570 0.000 1.097 141 S CB 0.385 63.275 63.200 -0.516 0.000 1.003 141 S HN 0.586 nan 8.310 nan 0.000 0.477 142 I N 4.227 124.504 120.570 -0.489 0.000 2.307 142 I HA 0.272 4.442 4.170 0.000 0.000 0.287 142 I C -0.403 175.550 176.117 -0.273 0.000 1.054 142 I CA -0.724 60.394 61.300 -0.303 0.000 1.218 142 I CB -0.730 37.186 38.000 -0.139 0.000 1.398 142 I HN 0.513 nan 8.210 nan 0.000 0.475 143 Y N 4.345 124.661 120.300 0.028 0.000 2.457 143 Y HA 0.081 4.632 4.550 0.000 0.000 0.341 143 Y C 1.086 176.988 175.900 0.004 0.000 1.240 143 Y CA -0.203 57.909 58.100 0.020 0.000 1.437 143 Y CB 0.252 38.726 38.460 0.023 0.000 1.328 143 Y HN 0.215 nan 8.280 nan 0.000 0.588 144 V N 2.516 122.537 119.914 0.178 0.000 2.644 144 V HA 0.323 4.443 4.120 0.000 0.000 0.305 144 V C 0.723 176.858 176.094 0.068 0.000 1.053 144 V CA 1.265 63.615 62.300 0.083 0.000 1.186 144 V CB -0.314 31.548 31.823 0.064 0.000 0.895 144 V HN 0.993 nan 8.190 nan 0.000 0.490 145 G N 4.061 112.883 108.800 0.037 0.000 2.490 145 G HA2 0.424 4.384 3.960 0.000 0.000 0.308 145 G HA3 0.424 4.384 3.960 0.000 0.000 0.308 145 G C -1.152 173.753 174.900 0.009 0.000 1.286 145 G CA -0.750 44.366 45.100 0.026 0.000 0.825 145 G HN 0.431 nan 8.290 nan 0.000 0.479 146 E N 0.580 120.783 120.200 0.005 0.000 2.413 146 E HA 0.155 4.505 4.350 0.000 0.000 0.263 146 E C -1.488 175.110 176.600 -0.004 0.000 1.015 146 E CA -1.418 54.980 56.400 -0.002 0.000 0.916 146 E CB 1.459 31.157 29.700 -0.003 0.000 0.947 146 E HN 0.018 nan 8.360 nan 0.000 0.440 147 P HA -0.195 nan 4.420 nan 0.000 0.215 147 P C 0.751 178.044 177.300 -0.011 0.000 1.157 147 P CA 1.521 64.611 63.100 -0.016 0.000 0.874 147 P CB 0.322 32.010 31.700 -0.021 0.000 0.790 148 E N -0.760 119.435 120.200 -0.008 0.000 2.118 148 E HA -0.180 4.170 4.350 0.000 0.000 0.195 148 E C 1.720 178.321 176.600 0.001 0.000 0.992 148 E CA 1.281 57.678 56.400 -0.005 0.000 0.804 148 E CB -0.735 28.962 29.700 -0.005 0.000 0.741 148 E HN 0.320 nan 8.360 nan 0.000 0.458 149 D N -0.118 120.284 120.400 0.004 0.000 2.123 149 D HA -0.071 4.569 4.640 0.000 0.000 0.200 149 D C 1.905 178.216 176.300 0.019 0.000 0.976 149 D CA 0.932 54.939 54.000 0.011 0.000 0.831 149 D CB -0.134 40.675 40.800 0.015 0.000 0.974 149 D HN 0.216 nan 8.370 nan 0.000 0.469 150 M N 0.162 119.772 119.600 0.017 0.000 2.117 150 M HA -0.125 4.355 4.480 0.000 0.000 0.262 150 M C 2.334 178.651 176.300 0.028 0.000 1.065 150 M CA 1.082 56.394 55.300 0.021 0.000 1.114 150 M CB -0.137 32.466 32.600 0.005 0.000 1.361 150 M HN -0.094 nan 8.290 nan 0.000 0.408 151 R N 0.637 121.146 120.500 0.015 0.000 2.081 151 R HA -0.123 4.217 4.340 0.000 0.000 0.235 151 R C 2.161 178.480 176.300 0.031 0.000 1.131 151 R CA 1.650 57.761 56.100 0.019 0.000 0.960 151 R CB -0.226 30.074 30.300 0.001 0.000 0.856 151 R HN 0.348 nan 8.270 nan 0.000 0.436 152 A N 0.908 123.740 122.820 0.020 0.000 1.898 152 A HA -0.127 4.193 4.320 0.000 0.000 0.216 152 A C 2.149 179.742 177.584 0.015 0.000 1.181 152 A CA 1.292 53.337 52.037 0.014 0.000 0.620 152 A CB -0.338 18.664 19.000 0.003 0.000 0.819 152 A HN 0.349 nan 8.150 nan 0.000 0.442 153 R N -0.792 119.725 120.500 0.029 0.000 2.115 153 R HA -0.027 4.313 4.340 0.000 0.000 0.230 153 R C 1.950 178.317 176.300 0.111 0.000 1.111 153 R CA 1.200 57.325 56.100 0.041 0.000 0.976 153 R CB -0.465 29.878 30.300 0.071 0.000 0.870 153 R HN 0.362 nan 8.270 nan 0.000 0.445 154 V N 0.988 120.971 119.914 0.114 0.000 2.343 154 V HA -0.251 3.869 4.120 0.000 0.000 0.247 154 V C 2.389 178.563 176.094 0.132 0.000 1.051 154 V CA 2.025 64.415 62.300 0.150 0.000 1.036 154 V CB -0.650 31.282 31.823 0.182 0.000 0.654 154 V HN 0.423 nan 8.190 nan 0.000 0.451 155 A N -0.335 122.536 122.820 0.086 0.000 1.933 155 A HA -0.279 4.041 4.320 0.000 0.000 0.218 155 A C 2.340 179.939 177.584 0.025 0.000 1.175 155 A CA 2.206 54.280 52.037 0.061 0.000 0.628 155 A CB -0.504 18.519 19.000 0.038 0.000 0.814 155 A HN 0.543 nan 8.150 nan 0.000 0.444 156 K N -1.639 118.746 120.400 -0.026 0.000 2.032 156 K HA -0.207 4.113 4.320 0.000 0.000 0.209 156 K C 1.802 178.296 176.600 -0.177 0.000 1.048 156 K CA 1.875 58.085 56.287 -0.127 0.000 0.927 156 K CB -0.370 31.994 32.500 -0.227 0.000 0.712 156 K HN 0.492 nan 8.250 nan 0.000 0.441 157 Y N 0.839 121.045 120.300 -0.156 0.000 2.293 157 Y HA -0.115 4.435 4.550 0.000 0.000 0.291 157 Y C 2.582 178.435 175.900 -0.079 0.000 1.137 157 Y CA 1.597 59.525 58.100 -0.287 0.000 1.202 157 Y CB -0.187 38.006 38.460 -0.444 0.000 0.990 157 Y HN 0.126 nan 8.280 nan 0.000 0.537 158 R N 0.260 120.841 120.500 0.134 0.000 2.081 158 R HA -0.150 4.190 4.340 0.000 0.000 0.235 158 R C 2.250 178.621 176.300 0.119 0.000 1.131 158 R CA 1.235 57.417 56.100 0.136 0.000 0.960 158 R CB -0.388 29.985 30.300 0.122 0.000 0.856 158 R HN 0.270 nan 8.270 nan 0.000 0.436 159 A N 0.815 123.678 122.820 0.073 0.000 2.067 159 A HA -0.096 4.224 4.320 0.000 0.000 0.219 159 A C 1.655 179.286 177.584 0.077 0.000 1.158 159 A CA 1.164 53.235 52.037 0.057 0.000 0.661 159 A CB -0.130 18.880 19.000 0.018 0.000 0.801 159 A HN 0.317 nan 8.150 nan 0.000 0.452 160 K N -1.436 119.029 120.400 0.108 0.000 2.444 160 K HA 0.224 4.544 4.320 0.000 0.000 0.193 160 K C 1.035 177.795 176.600 0.267 0.000 1.024 160 K CA 0.462 56.855 56.287 0.178 0.000 1.077 160 K CB 0.024 32.635 32.500 0.186 0.000 0.833 160 K HN 0.611 nan 8.250 nan 0.000 0.517 161 G N 0.650 109.590 108.800 0.233 0.000 2.175 161 G HA2 -0.268 3.692 3.960 0.000 0.000 0.244 161 G HA3 -0.268 3.692 3.960 0.000 0.000 0.244 161 G C -0.312 174.663 174.900 0.125 0.000 0.982 161 G CA -0.375 44.835 45.100 0.183 0.000 0.641 161 G HN 0.187 nan 8.290 nan 0.000 0.527 162 Y N 0.680 120.971 120.300 -0.014 0.000 2.511 162 Y HA 0.433 4.983 4.550 0.000 0.000 0.332 162 Y C 1.547 177.382 175.900 -0.108 0.000 1.177 162 Y CA 0.186 58.223 58.100 -0.105 0.000 1.422 162 Y CB 0.868 39.298 38.460 -0.051 0.000 1.271 162 Y HN -0.061 nan 8.280 nan 0.000 0.550 163 K N 1.775 122.125 120.400 -0.084 0.000 2.374 163 K HA 0.303 4.623 4.320 0.000 0.000 0.202 163 K C 0.297 176.866 176.600 -0.051 0.000 1.040 163 K CA 0.151 56.422 56.287 -0.027 0.000 1.085 163 K CB 0.928 33.438 32.500 0.017 0.000 0.873 163 K HN 0.750 nan 8.250 nan 0.000 0.539 164 G N 0.881 109.622 108.800 -0.098 0.000 2.617 164 G HA2 0.517 4.477 3.960 0.000 0.000 0.306 164 G HA3 0.517 4.477 3.960 0.000 0.000 0.306 164 G C -1.028 173.716 174.900 -0.260 0.000 1.360 164 G CA -0.347 44.683 45.100 -0.117 0.000 0.983 164 G HN -0.115 nan 8.290 nan 0.000 0.496 165 Q N 0.557 120.072 119.800 -0.475 0.000 2.285 165 Q HA 0.435 4.775 4.340 0.000 0.000 0.269 165 Q C -1.177 174.598 176.000 -0.375 0.000 1.030 165 Q CA -0.748 54.731 55.803 -0.540 0.000 0.788 165 Q CB 2.481 30.692 28.738 -0.877 0.000 1.266 165 Q HN 0.485 nan 8.270 nan 0.000 0.438 166 S N 2.140 117.671 115.700 -0.282 0.000 2.461 166 S HA 0.381 4.851 4.470 0.000 0.000 0.322 166 S C -0.431 174.063 174.600 -0.176 0.000 1.063 166 S CA -0.436 57.650 58.200 -0.189 0.000 1.120 166 S CB 0.358 63.460 63.200 -0.162 0.000 0.968 166 S HN 0.369 nan 8.310 nan 0.000 0.467 167 V N 7.235 127.082 119.914 -0.113 0.000 2.408 167 V HA 0.365 4.485 4.120 0.000 0.000 0.267 167 V C 0.146 176.181 176.094 -0.098 0.000 1.047 167 V CA -0.608 61.634 62.300 -0.097 0.000 0.937 167 V CB 0.831 32.609 31.823 -0.075 0.000 0.999 167 V HN 0.660 nan 8.190 nan 0.000 0.472 168 K N 5.891 126.246 120.400 -0.075 0.000 2.144 168 K HA 0.643 4.963 4.320 0.000 0.000 0.270 168 K C -0.282 176.306 176.600 -0.021 0.000 1.005 168 K CA -0.258 56.013 56.287 -0.027 0.000 0.932 168 K CB 2.070 34.593 32.500 0.039 0.000 1.021 168 K HN 0.743 nan 8.250 nan 0.000 0.462 169 I N -2.690 117.872 120.570 -0.013 0.000 3.002 169 I HA 0.375 4.545 4.170 0.000 0.000 0.310 169 I C 0.941 177.064 176.117 0.010 0.000 1.087 169 I CA -0.778 60.512 61.300 -0.017 0.000 1.017 169 I CB 2.232 40.206 38.000 -0.044 0.000 1.226 169 I HN 0.514 nan 8.210 nan 0.000 0.443 170 S N 0.871 116.575 115.700 0.007 0.000 2.483 170 S HA 0.404 4.874 4.470 0.000 0.000 0.221 170 S C 1.373 175.982 174.600 0.014 0.000 1.030 170 S CA 0.482 58.693 58.200 0.017 0.000 0.925 170 S CB 0.418 63.626 63.200 0.013 0.000 0.795 170 S HN 1.775 nan 8.310 nan 0.000 0.511 171 G N 0.656 109.459 108.800 0.005 0.000 2.205 171 G HA2 -0.118 3.842 3.960 0.000 0.000 0.180 171 G HA3 -0.118 3.842 3.960 0.000 0.000 0.180 171 G C -0.406 174.496 174.900 0.003 0.000 1.004 171 G CA -0.226 44.878 45.100 0.006 0.000 0.670 171 G HN 0.410 nan 8.290 nan 0.000 0.496 172 E N 1.541 121.741 120.200 -0.000 0.000 2.028 172 E HA 0.268 4.618 4.350 0.000 0.000 0.266 172 E C -1.250 175.347 176.600 -0.005 0.000 0.962 172 E CA -1.695 54.703 56.400 -0.002 0.000 0.784 172 E CB 1.891 31.589 29.700 -0.003 0.000 1.114 172 E HN 0.259 nan 8.360 nan 0.000 0.414 173 P HA -0.238 nan 4.420 nan 0.000 0.217 173 P C 1.463 178.760 177.300 -0.006 0.000 1.158 173 P CA 1.038 64.136 63.100 -0.003 0.000 0.887 173 P CB 0.353 32.054 31.700 0.002 0.000 0.792 174 V N 0.245 120.156 119.914 -0.005 0.000 2.261 174 V HA -0.212 3.908 4.120 0.000 0.000 0.246 174 V C 2.737 178.825 176.094 -0.011 0.000 1.047 174 V CA 2.830 65.126 62.300 -0.006 0.000 1.015 174 V CB -1.955 29.865 31.823 -0.005 0.000 0.642 174 V HN 0.199 nan 8.190 nan 0.000 0.446 175 T N -0.767 113.780 114.554 -0.012 0.000 2.857 175 T HA -0.150 4.200 4.350 0.000 0.000 0.266 175 T C 1.659 176.345 174.700 -0.024 0.000 1.048 175 T CA 1.408 63.499 62.100 -0.016 0.000 1.139 175 T CB -0.364 68.496 68.868 -0.013 0.000 0.874 175 T HN 0.432 nan 8.240 nan 0.000 0.455 176 D N 1.432 121.817 120.400 -0.025 0.000 2.178 176 D HA -0.007 4.633 4.640 0.000 0.000 0.201 176 D C 2.292 178.559 176.300 -0.055 0.000 0.980 176 D CA 1.060 55.036 54.000 -0.040 0.000 0.842 176 D CB -0.345 40.433 40.800 -0.036 0.000 0.948 176 D HN 0.402 nan 8.370 nan 0.000 0.472 177 A N 0.974 123.771 122.820 -0.038 0.000 1.902 177 A HA -0.194 4.126 4.320 0.000 0.000 0.217 177 A C 2.064 179.621 177.584 -0.045 0.000 1.181 177 A CA 1.337 53.352 52.037 -0.037 0.000 0.623 177 A CB -0.284 18.708 19.000 -0.014 0.000 0.818 177 A HN 0.155 nan 8.150 nan 0.000 0.443 178 K N -0.609 119.770 120.400 -0.036 0.000 2.097 178 K HA -0.075 4.245 4.320 0.000 0.000 0.205 178 K C 2.288 178.859 176.600 -0.048 0.000 1.050 178 K CA 1.243 57.509 56.287 -0.035 0.000 0.938 178 K CB -0.157 32.328 32.500 -0.025 0.000 0.718 178 K HN 0.383 nan 8.250 nan 0.000 0.442 179 R N 0.793 121.261 120.500 -0.054 0.000 2.073 179 R HA -0.063 4.277 4.340 0.000 0.000 0.234 179 R C 2.340 178.582 176.300 -0.097 0.000 1.134 179 R CA 1.409 57.472 56.100 -0.062 0.000 0.952 179 R CB -0.401 29.865 30.300 -0.056 0.000 0.850 179 R HN 0.154 nan 8.270 nan 0.000 0.433 180 I N 0.165 120.653 120.570 -0.137 0.000 2.226 180 I HA -0.260 3.910 4.170 0.000 0.000 0.245 180 I C 2.095 178.102 176.117 -0.183 0.000 1.100 180 I CA 1.344 62.512 61.300 -0.220 0.000 1.374 180 I CB -0.447 37.361 38.000 -0.320 0.000 1.057 180 I HN 0.202 nan 8.210 nan 0.000 0.413 181 T N 0.747 115.229 114.554 -0.119 0.000 2.720 181 T HA -0.174 4.176 4.350 0.000 0.000 0.268 181 T C 2.034 176.678 174.700 -0.093 0.000 1.037 181 T CA 1.589 63.635 62.100 -0.090 0.000 1.144 181 T CB -0.275 68.562 68.868 -0.051 0.000 0.864 181 T HN 0.492 nan 8.240 nan 0.000 0.444 182 A N 1.309 124.083 122.820 -0.078 0.000 1.872 182 A HA 0.292 4.612 4.320 0.000 0.000 0.214 182 A C 2.648 180.189 177.584 -0.072 0.000 1.187 182 A CA 1.598 53.598 52.037 -0.062 0.000 0.614 182 A CB -1.098 17.877 19.000 -0.041 0.000 0.826 182 A HN 0.485 nan 8.150 nan 0.000 0.442 183 A N -0.865 121.905 122.820 -0.084 0.000 1.978 183 A HA 0.009 4.329 4.320 0.000 0.000 0.220 183 A C 1.675 179.169 177.584 -0.150 0.000 1.170 183 A CA 1.617 53.617 52.037 -0.061 0.000 0.636 183 A CB -0.369 18.606 19.000 -0.042 0.000 0.810 183 A HN 0.400 nan 8.150 nan 0.000 0.448 184 L N -0.923 120.121 121.223 -0.298 0.000 2.628 184 L HA 0.295 4.635 4.340 0.000 0.000 0.229 184 L C 2.442 179.134 176.870 -0.298 0.000 1.137 184 L CA 0.769 55.288 54.840 -0.536 0.000 0.909 184 L CB -0.547 41.170 42.059 -0.569 0.000 1.137 184 L HN 0.330 nan 8.230 nan 0.000 0.470 185 A N 0.478 123.201 122.820 -0.161 0.000 1.927 185 A HA -0.250 4.070 4.320 0.000 0.000 0.220 185 A C 1.622 179.166 177.584 -0.067 0.000 1.185 185 A CA 2.264 54.247 52.037 -0.090 0.000 0.639 185 A CB -0.500 18.469 19.000 -0.052 0.000 0.820 185 A HN 0.536 nan 8.150 nan 0.000 0.451 186 N N -0.313 118.358 118.700 -0.050 0.000 2.328 186 N HA 0.182 4.922 4.740 0.000 0.000 0.247 186 N C -0.399 175.121 175.510 0.016 0.000 1.165 186 N CA 0.004 53.050 53.050 -0.006 0.000 0.873 186 N CB 0.358 38.860 38.487 0.025 0.000 1.125 186 N HN 0.758 nan 8.380 nan 0.000 0.513 187 Q N 0.167 119.933 119.800 -0.057 0.000 2.286 187 Q HA 0.016 4.356 4.340 0.000 0.000 0.290 187 Q C -0.443 175.610 176.000 0.088 0.000 1.049 187 Q CA 0.188 56.000 55.803 0.016 0.000 0.923 187 Q CB 0.644 29.221 28.738 -0.269 0.000 1.183 187 Q HN 0.096 nan 8.270 nan 0.000 0.383 188 Q N 3.218 123.122 119.800 0.172 0.000 2.205 188 Q HA 0.225 4.565 4.340 0.000 0.000 0.249 188 Q C -1.629 174.455 176.000 0.140 0.000 0.948 188 Q CA -2.301 53.582 55.803 0.133 0.000 0.895 188 Q CB 0.946 29.763 28.738 0.131 0.000 1.249 188 Q HN 0.583 nan 8.270 nan 0.000 0.458 189 P HA -0.138 nan 4.420 nan 0.000 0.225 189 P C 0.211 177.582 177.300 0.117 0.000 1.148 189 P CA 1.189 64.350 63.100 0.102 0.000 0.779 189 P CB 0.334 32.078 31.700 0.075 0.000 0.780 190 D N -0.850 119.624 120.400 0.124 0.000 2.388 190 D HA 0.059 4.699 4.640 0.000 0.000 0.221 190 D C -0.018 176.371 176.300 0.147 0.000 1.133 190 D CA -0.185 53.890 54.000 0.125 0.000 0.831 190 D CB -0.111 40.755 40.800 0.111 0.000 0.962 190 D HN 0.219 nan 8.370 nan 0.000 0.502 191 E N -0.143 120.167 120.200 0.182 0.000 2.227 191 E HA 0.438 4.788 4.350 0.000 0.000 0.268 191 E C -1.376 175.384 176.600 0.266 0.000 0.907 191 E CA -1.032 55.477 56.400 0.181 0.000 0.786 191 E CB 2.036 31.856 29.700 0.201 0.000 1.191 191 E HN 0.010 nan 8.360 nan 0.000 0.411 192 F N 2.546 122.491 119.950 -0.008 0.000 2.427 192 F HA 0.446 4.973 4.527 0.000 0.000 0.348 192 F C -1.540 174.217 175.800 -0.071 0.000 1.125 192 F CA -0.960 57.058 58.000 0.030 0.000 0.989 192 F CB 0.477 39.475 39.000 -0.003 0.000 1.165 192 F HN 0.348 nan 8.300 nan 0.000 0.442 193 F N 6.592 126.257 119.950 -0.475 0.000 2.443 193 F HA 0.566 5.093 4.527 0.000 0.000 0.335 193 F C -0.317 175.171 175.800 -0.520 0.000 1.104 193 F CA -0.730 57.049 58.000 -0.368 0.000 1.013 193 F CB 1.333 40.241 39.000 -0.153 0.000 1.136 193 F HN 0.143 nan 8.300 nan 0.000 0.470 194 I N 3.982 124.439 120.570 -0.187 0.000 2.509 194 I HA 0.351 4.521 4.170 0.000 0.000 0.293 194 I C -0.845 175.239 176.117 -0.055 0.000 1.020 194 I CA -0.846 60.385 61.300 -0.116 0.000 1.088 194 I CB 1.922 39.867 38.000 -0.091 0.000 1.267 194 I HN 0.129 nan 8.210 nan 0.000 0.430 195 V N 4.968 124.863 119.914 -0.032 0.000 2.334 195 V HA 0.256 4.376 4.120 0.000 0.000 0.281 195 V C -0.360 175.705 176.094 -0.049 0.000 1.016 195 V CA -0.538 61.672 62.300 -0.151 0.000 0.832 195 V CB 1.598 33.166 31.823 -0.425 0.000 0.999 195 V HN 0.586 nan 8.190 nan 0.000 0.439 196 D N 4.163 124.532 120.400 -0.052 0.000 2.373 196 D HA 0.503 5.143 4.640 0.000 0.000 0.227 196 D C 0.627 176.919 176.300 -0.013 0.000 1.091 196 D CA -0.188 53.799 54.000 -0.022 0.000 0.840 196 D CB 2.150 42.938 40.800 -0.021 0.000 1.060 196 D HN 0.538 nan 8.370 nan 0.000 0.502 197 A N 3.747 126.563 122.820 -0.007 0.000 2.238 197 A HA 0.052 4.372 4.320 0.000 0.000 0.210 197 A C 0.889 178.485 177.584 0.019 0.000 1.179 197 A CA -0.015 52.023 52.037 0.001 0.000 0.827 197 A CB -0.518 18.477 19.000 -0.007 0.000 0.856 197 A HN 0.785 nan 8.150 nan 0.000 0.488 198 N N -1.222 117.494 118.700 0.026 0.000 2.716 198 N HA -0.197 4.543 4.740 0.000 0.000 0.250 198 N C 0.740 176.279 175.510 0.047 0.000 1.033 198 N CA 1.130 54.219 53.050 0.064 0.000 0.727 198 N CB -1.530 37.030 38.487 0.121 0.000 0.950 198 N HN 1.186 nan 8.380 nan 0.000 0.541 199 G N -0.855 107.941 108.800 -0.007 0.000 2.187 199 G HA2 -0.414 3.546 3.960 0.000 0.000 0.261 199 G HA3 -0.414 3.546 3.960 0.000 0.000 0.261 199 G C 0.784 175.686 174.900 0.003 0.000 1.000 199 G CA 0.933 46.020 45.100 -0.022 0.000 0.718 199 G HN 0.578 nan 8.290 nan 0.000 0.519 200 K N -0.901 119.507 120.400 0.014 0.000 2.459 200 K HA 0.285 4.605 4.320 0.000 0.000 0.193 200 K C 0.996 177.601 176.600 0.009 0.000 1.030 200 K CA 0.189 56.488 56.287 0.020 0.000 1.026 200 K CB 0.215 32.732 32.500 0.030 0.000 0.809 200 K HN 0.439 nan 8.250 nan 0.000 0.504 201 L N 1.438 122.660 121.223 -0.001 0.000 2.309 201 L HA 0.185 4.525 4.340 0.000 0.000 0.282 201 L C 0.495 177.362 176.870 -0.005 0.000 1.036 201 L CA -0.750 54.088 54.840 -0.002 0.000 0.806 201 L CB 1.599 43.655 42.059 -0.005 0.000 1.220 201 L HN 0.009 nan 8.230 nan 0.000 0.429 202 S N 1.244 116.944 115.700 0.000 0.000 2.669 202 S HA 0.320 4.790 4.470 0.000 0.000 0.270 202 S C 1.080 175.680 174.600 0.000 0.000 1.225 202 S CA -0.923 57.277 58.200 0.001 0.000 0.991 202 S CB 1.646 64.850 63.200 0.006 0.000 0.987 202 S HN 0.301 nan 8.310 nan 0.000 0.552 203 V N 1.032 120.947 119.914 0.002 0.000 2.343 203 V HA -0.166 3.954 4.120 0.000 0.000 0.247 203 V C 2.767 178.865 176.094 0.006 0.000 1.051 203 V CA 2.314 64.615 62.300 0.003 0.000 1.036 203 V CB -1.247 30.580 31.823 0.007 0.000 0.654 203 V HN 1.031 nan 8.190 nan 0.000 0.451 204 E N 0.189 120.393 120.200 0.007 0.000 2.038 204 E HA -0.253 4.097 4.350 0.000 0.000 0.195 204 E C 2.240 178.845 176.600 0.008 0.000 1.000 204 E CA 2.100 58.504 56.400 0.008 0.000 0.803 204 E CB -0.173 29.531 29.700 0.008 0.000 0.750 204 E HN 0.610 nan 8.360 nan 0.000 0.448 205 T N 0.518 115.076 114.554 0.006 0.000 2.788 205 T HA -0.095 4.256 4.350 0.000 0.000 0.268 205 T C 1.788 176.492 174.700 0.008 0.000 1.044 205 T CA 1.149 63.253 62.100 0.006 0.000 1.139 205 T CB -0.234 68.638 68.868 0.005 0.000 0.867 205 T HN 0.339 nan 8.240 nan 0.000 0.454 206 A N 1.246 124.071 122.820 0.007 0.000 1.898 206 A HA 0.048 4.368 4.320 0.000 0.000 0.216 206 A C 2.283 179.876 177.584 0.016 0.000 1.181 206 A CA 1.087 53.131 52.037 0.012 0.000 0.620 206 A CB -0.778 18.226 19.000 0.006 0.000 0.819 206 A HN 0.466 nan 8.150 nan 0.000 0.442 207 L N -1.135 120.096 121.223 0.013 0.000 2.046 207 L HA -0.183 4.157 4.340 0.000 0.000 0.208 207 L C 2.876 179.755 176.870 0.015 0.000 1.077 207 L CA 1.403 56.251 54.840 0.014 0.000 0.747 207 L CB -0.488 41.578 42.059 0.011 0.000 0.896 207 L HN 0.357 nan 8.230 nan 0.000 0.432 208 R N -0.312 120.196 120.500 0.013 0.000 2.081 208 R HA -0.193 4.147 4.340 0.000 0.000 0.235 208 R C 2.219 178.528 176.300 0.015 0.000 1.131 208 R CA 1.362 57.469 56.100 0.012 0.000 0.960 208 R CB -0.529 29.777 30.300 0.009 0.000 0.856 208 R HN 0.184 nan 8.270 nan 0.000 0.436 209 L N 1.180 122.413 121.223 0.017 0.000 2.017 209 L HA -0.135 4.205 4.340 0.000 0.000 0.208 209 L C 1.930 178.822 176.870 0.036 0.000 1.073 209 L CA 1.685 56.537 54.840 0.020 0.000 0.745 209 L CB -0.489 41.581 42.059 0.018 0.000 0.894 209 L HN 0.124 nan 8.230 nan 0.000 0.432 210 L N -0.701 120.549 121.223 0.044 0.000 2.046 210 L HA -0.205 4.135 4.340 0.000 0.000 0.208 210 L C 2.765 179.659 176.870 0.039 0.000 1.077 210 L CA 1.441 56.314 54.840 0.055 0.000 0.747 210 L CB -0.508 41.576 42.059 0.042 0.000 0.896 210 L HN 0.252 nan 8.230 nan 0.000 0.432 211 R N -0.265 120.252 120.500 0.028 0.000 2.148 211 R HA -0.084 4.256 4.340 0.000 0.000 0.227 211 R C 2.210 178.525 176.300 0.024 0.000 1.103 211 R CA 0.929 57.042 56.100 0.023 0.000 0.983 211 R CB -0.189 30.122 30.300 0.017 0.000 0.874 211 R HN 0.339 nan 8.270 nan 0.000 0.451 212 L N 0.689 121.927 121.223 0.024 0.000 2.240 212 L HA 0.016 4.356 4.340 0.000 0.000 0.211 212 L C 0.617 177.501 176.870 0.025 0.000 1.106 212 L CA 0.135 54.987 54.840 0.020 0.000 0.793 212 L CB -0.068 41.999 42.059 0.013 0.000 0.927 212 L HN 0.102 nan 8.230 nan 0.000 0.446 213 L N 1.835 123.080 121.223 0.037 0.000 2.490 213 L HA 0.071 4.411 4.340 0.000 0.000 0.274 213 L C -1.640 175.257 176.870 0.045 0.000 1.201 213 L CA -1.300 53.567 54.840 0.046 0.000 0.869 213 L CB -0.261 41.851 42.059 0.087 0.000 1.123 213 L HN -0.024 nan 8.230 nan 0.000 0.484 214 P HA 0.056 nan 4.420 nan 0.000 0.276 214 P C -0.730 176.615 177.300 0.074 0.000 1.252 214 P CA -0.437 62.697 63.100 0.056 0.000 0.802 214 P CB 0.606 32.330 31.700 0.041 0.000 1.035 215 H N -0.092 118.981 119.070 0.004 0.000 2.690 215 H HA 0.213 4.769 4.556 0.000 0.000 0.365 215 H C 1.206 176.533 175.328 -0.002 0.000 1.142 215 H CA 1.592 57.639 56.048 -0.000 0.000 1.417 215 H CB 0.338 30.097 29.762 -0.005 0.000 1.446 215 H HN 0.813 nan 8.280 nan 0.000 0.599 216 G N 3.506 111.885 108.800 -0.701 0.000 2.176 216 G HA2 -0.208 3.752 3.960 0.000 0.000 0.232 216 G HA3 -0.208 3.752 3.960 0.000 0.000 0.232 216 G C 0.112 174.908 174.900 -0.174 0.000 0.986 216 G CA 0.159 45.056 45.100 -0.337 0.000 0.643 216 G HN 0.569 nan 8.290 nan 0.000 0.522 217 L N 1.725 122.868 121.223 -0.132 0.000 2.278 217 L HA 0.452 4.792 4.340 0.000 0.000 0.287 217 L C -0.160 176.701 176.870 -0.014 0.000 1.072 217 L CA -0.573 54.261 54.840 -0.011 0.000 0.819 217 L CB 1.129 43.267 42.059 0.132 0.000 1.176 217 L HN 0.163 nan 8.230 nan 0.000 0.435 218 D N 5.246 125.635 120.400 -0.018 0.000 2.396 218 D HA 0.480 5.120 4.640 0.000 0.000 0.225 218 D C -0.786 175.555 176.300 0.068 0.000 1.121 218 D CA -0.058 53.914 54.000 -0.046 0.000 0.853 218 D CB 0.373 41.157 40.800 -0.027 0.000 1.043 218 D HN 0.237 nan 8.370 nan 0.000 0.500 219 F N 1.327 121.210 119.950 -0.111 0.000 2.817 219 F HA 0.795 5.322 4.527 0.000 0.000 0.317 219 F C -1.851 173.867 175.800 -0.135 0.000 1.168 219 F CA -1.461 56.451 58.000 -0.147 0.000 0.911 219 F CB 0.670 39.600 39.000 -0.116 0.000 1.337 219 F HN 0.229 nan 8.300 nan 0.000 0.464 220 A N 1.539 124.368 122.820 0.015 0.000 2.350 220 A HA 0.756 5.076 4.320 0.000 0.000 0.324 220 A C -1.933 175.780 177.584 0.215 0.000 1.118 220 A CA -0.787 51.251 52.037 0.001 0.000 0.783 220 A CB 1.493 20.518 19.000 0.042 0.000 1.236 220 A HN 0.995 nan 8.150 nan 0.000 0.457 221 L N 1.435 122.748 121.223 0.150 0.000 2.257 221 L HA 0.472 4.812 4.340 0.000 0.000 0.290 221 L C 0.148 177.065 176.870 0.078 0.000 1.044 221 L CA 0.145 55.093 54.840 0.180 0.000 0.810 221 L CB 0.814 42.969 42.059 0.159 0.000 1.193 221 L HN 0.785 nan 8.230 nan 0.000 0.425 222 E N 4.794 125.026 120.200 0.054 0.000 2.191 222 E HA 0.575 4.925 4.350 0.000 0.000 0.278 222 E C 0.150 176.731 176.600 -0.031 0.000 0.972 222 E CA -0.202 56.207 56.400 0.015 0.000 0.804 222 E CB 1.196 30.908 29.700 0.020 0.000 1.110 222 E HN 0.936 nan 8.360 nan 0.000 0.394 223 A N 5.372 128.135 122.820 -0.094 0.000 2.312 223 A HA -0.131 4.189 4.320 0.000 0.000 0.286 223 A C -1.682 175.831 177.584 -0.118 0.000 1.425 223 A CA 0.529 52.468 52.037 -0.163 0.000 0.748 223 A CB -1.329 17.601 19.000 -0.115 0.000 1.126 223 A HN 0.725 nan 8.150 nan 0.000 0.368 224 P HA -0.064 nan 4.420 nan 0.000 0.215 224 P C 0.711 177.968 177.300 -0.073 0.000 1.157 224 P CA 1.580 64.638 63.100 -0.069 0.000 0.863 224 P CB -0.034 31.634 31.700 -0.053 0.000 0.787 225 C N -1.449 117.782 119.300 -0.115 0.000 2.719 225 C HA 0.697 5.157 4.460 0.000 0.000 0.327 225 C C 2.107 177.034 174.990 -0.105 0.000 1.238 225 C CA -0.045 58.921 59.018 -0.087 0.000 1.727 225 C CB 1.025 28.722 27.740 -0.071 0.000 2.256 225 C HN 0.206 nan 8.230 nan 0.000 0.489 226 A N 0.640 123.428 122.820 -0.053 0.000 2.014 226 A HA 0.144 4.464 4.320 0.000 0.000 0.218 226 A C 1.061 178.629 177.584 -0.026 0.000 1.163 226 A CA 1.839 53.855 52.037 -0.035 0.000 0.652 226 A CB -0.520 18.480 19.000 -0.001 0.000 0.808 226 A HN 1.008 nan 8.150 nan 0.000 0.449 227 T N -6.877 107.670 114.554 -0.012 0.000 2.930 227 T HA 0.340 4.690 4.350 0.000 0.000 0.290 227 T C 0.675 175.418 174.700 0.072 0.000 1.052 227 T CA -0.649 61.483 62.100 0.053 0.000 1.017 227 T CB 1.002 69.916 68.868 0.078 0.000 1.137 227 T HN 0.331 nan 8.240 nan 0.000 0.511 228 W N 1.512 122.810 121.300 -0.004 0.000 2.358 228 W HA -0.110 4.550 4.660 0.000 0.000 0.303 228 W C 2.296 178.847 176.519 0.053 0.000 1.208 228 W CA 1.390 58.763 57.345 0.047 0.000 1.274 228 W CB -0.154 29.352 29.460 0.076 0.000 1.138 228 W HN 0.853 nan 8.180 nan 0.000 0.515 229 R N 0.721 121.399 120.500 0.298 0.000 2.083 229 R HA -0.201 4.139 4.340 0.000 0.000 0.237 229 R C 2.107 178.467 176.300 0.099 0.000 1.137 229 R CA 2.110 58.325 56.100 0.193 0.000 0.951 229 R CB -0.511 29.871 30.300 0.135 0.000 0.851 229 R HN 0.213 nan 8.270 nan 0.000 0.434 230 E N -0.384 119.851 120.200 0.057 0.000 2.077 230 E HA -0.210 4.140 4.350 0.000 0.000 0.193 230 E C 2.178 178.766 176.600 -0.019 0.000 0.989 230 E CA 1.544 57.953 56.400 0.015 0.000 0.800 230 E CB -0.118 29.581 29.700 -0.001 0.000 0.746 230 E HN 0.428 nan 8.360 nan 0.000 0.452 231 C N 0.828 120.084 119.300 -0.072 0.000 2.425 231 C HA -0.111 4.349 4.460 0.000 0.000 0.277 231 C C 2.486 177.447 174.990 -0.048 0.000 1.280 231 C CA 0.124 59.071 59.018 -0.119 0.000 1.744 231 C CB -0.676 26.881 27.740 -0.305 0.000 1.989 231 C HN 0.424 nan 8.230 nan 0.000 0.491 232 I N 0.702 121.262 120.570 -0.018 0.000 2.252 232 I HA -0.122 4.048 4.170 0.000 0.000 0.245 232 I C 2.712 178.851 176.117 0.036 0.000 1.102 232 I CA 1.519 62.839 61.300 0.033 0.000 1.385 232 I CB -1.632 36.438 38.000 0.117 0.000 1.064 232 I HN 0.310 nan 8.210 nan 0.000 0.414 233 S N 1.052 116.774 115.700 0.037 0.000 2.359 233 S HA -0.194 4.276 4.470 0.000 0.000 0.224 233 S C 2.053 176.663 174.600 0.017 0.000 1.035 233 S CA 1.448 59.666 58.200 0.030 0.000 1.018 233 S CB -0.362 62.856 63.200 0.030 0.000 0.876 233 S HN 0.345 nan 8.310 nan 0.000 0.448 234 L N 2.159 123.386 121.223 0.007 0.000 2.017 234 L HA 0.054 4.394 4.340 0.000 0.000 0.208 234 L C 2.370 179.242 176.870 0.003 0.000 1.073 234 L CA 2.262 57.103 54.840 0.001 0.000 0.745 234 L CB -1.004 41.049 42.059 -0.010 0.000 0.894 234 L HN 0.306 nan 8.230 nan 0.000 0.432 235 R N 0.187 120.689 120.500 0.003 0.000 2.119 235 R HA -0.198 4.142 4.340 0.000 0.000 0.246 235 R C 2.287 178.591 176.300 0.008 0.000 1.146 235 R CA 1.942 58.044 56.100 0.004 0.000 0.962 235 R CB -0.456 29.848 30.300 0.007 0.000 0.863 235 R HN 0.410 nan 8.270 nan 0.000 0.442 236 R N -0.241 120.268 120.500 0.014 0.000 2.285 236 R HA 0.003 4.343 4.340 0.000 0.000 0.213 236 R C 1.202 177.509 176.300 0.011 0.000 1.068 236 R CA 1.398 57.508 56.100 0.016 0.000 1.004 236 R CB 0.054 30.367 30.300 0.022 0.000 0.873 236 R HN 0.206 nan 8.270 nan 0.000 0.467 237 K N -0.504 119.901 120.400 0.009 0.000 2.438 237 K HA 0.115 4.435 4.320 0.000 0.000 0.205 237 K C -0.044 176.557 176.600 0.002 0.000 1.033 237 K CA 0.035 56.326 56.287 0.007 0.000 1.089 237 K CB 1.478 33.983 32.500 0.009 0.000 0.857 237 K HN -0.091 nan 8.250 nan 0.000 0.522 238 T N 0.398 114.951 114.554 -0.002 0.000 2.868 238 T HA 0.112 4.462 4.350 0.000 0.000 0.306 238 T C -1.235 173.454 174.700 -0.019 0.000 1.224 238 T CA -0.728 61.366 62.100 -0.011 0.000 1.012 238 T CB 1.555 70.416 68.868 -0.012 0.000 1.221 238 T HN 0.173 nan 8.240 nan 0.000 0.499 239 D N 2.152 122.533 120.400 -0.031 0.000 2.440 239 D HA 0.160 4.800 4.640 0.000 0.000 0.216 239 D C 0.502 176.762 176.300 -0.067 0.000 1.150 239 D CA -0.333 53.645 54.000 -0.037 0.000 0.832 239 D CB -0.178 40.604 40.800 -0.031 0.000 0.992 239 D HN 0.394 nan 8.370 nan 0.000 0.502 240 I N 1.521 122.040 120.570 -0.086 0.000 2.575 240 I HA 0.242 4.412 4.170 0.000 0.000 0.285 240 I C -2.362 173.692 176.117 -0.105 0.000 1.085 240 I CA -2.158 59.053 61.300 -0.147 0.000 1.403 240 I CB 0.773 38.669 38.000 -0.172 0.000 1.409 240 I HN -0.253 nan 8.210 nan 0.000 0.557 241 P HA 0.261 nan 4.420 nan 0.000 0.271 241 P C -1.022 176.259 177.300 -0.032 0.000 1.216 241 P CA 0.273 63.340 63.100 -0.055 0.000 0.771 241 P CB 0.345 32.027 31.700 -0.031 0.000 0.864 242 I N 3.994 124.554 120.570 -0.017 0.000 2.433 242 I HA 0.384 4.554 4.170 0.000 0.000 0.292 242 I C -0.287 175.842 176.117 0.019 0.000 1.001 242 I CA -0.769 60.539 61.300 0.013 0.000 1.119 242 I CB 1.523 39.539 38.000 0.028 0.000 1.289 242 I HN 0.061 nan 8.210 nan 0.000 0.438 243 I N 6.110 126.715 120.570 0.058 0.000 2.406 243 I HA 0.295 4.465 4.170 0.000 0.000 0.290 243 I C -0.689 175.507 176.117 0.132 0.000 0.999 243 I CA -0.732 60.606 61.300 0.064 0.000 1.124 243 I CB 1.412 39.454 38.000 0.069 0.000 1.289 243 I HN 0.346 nan 8.210 nan 0.000 0.441 244 Y N 4.553 124.761 120.300 -0.153 0.000 2.313 244 Y HA 0.212 4.762 4.550 0.000 0.000 0.332 244 Y C 0.856 176.698 175.900 -0.097 0.000 1.071 244 Y CA -0.002 58.006 58.100 -0.153 0.000 1.169 244 Y CB 1.095 39.435 38.460 -0.200 0.000 1.192 244 Y HN 0.564 nan 8.280 nan 0.000 0.487 245 D N 0.887 121.268 120.400 -0.032 0.000 3.074 245 D HA -0.004 4.636 4.640 0.000 0.000 0.227 245 D C 1.325 177.570 176.300 -0.091 0.000 1.553 245 D CA 0.545 54.519 54.000 -0.043 0.000 1.347 245 D CB 0.161 40.927 40.800 -0.056 0.000 1.021 245 D HN 0.473 nan 8.370 nan 0.000 0.260 246 E N 0.435 120.538 120.200 -0.162 0.000 2.147 246 E HA -0.090 4.260 4.350 0.000 0.000 0.199 246 E C 2.002 178.542 176.600 -0.101 0.000 1.005 246 E CA 0.888 57.168 56.400 -0.201 0.000 0.810 246 E CB -0.257 29.325 29.700 -0.197 0.000 0.736 246 E HN 0.371 nan 8.360 nan 0.000 0.460 247 L N -0.393 120.773 121.223 -0.095 0.000 2.492 247 L HA 0.155 4.495 4.340 0.000 0.000 0.223 247 L C 0.655 177.686 176.870 0.268 0.000 1.132 247 L CA -0.019 54.861 54.840 0.066 0.000 0.850 247 L CB -0.119 41.862 42.059 -0.130 0.000 0.966 247 L HN -0.031 nan 8.230 nan 0.000 0.454 248 A N 0.345 123.274 122.820 0.183 0.000 2.415 248 A HA 0.422 4.742 4.320 0.000 0.000 0.309 248 A C 0.845 178.498 177.584 0.115 0.000 1.356 248 A CA -0.072 52.086 52.037 0.201 0.000 0.998 248 A CB -0.097 18.992 19.000 0.149 0.000 1.145 248 A HN 0.341 nan 8.150 nan 0.000 0.545 249 T N 0.811 115.443 114.554 0.129 0.000 2.947 249 T HA 0.204 4.554 4.350 0.000 0.000 0.180 249 T C 0.756 175.496 174.700 0.067 0.000 0.750 249 T CA 0.389 62.532 62.100 0.072 0.000 1.687 249 T CB -0.706 68.199 68.868 0.061 0.000 2.488 249 T HN 0.612 nan 8.240 nan 0.000 0.417 250 N N 1.827 120.564 118.700 0.062 0.000 2.418 250 N HA 0.173 4.913 4.740 0.000 0.000 0.283 250 N C 1.105 176.653 175.510 0.064 0.000 1.267 250 N CA -0.359 52.724 53.050 0.055 0.000 0.975 250 N CB 0.191 38.703 38.487 0.042 0.000 1.167 250 N HN 0.662 nan 8.380 nan 0.000 0.581 251 E N -0.341 119.892 120.200 0.055 0.000 2.204 251 E HA -0.201 4.149 4.350 0.000 0.000 0.195 251 E C 1.211 177.842 176.600 0.051 0.000 0.990 251 E CA 1.232 57.666 56.400 0.056 0.000 0.821 251 E CB -0.521 29.208 29.700 0.047 0.000 0.750 251 E HN 0.582 nan 8.360 nan 0.000 0.477 252 M N 2.037 121.658 119.600 0.036 0.000 2.159 252 M HA -0.121 4.359 4.480 0.000 0.000 0.263 252 M C 2.499 178.811 176.300 0.019 0.000 1.063 252 M CA 2.005 57.314 55.300 0.015 0.000 1.110 252 M CB -0.498 32.099 32.600 -0.006 0.000 1.374 252 M HN 0.269 nan 8.290 nan 0.000 0.411 253 S N 0.081 115.812 115.700 0.053 0.000 2.406 253 S HA -0.053 4.417 4.470 0.000 0.000 0.228 253 S C 1.916 176.646 174.600 0.217 0.000 1.020 253 S CA 0.732 58.999 58.200 0.112 0.000 0.965 253 S CB -0.574 62.746 63.200 0.200 0.000 0.798 253 S HN 0.338 nan 8.310 nan 0.000 0.488 254 I N 1.972 122.640 120.570 0.162 0.000 2.252 254 I HA -0.036 4.134 4.170 0.000 0.000 0.245 254 I C 2.495 178.708 176.117 0.160 0.000 1.102 254 I CA 0.592 61.994 61.300 0.171 0.000 1.385 254 I CB -1.652 36.429 38.000 0.135 0.000 1.064 254 I HN 0.217 nan 8.210 nan 0.000 0.414 255 V N 1.167 121.143 119.914 0.102 0.000 2.490 255 V HA -0.241 3.879 4.120 0.000 0.000 0.250 255 V C 2.568 178.714 176.094 0.088 0.000 1.061 255 V CA 1.577 63.920 62.300 0.071 0.000 1.064 255 V CB -0.706 31.136 31.823 0.032 0.000 0.670 255 V HN 0.307 nan 8.190 nan 0.000 0.461 256 K N 0.633 121.091 120.400 0.098 0.000 2.097 256 K HA -0.029 4.291 4.320 0.000 0.000 0.205 256 K C 1.778 178.571 176.600 0.323 0.000 1.050 256 K CA 1.395 57.741 56.287 0.097 0.000 0.938 256 K CB -0.439 31.967 32.500 -0.156 0.000 0.718 256 K HN 0.445 nan 8.250 nan 0.000 0.442 257 I N 0.264 121.061 120.570 0.379 0.000 2.179 257 I HA -0.300 3.870 4.170 0.000 0.000 0.242 257 I C 2.059 178.289 176.117 0.188 0.000 1.088 257 I CA 1.151 62.574 61.300 0.205 0.000 1.357 257 I CB -0.250 37.714 38.000 -0.060 0.000 1.051 257 I HN 0.108 nan 8.210 nan 0.000 0.409 258 L N 0.498 121.850 121.223 0.215 0.000 2.017 258 L HA -0.189 4.151 4.340 0.000 0.000 0.208 258 L C 2.863 179.791 176.870 0.097 0.000 1.073 258 L CA 1.366 56.292 54.840 0.144 0.000 0.745 258 L CB -0.672 41.404 42.059 0.028 0.000 0.894 258 L HN 0.230 nan 8.230 nan 0.000 0.432 259 A N -0.385 122.492 122.820 0.094 0.000 1.940 259 A HA -0.226 4.094 4.320 0.000 0.000 0.219 259 A C 1.654 179.295 177.584 0.095 0.000 1.176 259 A CA 2.091 54.171 52.037 0.072 0.000 0.631 259 A CB -0.408 18.624 19.000 0.055 0.000 0.814 259 A HN 0.394 nan 8.150 nan 0.000 0.446 260 D N -1.140 119.349 120.400 0.149 0.000 2.349 260 D HA 0.127 4.767 4.640 0.000 0.000 0.214 260 D C 0.058 176.423 176.300 0.108 0.000 1.063 260 D CA 0.670 54.767 54.000 0.161 0.000 0.847 260 D CB -0.059 40.922 40.800 0.301 0.000 0.933 260 D HN 0.433 nan 8.370 nan 0.000 0.513 261 D N 0.000 120.457 120.400 0.095 0.000 2.686 261 D HA -0.252 4.388 4.640 0.000 0.000 0.235 261 D C 1.030 177.344 176.300 0.024 0.000 1.160 261 D CA 0.691 54.737 54.000 0.078 0.000 0.645 261 D CB -0.883 39.954 40.800 0.061 0.000 1.039 261 D HN 0.224 nan 8.370 nan 0.000 0.423 262 A N -0.583 122.210 122.820 -0.045 0.000 2.021 262 A HA 0.545 4.865 4.320 0.000 0.000 0.216 262 A C 1.255 178.668 177.584 -0.285 0.000 1.163 262 A CA 1.532 53.457 52.037 -0.186 0.000 0.676 262 A CB 0.300 19.082 19.000 -0.364 0.000 0.818 262 A HN 0.957 nan 8.150 nan 0.000 0.453 263 A N -1.559 121.040 122.820 -0.368 0.000 2.568 263 A HA 0.679 4.999 4.320 0.000 0.000 0.291 263 A C -0.276 177.050 177.584 -0.430 0.000 1.159 263 A CA -0.264 51.540 52.037 -0.388 0.000 0.679 263 A CB 0.342 19.000 19.000 -0.570 0.000 1.285 263 A HN -0.069 nan 8.150 nan 0.000 0.428 264 E N -0.761 119.230 120.200 -0.347 0.000 2.489 264 E HA 0.440 4.790 4.350 0.000 0.000 0.204 264 E C 0.536 176.942 176.600 -0.323 0.000 1.006 264 E CA 1.041 57.300 56.400 -0.235 0.000 0.936 264 E CB 1.193 30.861 29.700 -0.052 0.000 1.002 264 E HN 1.151 nan 8.360 nan 0.000 0.488 265 G N 0.116 108.635 108.800 -0.468 0.000 2.342 265 G HA2 0.480 4.440 3.960 0.000 0.000 0.297 265 G HA3 0.480 4.440 3.960 0.000 0.000 0.297 265 G C -1.526 173.249 174.900 -0.208 0.000 1.313 265 G CA -0.509 44.419 45.100 -0.287 0.000 0.830 265 G HN 0.110 nan 8.290 nan 0.000 0.506 266 I N -2.658 117.869 120.570 -0.072 0.000 3.074 266 I HA 0.761 4.931 4.170 0.000 0.000 0.310 266 I C -1.826 174.303 176.117 0.020 0.000 1.153 266 I CA -1.045 60.249 61.300 -0.010 0.000 0.993 266 I CB 2.843 40.851 38.000 0.013 0.000 1.237 266 I HN 0.364 nan 8.210 nan 0.000 0.443 267 D N 4.476 124.894 120.400 0.030 0.000 2.454 267 D HA 0.305 4.945 4.640 0.000 0.000 0.225 267 D C -1.096 175.214 176.300 0.018 0.000 1.081 267 D CA -0.178 53.837 54.000 0.024 0.000 0.864 267 D CB 1.370 42.181 40.800 0.018 0.000 1.040 267 D HN 0.663 nan 8.370 nan 0.000 0.517 268 L N 4.186 125.419 121.223 0.017 0.000 2.295 268 L HA 0.276 4.616 4.340 0.000 0.000 0.288 268 L C -0.084 176.792 176.870 0.010 0.000 1.079 268 L CA -0.401 54.448 54.840 0.016 0.000 0.830 268 L CB 0.111 42.179 42.059 0.015 0.000 1.200 268 L HN 0.088 nan 8.230 nan 0.000 0.438 269 K N 5.427 125.832 120.400 0.008 0.000 2.234 269 K HA 0.224 4.544 4.320 0.000 0.000 0.277 269 K C 0.926 177.536 176.600 0.016 0.000 1.038 269 K CA -0.830 55.464 56.287 0.011 0.000 0.888 269 K CB 1.787 34.290 32.500 0.006 0.000 1.091 269 K HN 0.537 nan 8.250 nan 0.000 0.467 270 I N 1.670 122.251 120.570 0.017 0.000 2.113 270 I HA -0.352 3.818 4.170 0.000 0.000 0.242 270 I C 2.214 178.351 176.117 0.033 0.000 1.064 270 I CA 1.978 63.289 61.300 0.018 0.000 1.320 270 I CB -1.456 36.554 38.000 0.015 0.000 1.028 270 I HN 0.635 nan 8.210 nan 0.000 0.406 271 S N 0.004 115.730 115.700 0.043 0.000 2.522 271 S HA -0.134 4.336 4.470 0.000 0.000 0.227 271 S C 1.895 176.523 174.600 0.047 0.000 0.986 271 S CA 0.750 58.983 58.200 0.054 0.000 0.929 271 S CB -0.224 63.017 63.200 0.068 0.000 0.769 271 S HN 0.527 nan 8.310 nan 0.000 0.529 272 K N 1.148 121.566 120.400 0.030 0.000 2.262 272 K HA 0.338 4.658 4.320 0.000 0.000 0.200 272 K C 2.118 178.731 176.600 0.023 0.000 1.049 272 K CA 0.707 57.001 56.287 0.012 0.000 0.979 272 K CB -0.390 32.094 32.500 -0.026 0.000 0.773 272 K HN 0.354 nan 8.250 nan 0.000 0.474 273 A N 0.368 123.205 122.820 0.029 0.000 1.929 273 A HA 0.161 4.481 4.320 0.000 0.000 0.216 273 A C 1.595 179.206 177.584 0.045 0.000 1.176 273 A CA 1.335 53.394 52.037 0.037 0.000 0.628 273 A CB -0.431 18.588 19.000 0.031 0.000 0.816 273 A HN 0.553 nan 8.150 nan 0.000 0.444 274 G N -3.566 105.263 108.800 0.049 0.000 2.183 274 G HA2 0.427 4.387 3.960 0.000 0.000 0.168 274 G HA3 0.427 4.387 3.960 0.000 0.000 0.168 274 G C 1.053 175.996 174.900 0.072 0.000 1.008 274 G CA 0.350 45.486 45.100 0.061 0.000 0.677 274 G HN 2.305 nan 8.290 nan 0.000 0.498 275 G N -1.466 107.371 108.800 0.062 0.000 2.331 275 G HA2 0.215 4.175 3.960 0.000 0.000 0.402 275 G HA3 0.215 4.175 3.960 0.000 0.000 0.402 275 G C 0.584 175.501 174.900 0.028 0.000 1.275 275 G CA -0.114 45.029 45.100 0.071 0.000 1.003 275 G HN 0.890 nan 8.290 nan 0.000 0.500 276 L N 0.217 121.432 121.223 -0.014 0.000 2.179 276 L HA 0.033 4.373 4.340 0.000 0.000 0.208 276 L C 3.199 180.002 176.870 -0.112 0.000 1.096 276 L CA 1.992 56.694 54.840 -0.230 0.000 0.779 276 L CB -0.645 40.997 42.059 -0.695 0.000 0.922 276 L HN 0.733 nan 8.230 nan 0.000 0.443 277 T N -0.553 114.133 114.554 0.221 0.000 2.674 277 T HA -0.171 4.179 4.350 0.000 0.000 0.265 277 T C 2.019 176.814 174.700 0.158 0.000 1.039 277 T CA 1.195 63.503 62.100 0.347 0.000 1.150 277 T CB -0.163 68.934 68.868 0.381 0.000 0.864 277 T HN 0.261 nan 8.240 nan 0.000 0.427 278 R N 0.492 121.060 120.500 0.114 0.000 2.148 278 R HA -0.001 4.339 4.340 0.000 0.000 0.227 278 R C 2.834 179.163 176.300 0.048 0.000 1.103 278 R CA 1.042 57.187 56.100 0.075 0.000 0.983 278 R CB -0.608 29.732 30.300 0.067 0.000 0.874 278 R HN 0.450 nan 8.270 nan 0.000 0.451 279 G N 0.961 109.773 108.800 0.021 0.000 2.418 279 G HA2 -0.292 3.668 3.960 0.000 0.000 0.217 279 G HA3 -0.292 3.668 3.960 0.000 0.000 0.217 279 G C 1.450 176.342 174.900 -0.012 0.000 1.158 279 G CA 0.396 45.491 45.100 -0.009 0.000 0.771 279 G HN 0.248 nan 8.290 nan 0.000 0.545 280 R N 0.331 120.823 120.500 -0.014 0.000 2.075 280 R HA 0.010 4.350 4.340 0.000 0.000 0.232 280 R C 2.755 179.077 176.300 0.036 0.000 1.126 280 R CA 0.982 57.084 56.100 0.004 0.000 0.963 280 R CB -0.224 30.099 30.300 0.038 0.000 0.858 280 R HN 0.284 nan 8.270 nan 0.000 0.435 281 R N 0.139 120.671 120.500 0.054 0.000 2.073 281 R HA -0.153 4.187 4.340 0.000 0.000 0.234 281 R C 2.480 178.805 176.300 0.042 0.000 1.134 281 R CA 2.006 58.137 56.100 0.052 0.000 0.952 281 R CB -0.262 30.072 30.300 0.058 0.000 0.850 281 R HN 0.416 nan 8.270 nan 0.000 0.433 282 Q N -0.073 119.753 119.800 0.042 0.000 2.119 282 Q HA -0.123 4.217 4.340 0.000 0.000 0.201 282 Q C 2.228 178.255 176.000 0.044 0.000 0.972 282 Q CA 0.979 56.811 55.803 0.049 0.000 0.847 282 Q CB -0.107 28.662 28.738 0.052 0.000 0.903 282 Q HN 0.266 nan 8.270 nan 0.000 0.433 283 R N 0.955 121.472 120.500 0.027 0.000 2.083 283 R HA -0.188 4.152 4.340 0.000 0.000 0.237 283 R C 1.175 177.486 176.300 0.019 0.000 1.137 283 R CA 1.911 58.023 56.100 0.019 0.000 0.951 283 R CB -0.041 30.259 30.300 0.000 0.000 0.851 283 R HN 0.205 nan 8.270 nan 0.000 0.434 284 D N 0.481 120.892 120.400 0.018 0.000 2.144 284 D HA -0.124 4.516 4.640 0.000 0.000 0.200 284 D C 1.980 178.281 176.300 0.001 0.000 0.978 284 D CA 1.172 55.179 54.000 0.011 0.000 0.833 284 D CB -0.157 40.653 40.800 0.018 0.000 0.961 284 D HN 0.341 nan 8.370 nan 0.000 0.470 285 I N 0.408 120.984 120.570 0.009 0.000 2.179 285 I HA -0.298 3.872 4.170 0.000 0.000 0.242 285 I C 2.420 178.516 176.117 -0.034 0.000 1.088 285 I CA 0.751 62.047 61.300 -0.007 0.000 1.357 285 I CB -0.183 37.830 38.000 0.022 0.000 1.051 285 I HN 0.077 nan 8.210 nan 0.000 0.409 286 C N 0.579 119.891 119.300 0.021 0.000 2.432 286 C HA -0.130 4.330 4.460 0.000 0.000 0.277 286 C C 2.730 177.712 174.990 -0.013 0.000 1.249 286 C CA 0.554 59.602 59.018 0.050 0.000 1.725 286 C CB -0.982 26.844 27.740 0.143 0.000 2.028 286 C HN 0.448 nan 8.230 nan 0.000 0.477 287 L N 1.016 122.235 121.223 -0.005 0.000 2.131 287 L HA -0.148 4.192 4.340 0.000 0.000 0.210 287 L C 2.836 179.679 176.870 -0.045 0.000 1.092 287 L CA 1.517 56.347 54.840 -0.017 0.000 0.759 287 L CB -0.735 41.319 42.059 -0.009 0.000 0.903 287 L HN 0.352 nan 8.230 nan 0.000 0.435 288 A N -0.174 122.611 122.820 -0.059 0.000 1.969 288 A HA -0.047 4.273 4.320 0.000 0.000 0.218 288 A C 2.402 179.916 177.584 -0.118 0.000 1.169 288 A CA 1.570 53.564 52.037 -0.071 0.000 0.635 288 A CB -0.404 18.559 19.000 -0.062 0.000 0.810 288 A HN 0.397 nan 8.150 nan 0.000 0.445 289 A N -2.227 120.474 122.820 -0.199 0.000 2.095 289 A HA 0.429 4.749 4.320 0.000 0.000 0.212 289 A C 1.751 179.175 177.584 -0.266 0.000 1.162 289 A CA 1.270 53.109 52.037 -0.330 0.000 0.753 289 A CB -0.481 18.103 19.000 -0.693 0.000 0.840 289 A HN 1.833 nan 8.150 nan 0.000 0.468 290 G N -2.353 106.359 108.800 -0.147 0.000 2.134 290 G HA2 -0.196 3.764 3.960 0.000 0.000 0.209 290 G HA3 -0.196 3.764 3.960 0.000 0.000 0.209 290 G C -0.275 174.685 174.900 0.100 0.000 0.993 290 G CA -0.015 45.067 45.100 -0.031 0.000 0.669 290 G HN 0.273 nan 8.290 nan 0.000 0.519 291 Y N 1.982 122.269 120.300 -0.022 0.000 2.309 291 Y HA 0.575 5.125 4.550 0.000 0.000 0.327 291 Y C 1.323 177.206 175.900 -0.029 0.000 1.172 291 Y CA -1.173 56.913 58.100 -0.024 0.000 1.280 291 Y CB 1.290 39.734 38.460 -0.025 0.000 1.234 291 Y HN 0.425 nan 8.280 nan 0.000 0.512 292 S N 1.580 117.348 115.700 0.113 0.000 2.592 292 S HA 0.702 5.172 4.470 0.000 0.000 0.271 292 S C -0.693 173.914 174.600 0.012 0.000 1.326 292 S CA -0.668 57.540 58.200 0.014 0.000 1.024 292 S CB 1.210 64.381 63.200 -0.048 0.000 0.921 292 S HN 0.323 nan 8.310 nan 0.000 0.527 293 V N 1.553 121.456 119.914 -0.018 0.000 2.623 293 V HA 0.623 4.743 4.120 0.000 0.000 0.304 293 V C -0.184 175.894 176.094 -0.026 0.000 1.054 293 V CA -0.705 61.592 62.300 -0.006 0.000 0.882 293 V CB 1.737 33.564 31.823 0.008 0.000 1.002 293 V HN 1.014 nan 8.190 nan 0.000 0.424 294 S N 3.358 119.053 115.700 -0.007 0.000 2.501 294 S HA 0.791 5.261 4.470 0.000 0.000 0.301 294 S C -0.824 173.775 174.600 -0.001 0.000 1.096 294 S CA -0.459 57.737 58.200 -0.005 0.000 1.063 294 S CB 1.640 64.855 63.200 0.025 0.000 1.042 294 S HN 0.528 nan 8.310 nan 0.000 0.494 295 V N 5.451 125.362 119.914 -0.005 0.000 2.357 295 V HA 0.511 4.631 4.120 0.000 0.000 0.284 295 V C -0.007 176.094 176.094 0.012 0.000 1.018 295 V CA -0.446 61.851 62.300 -0.004 0.000 0.841 295 V CB 0.867 32.678 31.823 -0.021 0.000 0.991 295 V HN 0.949 nan 8.190 nan 0.000 0.437 296 Q N 2.543 122.353 119.800 0.017 0.000 3.177 296 Q HA 0.787 5.127 4.340 0.000 0.000 0.339 296 Q C -1.247 174.771 176.000 0.031 0.000 0.912 296 Q CA -0.965 54.856 55.803 0.029 0.000 0.818 296 Q CB 2.312 31.059 28.738 0.015 0.000 1.448 296 Q HN 0.651 nan 8.270 nan 0.000 0.489 297 E N -0.620 119.597 120.200 0.029 0.000 2.372 297 E HA 0.189 4.539 4.350 0.000 0.000 0.279 297 E C -0.214 176.399 176.600 0.022 0.000 0.946 297 E CA 0.017 56.436 56.400 0.032 0.000 0.769 297 E CB 1.531 31.258 29.700 0.045 0.000 1.230 297 E HN 0.627 nan 8.360 nan 0.000 0.442 298 T N -0.254 114.337 114.554 0.061 0.000 2.665 298 T HA -0.103 4.247 4.350 0.000 0.000 0.268 298 T C 1.146 175.840 174.700 -0.010 0.000 1.035 298 T CA 1.091 63.267 62.100 0.128 0.000 1.151 298 T CB -0.389 68.615 68.868 0.225 0.000 0.862 298 T HN 0.528 nan 8.240 nan 0.000 0.438 299 C N -0.941 118.338 119.300 -0.034 0.000 3.197 299 C HA 0.644 5.105 4.460 0.000 0.000 0.343 299 C C -0.543 174.408 174.990 -0.066 0.000 1.291 299 C CA 0.255 59.185 59.018 -0.147 0.000 1.191 299 C CB 1.066 28.602 27.740 -0.339 0.000 1.444 299 C HN 1.327 nan 8.230 nan 0.000 0.468 300 G N 1.973 110.732 108.800 -0.067 0.000 2.340 300 G HA2 0.575 4.535 3.960 0.000 0.000 0.300 300 G HA3 0.575 4.535 3.960 0.000 0.000 0.300 300 G C -0.634 174.274 174.900 0.014 0.000 1.488 300 G CA 0.527 45.630 45.100 0.004 0.000 0.878 300 G HN 2.016 nan 8.290 nan 0.000 0.618 301 S N -0.612 115.108 115.700 0.032 0.000 2.495 301 S HA 0.441 4.911 4.470 0.000 0.000 0.273 301 S C 1.023 175.630 174.600 0.012 0.000 1.156 301 S CA 0.796 59.007 58.200 0.017 0.000 1.032 301 S CB 0.693 63.905 63.200 0.021 0.000 1.160 301 S HN 0.514 nan 8.310 nan 0.000 0.489 302 D N 0.678 121.070 120.400 -0.014 0.000 2.178 302 D HA -0.007 4.633 4.640 0.000 0.000 0.201 302 D C 1.712 177.964 176.300 -0.081 0.000 0.980 302 D CA 1.280 55.258 54.000 -0.038 0.000 0.842 302 D CB -0.426 40.342 40.800 -0.055 0.000 0.948 302 D HN 0.437 nan 8.370 nan 0.000 0.472 303 I N 0.820 121.365 120.570 -0.041 0.000 2.252 303 I HA -0.205 3.965 4.170 0.000 0.000 0.245 303 I C 2.418 178.540 176.117 0.007 0.000 1.102 303 I CA 0.819 62.109 61.300 -0.016 0.000 1.385 303 I CB -0.258 37.772 38.000 0.050 0.000 1.064 303 I HN 0.011 nan 8.210 nan 0.000 0.414 304 A N 0.525 123.369 122.820 0.039 0.000 1.969 304 A HA -0.217 4.103 4.320 0.000 0.000 0.218 304 A C 2.182 179.800 177.584 0.057 0.000 1.169 304 A CA 1.148 53.219 52.037 0.055 0.000 0.635 304 A CB -0.800 18.241 19.000 0.067 0.000 0.810 304 A HN 0.431 nan 8.150 nan 0.000 0.445 305 F N 1.075 120.944 119.950 -0.135 0.000 2.234 305 F HA 0.029 4.556 4.527 0.000 0.000 0.299 305 F C 2.419 178.063 175.800 -0.260 0.000 1.087 305 F CA 0.544 58.439 58.000 -0.176 0.000 1.340 305 F CB -0.491 38.386 39.000 -0.204 0.000 1.031 305 F HN 0.247 nan 8.300 nan 0.000 0.500 306 A N 0.414 122.972 122.820 -0.436 0.000 1.902 306 A HA -0.078 4.242 4.320 0.000 0.000 0.217 306 A C 2.477 180.006 177.584 -0.091 0.000 1.181 306 A CA 1.906 53.648 52.037 -0.491 0.000 0.623 306 A CB -1.530 17.298 19.000 -0.286 0.000 0.818 306 A HN 0.443 nan 8.150 nan 0.000 0.443 307 A N -0.107 122.683 122.820 -0.049 0.000 1.902 307 A HA -0.078 4.242 4.320 0.000 0.000 0.217 307 A C 2.127 179.673 177.584 -0.064 0.000 1.181 307 A CA 1.487 53.519 52.037 -0.009 0.000 0.623 307 A CB -0.615 18.384 19.000 -0.002 0.000 0.818 307 A HN 0.504 nan 8.150 nan 0.000 0.443 308 I N -0.468 120.030 120.570 -0.119 0.000 2.127 308 I HA -0.248 3.922 4.170 0.000 0.000 0.241 308 I C 2.371 178.371 176.117 -0.196 0.000 1.075 308 I CA 1.417 62.639 61.300 -0.130 0.000 1.334 308 I CB -0.393 37.555 38.000 -0.087 0.000 1.040 308 I HN 0.164 nan 8.210 nan 0.000 0.405 309 V N 0.232 119.928 119.914 -0.364 0.000 2.343 309 V HA -0.295 3.825 4.120 0.000 0.000 0.247 309 V C 2.482 178.436 176.094 -0.233 0.000 1.051 309 V CA 1.817 63.913 62.300 -0.339 0.000 1.036 309 V CB -0.934 30.630 31.823 -0.431 0.000 0.654 309 V HN 0.428 nan 8.190 nan 0.000 0.451 310 H N -0.955 118.059 119.070 -0.093 0.000 2.357 310 H HA -0.100 4.456 4.556 0.000 0.000 0.301 310 H C 2.187 177.439 175.328 -0.126 0.000 1.082 310 H CA 1.966 57.963 56.048 -0.085 0.000 1.342 310 H CB -0.107 29.610 29.762 -0.074 0.000 1.389 310 H HN 0.322 nan 8.280 nan 0.000 0.511 311 L N 0.960 122.160 121.223 -0.038 0.000 2.056 311 L HA -0.032 4.308 4.340 0.000 0.000 0.207 311 L C 2.528 179.357 176.870 -0.068 0.000 1.078 311 L CA 1.795 56.582 54.840 -0.089 0.000 0.749 311 L CB -0.832 41.164 42.059 -0.106 0.000 0.901 311 L HN 0.143 nan 8.230 nan 0.000 0.433 312 A N -1.177 121.600 122.820 -0.071 0.000 2.019 312 A HA -0.237 4.083 4.320 0.000 0.000 0.219 312 A C 2.195 179.747 177.584 -0.053 0.000 1.164 312 A CA 1.460 53.461 52.037 -0.059 0.000 0.644 312 A CB -0.624 18.338 19.000 -0.063 0.000 0.805 312 A HN 0.556 nan 8.150 nan 0.000 0.449 313 Q N 0.157 119.919 119.800 -0.064 0.000 2.515 313 Q HA -0.053 4.287 4.340 0.000 0.000 0.212 313 Q C 1.441 177.420 176.000 -0.034 0.000 0.970 313 Q CA 1.610 57.381 55.803 -0.053 0.000 0.941 313 Q CB -0.555 28.139 28.738 -0.074 0.000 0.998 313 Q HN 0.711 nan 8.270 nan 0.000 0.518 314 T N -3.624 110.910 114.554 -0.034 0.000 3.085 314 T HA 0.357 4.707 4.350 0.000 0.000 0.264 314 T C 0.384 175.070 174.700 -0.024 0.000 1.019 314 T CA -0.328 61.757 62.100 -0.026 0.000 0.910 314 T CB 0.048 68.897 68.868 -0.030 0.000 1.059 314 T HN 0.091 nan 8.240 nan 0.000 0.542 315 I N 3.980 124.534 120.570 -0.027 0.000 2.328 315 I HA 0.357 4.527 4.170 0.000 0.000 0.287 315 I C -2.248 173.854 176.117 -0.023 0.000 1.012 315 I CA -2.879 58.406 61.300 -0.024 0.000 1.195 315 I CB 1.464 39.448 38.000 -0.027 0.000 1.350 315 I HN -0.035 nan 8.210 nan 0.000 0.464 316 P HA -0.083 nan 4.420 nan 0.000 0.264 316 P C 0.641 177.926 177.300 -0.026 0.000 1.183 316 P CA 0.301 63.388 63.100 -0.021 0.000 0.763 316 P CB 0.869 32.558 31.700 -0.018 0.000 0.807 317 E N 3.438 123.624 120.200 -0.024 0.000 2.136 317 E HA -0.299 4.051 4.350 0.000 0.000 0.202 317 E C 1.967 178.544 176.600 -0.038 0.000 1.019 317 E CA 1.389 57.774 56.400 -0.025 0.000 0.819 317 E CB -0.091 29.599 29.700 -0.018 0.000 0.739 317 E HN 0.352 nan 8.360 nan 0.000 0.458 318 R N -0.409 120.070 120.500 -0.034 0.000 2.159 318 R HA -0.092 4.248 4.340 0.000 0.000 0.237 318 R C 1.768 178.035 176.300 -0.056 0.000 1.131 318 R CA 1.672 57.748 56.100 -0.039 0.000 0.982 318 R CB 0.027 30.311 30.300 -0.025 0.000 0.868 318 R HN 0.090 nan 8.270 nan 0.000 0.453 319 S N -0.163 115.507 115.700 -0.050 0.000 2.511 319 S HA 0.087 4.557 4.470 0.000 0.000 0.214 319 S C 0.103 174.657 174.600 -0.076 0.000 0.997 319 S CA -0.521 57.648 58.200 -0.051 0.000 0.908 319 S CB 0.312 63.499 63.200 -0.022 0.000 0.803 319 S HN 0.145 nan 8.310 nan 0.000 0.504 320 L N 3.030 124.205 121.223 -0.080 0.000 2.397 320 L HA 0.366 4.706 4.340 0.000 0.000 0.271 320 L C 0.103 176.876 176.870 -0.162 0.000 1.148 320 L CA 0.335 55.121 54.840 -0.089 0.000 0.825 320 L CB 0.397 42.423 42.059 -0.056 0.000 1.117 320 L HN -0.129 nan 8.230 nan 0.000 0.456 321 R N 4.105 124.505 120.500 -0.166 0.000 2.835 321 R HA 0.349 4.689 4.340 0.000 0.000 0.290 321 R C -0.760 175.482 176.300 -0.095 0.000 1.410 321 R CA -0.311 55.632 56.100 -0.262 0.000 1.590 321 R CB -0.406 29.694 30.300 -0.333 0.000 1.288 321 R HN 0.916 nan 8.270 nan 0.000 0.637 322 C N -0.038 119.216 119.300 -0.076 0.000 0.168 322 C HA -0.227 4.233 4.460 0.000 0.000 0.017 322 C C 0.626 175.599 174.990 -0.028 0.000 0.171 322 C CA -0.509 58.478 59.018 -0.051 0.000 0.499 322 C CB -0.830 26.884 27.740 -0.042 0.000 3.212 322 C HN 0.810 nan 8.230 nan 0.000 1.118 323 I N -1.395 119.163 120.570 -0.020 0.000 3.002 323 I HA 0.896 5.066 4.170 0.000 0.000 0.310 323 I C -0.822 175.323 176.117 0.046 0.000 1.087 323 I CA -1.079 60.234 61.300 0.021 0.000 1.017 323 I CB 1.568 39.593 38.000 0.040 0.000 1.226 323 I HN 0.653 nan 8.210 nan 0.000 0.443 324 L N 2.455 123.729 121.223 0.085 0.000 2.287 324 L HA 0.410 4.750 4.340 0.000 0.000 0.287 324 L C 0.068 177.023 176.870 0.142 0.000 1.022 324 L CA 0.124 55.007 54.840 0.072 0.000 0.814 324 L CB 1.211 43.289 42.059 0.031 0.000 1.217 324 L HN 0.749 nan 8.230 nan 0.000 0.420 325 E N 4.256 124.471 120.200 0.025 0.000 1.802 325 E HA 0.045 4.395 4.350 0.000 0.000 0.265 325 E C 1.116 177.576 176.600 -0.234 0.000 1.168 325 E CA -0.144 56.091 56.400 -0.274 0.000 1.033 325 E CB 0.167 29.679 29.700 -0.314 0.000 1.095 325 E HN 0.995 nan 8.360 nan 0.000 0.436 326 C N 2.628 121.856 119.300 -0.120 0.000 2.409 326 C HA -0.060 4.400 4.460 0.000 0.000 0.284 326 C C 2.064 176.988 174.990 -0.109 0.000 1.354 326 C CA 0.037 59.013 59.018 -0.070 0.000 1.787 326 C CB -0.763 26.979 27.740 0.003 0.000 1.900 326 C HN 0.660 nan 8.230 nan 0.000 0.520 327 R N 1.250 121.607 120.500 -0.239 0.000 2.096 327 R HA -0.139 4.201 4.340 0.000 0.000 0.235 327 R C 1.824 178.066 176.300 -0.096 0.000 1.127 327 R CA 2.046 58.038 56.100 -0.180 0.000 0.968 327 R CB -0.655 29.467 30.300 -0.297 0.000 0.861 327 R HN 0.541 nan 8.270 nan 0.000 0.440 328 D N 0.376 120.712 120.400 -0.107 0.000 2.354 328 D HA -0.113 4.527 4.640 0.000 0.000 0.216 328 D C 1.492 177.827 176.300 0.058 0.000 0.970 328 D CA 0.912 54.901 54.000 -0.018 0.000 0.905 328 D CB 0.119 40.924 40.800 0.009 0.000 0.903 328 D HN 0.182 nan 8.370 nan 0.000 0.508 329 M N -0.431 119.221 119.600 0.087 0.000 2.558 329 M HA 0.057 4.537 4.480 0.000 0.000 0.255 329 M C 0.393 176.869 176.300 0.293 0.000 1.113 329 M CA 0.179 55.616 55.300 0.229 0.000 1.097 329 M CB 0.528 33.221 32.600 0.155 0.000 1.426 329 M HN -0.073 nan 8.290 nan 0.000 0.488 330 V N -4.231 115.780 119.914 0.162 0.000 3.126 330 V HA 0.555 4.675 4.120 0.000 0.000 0.314 330 V C 0.661 176.797 176.094 0.070 0.000 1.138 330 V CA -0.486 61.915 62.300 0.168 0.000 1.034 330 V CB 1.428 33.356 31.823 0.174 0.000 1.075 330 V HN 0.244 nan 8.190 nan 0.000 0.442 331 T N -1.848 112.741 114.554 0.059 0.000 3.023 331 T HA 0.312 4.662 4.350 0.000 0.000 0.253 331 T C 0.336 175.047 174.700 0.017 0.000 1.038 331 T CA 0.199 62.311 62.100 0.020 0.000 0.962 331 T CB 0.194 69.064 68.868 0.005 0.000 1.018 331 T HN 0.634 nan 8.240 nan 0.000 0.521 332 V N 1.921 121.853 119.914 0.030 0.000 2.435 332 V HA 0.450 4.570 4.120 0.000 0.000 0.290 332 V C -0.089 176.010 176.094 0.008 0.000 1.030 332 V CA -1.167 61.144 62.300 0.018 0.000 0.881 332 V CB 1.643 33.481 31.823 0.025 0.000 0.983 332 V HN 0.312 nan 8.190 nan 0.000 0.445 333 K N 2.306 122.702 120.400 -0.006 0.000 2.227 333 K HA 0.341 4.661 4.320 0.000 0.000 0.280 333 K C 0.978 177.557 176.600 -0.035 0.000 1.041 333 K CA 0.011 56.288 56.287 -0.018 0.000 0.905 333 K CB 1.201 33.692 32.500 -0.016 0.000 1.068 333 K HN 0.881 nan 8.250 nan 0.000 0.470 334 T N 0.076 114.601 114.554 -0.048 0.000 3.022 334 T HA 0.370 4.721 4.350 0.000 0.000 0.250 334 T C 0.313 174.926 174.700 -0.146 0.000 1.060 334 T CA -0.051 61.996 62.100 -0.088 0.000 1.013 334 T CB 0.434 69.260 68.868 -0.070 0.000 0.982 334 T HN 0.470 nan 8.240 nan 0.000 0.508 335 A N 0.401 123.155 122.820 -0.110 0.000 2.601 335 A HA 0.628 4.948 4.320 0.000 0.000 0.291 335 A C -2.029 175.529 177.584 -0.043 0.000 1.075 335 A CA -0.937 51.024 52.037 -0.126 0.000 0.671 335 A CB 1.072 19.970 19.000 -0.171 0.000 1.277 335 A HN 0.190 nan 8.150 nan 0.000 0.417 336 D N -0.378 120.010 120.400 -0.020 0.000 2.252 336 D HA 0.707 5.347 4.640 0.000 0.000 0.245 336 D C 0.020 176.398 176.300 0.130 0.000 1.009 336 D CA 0.480 54.509 54.000 0.049 0.000 0.870 336 D CB 2.150 42.963 40.800 0.022 0.000 1.251 336 D HN 1.168 nan 8.370 nan 0.000 0.460 337 G N -0.787 108.143 108.800 0.217 0.000 2.368 337 G HA2 0.456 4.416 3.960 0.000 0.000 0.293 337 G HA3 0.456 4.416 3.960 0.000 0.000 0.293 337 G C -1.521 173.512 174.900 0.222 0.000 1.467 337 G CA -0.602 44.679 45.100 0.302 0.000 0.804 337 G HN 0.423 nan 8.290 nan 0.000 0.535 338 A N 0.208 122.978 122.820 -0.084 0.000 2.915 338 A HA 0.663 4.983 4.320 0.000 0.000 0.292 338 A C -0.491 176.809 177.584 -0.473 0.000 1.632 338 A CA -0.153 51.767 52.037 -0.196 0.000 1.337 338 A CB -0.928 17.943 19.000 -0.215 0.000 1.111 338 A HN 0.751 nan 8.150 nan 0.000 0.569 339 F N 0.147 120.136 119.950 0.065 0.000 2.810 339 F HA 0.184 4.711 4.527 0.000 0.000 0.353 339 F C -0.263 175.631 175.800 0.157 0.000 1.227 339 F CA -0.922 57.150 58.000 0.119 0.000 1.210 339 F CB 0.478 39.607 39.000 0.215 0.000 1.039 339 F HN 0.338 nan 8.300 nan 0.000 0.509 340 D N 1.508 122.015 120.400 0.179 0.000 2.414 340 D HA 0.133 4.773 4.640 0.000 0.000 0.242 340 D C 0.391 176.769 176.300 0.129 0.000 1.129 340 D CA 0.386 54.466 54.000 0.134 0.000 0.885 340 D CB 1.020 41.864 40.800 0.073 0.000 1.198 340 D HN -0.092 nan 8.370 nan 0.000 0.437 341 I N 1.686 122.323 120.570 0.111 0.000 2.440 341 I HA 0.178 4.348 4.170 0.000 0.000 0.294 341 I C 0.219 176.382 176.117 0.076 0.000 0.995 341 I CA -0.362 60.994 61.300 0.094 0.000 1.306 341 I CB 0.656 38.692 38.000 0.059 0.000 1.407 341 I HN 0.242 nan 8.210 nan 0.000 0.501 342 Q N 4.508 124.362 119.800 0.090 0.000 2.414 342 Q HA 0.249 4.589 4.340 0.000 0.000 0.256 342 Q C -1.165 174.915 176.000 0.133 0.000 0.974 342 Q CA -0.572 55.286 55.803 0.091 0.000 0.723 342 Q CB 1.642 30.424 28.738 0.074 0.000 1.281 342 Q HN 0.530 nan 8.270 nan 0.000 0.470 343 D N 1.807 122.273 120.400 0.109 0.000 2.699 343 D HA -0.198 4.442 4.640 0.000 0.000 0.239 343 D C 0.700 177.065 176.300 0.109 0.000 1.136 343 D CA 1.622 55.703 54.000 0.135 0.000 0.668 343 D CB -0.968 39.930 40.800 0.164 0.000 1.060 343 D HN 1.146 nan 8.370 nan 0.000 0.429 344 G N -0.960 107.788 108.800 -0.087 0.000 2.143 344 G HA2 -0.301 3.659 3.960 0.000 0.000 0.248 344 G HA3 -0.301 3.659 3.960 0.000 0.000 0.248 344 G C 0.005 174.495 174.900 -0.683 0.000 0.991 344 G CA 0.371 45.148 45.100 -0.540 0.000 0.689 344 G HN 0.437 nan 8.290 nan 0.000 0.522 345 F N -0.157 119.713 119.950 -0.134 0.000 2.599 345 F HA 0.813 5.340 4.527 0.000 0.000 0.311 345 F C 0.328 176.113 175.800 -0.024 0.000 1.076 345 F CA -0.175 57.777 58.000 -0.081 0.000 0.937 345 F CB 2.232 41.195 39.000 -0.061 0.000 1.282 345 F HN 0.408 nan 8.300 nan 0.000 0.460 346 A N 0.587 123.528 122.820 0.201 0.000 2.532 346 A HA 0.945 5.265 4.320 0.000 0.000 0.290 346 A C -0.934 176.696 177.584 0.077 0.000 1.143 346 A CA -0.539 51.586 52.037 0.146 0.000 0.728 346 A CB 1.826 20.953 19.000 0.211 0.000 1.317 346 A HN 0.839 nan 8.150 nan 0.000 0.414 347 T N -2.094 112.462 114.554 0.003 0.000 2.923 347 T HA 0.732 5.082 4.350 0.000 0.000 0.311 347 T C -0.235 174.361 174.700 -0.174 0.000 1.183 347 T CA 0.036 62.094 62.100 -0.070 0.000 1.020 347 T CB 1.163 69.990 68.868 -0.068 0.000 1.165 347 T HN 2.069 nan 8.240 nan 0.000 0.482 348 A N 3.640 126.326 122.820 -0.222 0.000 2.440 348 A HA 0.659 4.979 4.320 0.000 0.000 0.251 348 A C -1.786 175.592 177.584 -0.343 0.000 1.089 348 A CA -1.180 50.624 52.037 -0.388 0.000 0.779 348 A CB -0.572 18.190 19.000 -0.397 0.000 1.022 348 A HN 0.798 nan 8.150 nan 0.000 0.492 349 P HA 0.131 nan 4.420 nan 0.000 0.274 349 P C 0.494 177.728 177.300 -0.110 0.000 1.260 349 P CA 0.272 63.175 63.100 -0.328 0.000 0.793 349 P CB 0.515 31.927 31.700 -0.480 0.000 1.048 350 T N -5.263 109.244 114.554 -0.078 0.000 3.092 350 T HA 0.112 4.463 4.350 0.000 0.000 0.258 350 T C 0.744 175.443 174.700 -0.003 0.000 1.031 350 T CA -0.185 61.900 62.100 -0.025 0.000 0.925 350 T CB -1.023 67.823 68.868 -0.036 0.000 1.036 350 T HN 0.529 nan 8.240 nan 0.000 0.544 351 T N 0.655 115.211 114.554 0.003 0.000 2.849 351 T HA 0.516 4.866 4.350 0.000 0.000 0.284 351 T C -2.884 171.837 174.700 0.036 0.000 1.004 351 T CA -1.854 60.257 62.100 0.019 0.000 1.021 351 T CB 0.666 69.548 68.868 0.023 0.000 1.013 351 T HN -0.077 nan 8.240 nan 0.000 0.527 352 P HA 0.380 nan 4.420 nan 0.000 0.270 352 P C 1.079 178.396 177.300 0.028 0.000 1.223 352 P CA 1.125 64.234 63.100 0.015 0.000 0.785 352 P CB -0.080 31.630 31.700 0.017 0.000 0.923 353 G N 0.705 109.504 108.800 -0.002 0.000 2.552 353 G HA2 -0.307 3.654 3.960 0.000 0.000 0.265 353 G HA3 -0.307 3.654 3.960 0.000 0.000 0.265 353 G C 0.762 175.629 174.900 -0.055 0.000 1.234 353 G CA 0.094 45.203 45.100 0.015 0.000 0.944 353 G HN 0.483 nan 8.290 nan 0.000 0.568 354 L N 1.654 122.899 121.223 0.037 0.000 2.291 354 L HA 0.290 4.630 4.340 0.000 0.000 0.214 354 L C 2.401 179.510 176.870 0.399 0.000 1.120 354 L CA 1.336 56.228 54.840 0.086 0.000 0.799 354 L CB -0.563 41.605 42.059 0.180 0.000 0.925 354 L HN 2.147 nan 8.230 nan 0.000 0.446 355 G N 1.275 110.241 108.800 0.277 0.000 2.149 355 G HA2 -0.251 3.709 3.960 0.000 0.000 0.235 355 G HA3 -0.251 3.709 3.960 0.000 0.000 0.235 355 G C 0.072 175.184 174.900 0.354 0.000 1.018 355 G CA 0.354 45.624 45.100 0.285 0.000 0.728 355 G HN 0.447 nan 8.290 nan 0.000 0.508 356 I N -3.701 117.028 120.570 0.264 0.000 2.785 356 I HA 0.953 5.123 4.170 0.000 0.000 0.302 356 I C -0.549 175.596 176.117 0.047 0.000 1.069 356 I CA -2.001 59.406 61.300 0.178 0.000 1.045 356 I CB 2.269 40.329 38.000 0.101 0.000 1.236 356 I HN -0.027 nan 8.210 nan 0.000 0.429 357 M N 5.571 125.153 119.600 -0.030 0.000 2.067 357 M HA 0.586 5.067 4.480 0.000 0.000 0.286 357 M C -2.738 173.416 176.300 -0.243 0.000 0.922 357 M CA -2.090 53.141 55.300 -0.114 0.000 0.937 357 M CB 1.694 34.272 32.600 -0.037 0.000 1.550 357 M HN 0.332 nan 8.290 nan 0.000 0.433 358 P HA 0.151 nan 4.420 nan 0.000 0.269 358 P C -1.018 176.044 177.300 -0.397 0.000 1.215 358 P CA -0.020 62.710 63.100 -0.616 0.000 0.780 358 P CB 0.465 31.355 31.700 -1.349 0.000 0.898 359 R N 2.556 122.873 120.500 -0.306 0.000 2.391 359 R HA 0.158 4.498 4.340 0.000 0.000 0.310 359 R C 0.750 176.920 176.300 -0.217 0.000 1.174 359 R CA -0.540 55.442 56.100 -0.197 0.000 1.118 359 R CB -0.142 30.080 30.300 -0.130 0.000 1.134 359 R HN 0.393 nan 8.270 nan 0.000 0.524 360 L N 2.258 123.357 121.223 -0.207 0.000 2.089 360 L HA -0.300 4.040 4.340 0.000 0.000 0.213 360 L C 2.224 179.023 176.870 -0.118 0.000 1.079 360 L CA 1.844 56.574 54.840 -0.182 0.000 0.758 360 L CB -0.570 41.436 42.059 -0.089 0.000 0.891 360 L HN 0.621 nan 8.230 nan 0.000 0.433 361 D N -0.814 119.539 120.400 -0.078 0.000 2.144 361 D HA -0.146 4.494 4.640 0.000 0.000 0.199 361 D C 2.005 178.280 176.300 -0.042 0.000 0.984 361 D CA 1.387 55.362 54.000 -0.042 0.000 0.834 361 D CB -0.538 40.244 40.800 -0.030 0.000 0.955 361 D HN 0.278 nan 8.370 nan 0.000 0.465 362 V N 1.101 120.974 119.914 -0.067 0.000 2.453 362 V HA -0.161 3.959 4.120 0.000 0.000 0.247 362 V C 2.779 178.844 176.094 -0.047 0.000 1.048 362 V CA 0.913 63.182 62.300 -0.052 0.000 1.049 362 V CB -0.483 31.302 31.823 -0.064 0.000 0.672 362 V HN 0.178 nan 8.190 nan 0.000 0.457 363 L N -0.131 121.025 121.223 -0.112 0.000 2.201 363 L HA 0.216 4.556 4.340 0.000 0.000 0.212 363 L C 1.533 178.423 176.870 0.033 0.000 1.105 363 L CA 0.929 55.697 54.840 -0.119 0.000 0.775 363 L CB -1.064 40.715 42.059 -0.466 0.000 0.913 363 L HN 0.557 nan 8.230 nan 0.000 0.440 364 G N 0.420 109.237 108.800 0.027 0.000 2.698 364 G HA2 -0.306 3.654 3.960 0.000 0.000 0.233 364 G HA3 -0.306 3.654 3.960 0.000 0.000 0.233 364 G C -0.343 174.700 174.900 0.239 0.000 1.352 364 G CA -0.210 44.957 45.100 0.111 0.000 0.879 364 G HN 0.233 nan 8.290 nan 0.000 0.567 365 E N 0.290 120.625 120.200 0.225 0.000 2.349 365 E HA 0.629 4.979 4.350 0.000 0.000 0.265 365 E C 0.928 177.697 176.600 0.280 0.000 1.064 365 E CA 0.531 57.089 56.400 0.263 0.000 0.886 365 E CB 0.867 30.645 29.700 0.129 0.000 1.036 365 E HN 1.456 nan 8.360 nan 0.000 0.413 366 A N 2.725 125.618 122.820 0.122 0.000 2.511 366 A HA 0.140 4.460 4.320 0.000 0.000 0.242 366 A C 1.149 178.628 177.584 -0.175 0.000 1.069 366 A CA 0.320 52.137 52.037 -0.367 0.000 0.763 366 A CB 0.018 18.646 19.000 -0.619 0.000 1.001 366 A HN 0.741 nan 8.150 nan 0.000 0.498 367 V N -0.641 119.171 119.914 -0.171 0.000 3.406 367 V HA 0.530 4.650 4.120 0.000 0.000 0.263 367 V C 0.747 176.756 176.094 -0.142 0.000 1.172 367 V CA 0.958 63.202 62.300 -0.092 0.000 1.140 367 V CB -1.420 30.385 31.823 -0.030 0.000 0.784 367 V HN 1.701 nan 8.190 nan 0.000 0.467 368 A N -0.795 121.884 122.820 -0.236 0.000 2.589 368 A HA 0.818 5.138 4.320 0.000 0.000 0.296 368 A C -0.652 176.638 177.584 -0.490 0.000 1.062 368 A CA -0.181 51.655 52.037 -0.335 0.000 0.686 368 A CB 1.710 20.574 19.000 -0.227 0.000 1.282 368 A HN 0.274 nan 8.150 nan 0.000 0.404 369 S N 0.004 115.281 115.700 -0.706 0.000 2.548 369 S HA 0.799 5.269 4.470 0.000 0.000 0.276 369 S C -1.498 172.606 174.600 -0.827 0.000 1.129 369 S CA -0.294 57.548 58.200 -0.598 0.000 0.931 369 S CB 0.939 63.945 63.200 -0.324 0.000 1.068 369 S HN 0.567 nan 8.310 nan 0.000 0.480 370 Y N 0.000 120.249 120.300 -0.085 0.000 2.660 370 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 370 Y CA 0.000 58.061 58.100 -0.065 0.000 1.940 370 Y CB 0.000 38.421 38.460 -0.065 0.000 1.050 370 Y HN 0.000 nan 8.280 nan 0.000 0.758