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 1mum_1_A DATA FIRST_RESID 3 DATA SEQUENCE LHSPGKAFRA ALTKENPLQI VGTINANHAL LAQRAGYQAI YLSGGGVAAG DATA SEQUENCE SLGLPDLGIS TLDDVLTDIR RITDVCSLPL LVDADIGFGS SAFNVARTVK DATA SEQUENCE SMIKAGAAGL HIEDQVGAKR CGHRPNKAIV SKEEMVDRIR AAVDAKTDPD DATA SEQUENCE FVIMARTDAL AVEGLDAAIE RAQAYVEAGA EMLFPEAITE LAMYRQFADA DATA SEQUENCE VQVPILANIT EFGATPLFTT DELRSAHVAM ALYPLSAFRA MNRAAEHVYN DATA SEQUENCE VLRQEGTQKS VIDTMQTRNE LYESINYYQY EEKLDNLFA 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 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.926 176.870 0.093 0.000 1.165 3 L CA 0.000 54.877 54.840 0.062 0.000 0.813 3 L CB 0.000 42.082 42.059 0.038 0.000 0.961 4 H N 1.229 120.312 119.070 0.022 0.000 2.525 4 H HA 0.522 5.078 4.556 -0.000 0.000 0.339 4 H C -0.607 174.747 175.328 0.042 0.000 1.109 4 H CA 0.242 56.309 56.048 0.032 0.000 1.352 4 H CB 1.683 31.463 29.762 0.030 0.000 1.461 4 H HN 0.439 nan 8.280 nan 0.000 0.533 5 S N 6.199 121.501 115.700 -0.664 0.000 2.733 5 S HA 0.265 4.735 4.470 -0.000 0.000 0.307 5 S C -1.914 172.328 174.600 -0.597 0.000 1.127 5 S CA -1.526 56.407 58.200 -0.444 0.000 1.097 5 S CB 0.958 64.063 63.200 -0.158 0.000 1.003 5 S HN 0.711 nan 8.310 nan 0.000 0.477 6 P HA -0.037 nan 4.420 nan 0.000 0.218 6 P C 1.585 178.912 177.300 0.045 0.000 1.148 6 P CA 1.359 64.420 63.100 -0.064 0.000 0.822 6 P CB -0.226 31.537 31.700 0.105 0.000 0.784 7 G N 0.922 109.753 108.800 0.051 0.000 2.440 7 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.218 7 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.218 7 G C 1.665 176.626 174.900 0.102 0.000 1.154 7 G CA 0.810 45.961 45.100 0.086 0.000 0.767 7 G HN 0.281 nan 8.290 nan 0.000 0.552 8 K N 0.651 121.073 120.400 0.037 0.000 2.063 8 K HA 0.014 4.334 4.320 -0.000 0.000 0.208 8 K C 2.917 179.558 176.600 0.069 0.000 1.048 8 K CA 1.050 57.361 56.287 0.039 0.000 0.928 8 K CB -0.248 32.254 32.500 0.002 0.000 0.713 8 K HN 0.273 nan 8.250 nan 0.000 0.442 9 A N 0.933 123.805 122.820 0.087 0.000 1.933 9 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 9 A C 1.976 179.650 177.584 0.151 0.000 1.175 9 A CA 1.115 53.237 52.037 0.142 0.000 0.628 9 A CB -0.591 18.550 19.000 0.234 0.000 0.814 9 A HN 0.330 nan 8.150 nan 0.000 0.444 10 F N 0.648 120.615 119.950 0.029 0.000 2.113 10 F HA -0.095 4.432 4.527 -0.000 0.000 0.297 10 F C 2.366 178.170 175.800 0.005 0.000 1.103 10 F CA 1.702 59.713 58.000 0.018 0.000 1.248 10 F CB -0.256 38.740 39.000 -0.008 0.000 0.999 10 F HN 0.114 nan 8.300 nan 0.000 0.475 11 R N 0.056 120.596 120.500 0.066 0.000 2.096 11 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 11 R C 2.392 178.645 176.300 -0.080 0.000 1.127 11 R CA 1.204 57.286 56.100 -0.030 0.000 0.968 11 R CB -0.801 29.526 30.300 0.044 0.000 0.861 11 R HN 0.372 nan 8.270 nan 0.000 0.440 12 A N 1.167 123.964 122.820 -0.038 0.000 1.930 12 A HA -0.025 4.295 4.320 -0.000 0.000 0.217 12 A C 2.358 179.897 177.584 -0.074 0.000 1.175 12 A CA 1.404 53.420 52.037 -0.036 0.000 0.627 12 A CB -0.539 18.464 19.000 0.005 0.000 0.815 12 A HN 0.370 nan 8.150 nan 0.000 0.443 13 A N -0.186 122.567 122.820 -0.112 0.000 1.933 13 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 13 A C 2.130 179.598 177.584 -0.192 0.000 1.175 13 A CA 1.418 53.373 52.037 -0.138 0.000 0.628 13 A CB -0.585 18.320 19.000 -0.158 0.000 0.814 13 A HN 0.466 nan 8.150 nan 0.000 0.444 14 L N -0.581 120.469 121.223 -0.288 0.000 2.131 14 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 14 L C 2.654 179.437 176.870 -0.145 0.000 1.092 14 L CA 1.751 56.439 54.840 -0.253 0.000 0.759 14 L CB -0.599 41.290 42.059 -0.283 0.000 0.903 14 L HN 0.391 nan 8.230 nan 0.000 0.435 15 T N -0.454 114.033 114.554 -0.113 0.000 2.857 15 T HA -0.135 4.215 4.350 -0.000 0.000 0.266 15 T C 1.611 176.272 174.700 -0.065 0.000 1.048 15 T CA 1.237 63.292 62.100 -0.075 0.000 1.139 15 T CB -0.039 68.796 68.868 -0.054 0.000 0.874 15 T HN 0.471 nan 8.240 nan 0.000 0.455 16 K N 1.257 121.618 120.400 -0.065 0.000 2.404 16 K HA 0.241 4.561 4.320 -0.000 0.000 0.194 16 K C 0.573 177.140 176.600 -0.054 0.000 1.023 16 K CA 0.208 56.464 56.287 -0.051 0.000 1.094 16 K CB 0.602 33.078 32.500 -0.040 0.000 0.841 16 K HN 0.231 nan 8.250 nan 0.000 0.523 17 E N 1.575 121.734 120.200 -0.068 0.000 2.409 17 E HA 0.143 4.493 4.350 -0.000 0.000 0.259 17 E C -1.211 175.348 176.600 -0.068 0.000 0.932 17 E CA -0.652 55.711 56.400 -0.061 0.000 0.809 17 E CB 0.882 30.549 29.700 -0.056 0.000 1.341 17 E HN 0.058 nan 8.360 nan 0.000 0.405 18 N N 3.182 121.847 118.700 -0.058 0.000 2.267 18 N HA 0.070 4.809 4.740 -0.000 0.000 0.226 18 N C -2.375 173.101 175.510 -0.057 0.000 1.314 18 N CA -0.823 52.190 53.050 -0.061 0.000 0.887 18 N CB 0.210 38.667 38.487 -0.051 0.000 1.120 18 N HN 0.360 nan 8.380 nan 0.000 0.440 19 P HA -0.219 nan 4.420 nan 0.000 0.017 19 P C -0.994 176.281 177.300 -0.042 0.000 0.503 19 P CA 0.370 63.434 63.100 -0.060 0.000 1.036 19 P CB -0.479 31.199 31.700 -0.036 0.000 1.902 20 L N 2.339 123.521 121.223 -0.069 0.000 2.433 20 L HA 0.071 4.410 4.340 -0.000 0.000 0.275 20 L C 0.611 177.489 176.870 0.012 0.000 1.128 20 L CA 0.554 55.363 54.840 -0.052 0.000 0.875 20 L CB 0.082 42.061 42.059 -0.133 0.000 1.171 20 L HN 0.168 nan 8.230 nan 0.000 0.463 21 Q N 6.044 125.918 119.800 0.122 0.000 2.296 21 Q HA 0.414 4.754 4.340 -0.000 0.000 0.262 21 Q C -0.949 175.232 176.000 0.301 0.000 0.981 21 Q CA 0.180 56.162 55.803 0.298 0.000 0.905 21 Q CB 1.327 30.346 28.738 0.468 0.000 1.186 21 Q HN 0.650 nan 8.270 nan 0.000 0.399 22 I N 3.298 123.986 120.570 0.198 0.000 2.439 22 I HA 0.275 4.445 4.170 -0.000 0.000 0.285 22 I C -0.287 175.887 176.117 0.095 0.000 1.021 22 I CA -1.051 60.330 61.300 0.134 0.000 1.091 22 I CB 1.541 39.585 38.000 0.073 0.000 1.242 22 I HN 0.307 nan 8.210 nan 0.000 0.439 23 V N 2.418 122.321 119.914 -0.019 0.000 2.532 23 V HA 0.812 4.932 4.120 -0.000 0.000 0.295 23 V C 0.603 176.733 176.094 0.060 0.000 1.041 23 V CA -0.525 61.741 62.300 -0.056 0.000 0.926 23 V CB 1.296 32.847 31.823 -0.454 0.000 0.992 23 V HN 0.771 nan 8.190 nan 0.000 0.457 24 G N 2.537 111.429 108.800 0.154 0.000 2.406 24 G HA2 0.505 4.465 3.960 -0.000 0.000 0.251 24 G HA3 0.505 4.465 3.960 -0.000 0.000 0.251 24 G C 0.162 175.146 174.900 0.140 0.000 1.271 24 G CA 0.299 45.549 45.100 0.250 0.000 0.859 24 G HN 1.385 nan 8.290 nan 0.000 0.540 25 T N 0.841 115.463 114.554 0.112 0.000 2.833 25 T HA 0.291 4.641 4.350 -0.000 0.000 0.297 25 T C 1.026 175.756 174.700 0.049 0.000 1.015 25 T CA -0.668 61.499 62.100 0.112 0.000 0.963 25 T CB 1.549 70.478 68.868 0.102 0.000 0.955 25 T HN 0.208 nan 8.240 nan 0.000 0.449 26 I N 2.675 123.276 120.570 0.050 0.000 2.493 26 I HA 0.052 4.222 4.170 -0.000 0.000 0.254 26 I C 0.358 176.413 176.117 -0.102 0.000 1.160 26 I CA 1.087 62.337 61.300 -0.083 0.000 1.445 26 I CB -0.349 37.606 38.000 -0.076 0.000 1.086 26 I HN 0.951 nan 8.210 nan 0.000 0.433 27 N N -1.999 116.652 118.700 -0.082 0.000 3.039 27 N HA 0.418 5.158 4.740 -0.000 0.000 0.257 27 N C 0.413 175.917 175.510 -0.010 0.000 1.497 27 N CA -0.154 52.852 53.050 -0.073 0.000 0.861 27 N CB 0.366 38.782 38.487 -0.119 0.000 1.479 27 N HN -0.177 nan 8.380 nan 0.000 0.547 28 A N 0.141 122.961 122.820 -0.001 0.000 1.917 28 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 28 A C 1.810 179.438 177.584 0.072 0.000 1.182 28 A CA 1.986 54.044 52.037 0.034 0.000 0.633 28 A CB -1.162 17.852 19.000 0.023 0.000 0.819 28 A HN 0.805 nan 8.150 nan 0.000 0.448 29 N N -0.704 118.040 118.700 0.073 0.000 2.069 29 N HA -0.225 4.515 4.740 -0.000 0.000 0.191 29 N C 1.566 177.236 175.510 0.267 0.000 1.031 29 N CA 1.912 55.049 53.050 0.145 0.000 0.852 29 N CB -0.407 38.164 38.487 0.139 0.000 1.018 29 N HN 0.595 nan 8.380 nan 0.000 0.423 30 H N 0.264 119.367 119.070 0.054 0.000 2.491 30 H HA 0.158 4.713 4.556 -0.000 0.000 0.290 30 H C 1.880 177.241 175.328 0.054 0.000 1.050 30 H CA 0.871 56.953 56.048 0.057 0.000 1.309 30 H CB -0.437 29.360 29.762 0.060 0.000 1.392 30 H HN 0.372 nan 8.280 nan 0.000 0.554 31 A N 0.587 123.511 122.820 0.173 0.000 1.930 31 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 31 A C 2.393 180.046 177.584 0.116 0.000 1.175 31 A CA 0.973 53.081 52.037 0.120 0.000 0.627 31 A CB -0.659 18.397 19.000 0.094 0.000 0.815 31 A HN 0.338 nan 8.150 nan 0.000 0.443 32 L N -0.682 120.612 121.223 0.118 0.000 2.093 32 L HA -0.123 4.216 4.340 -0.000 0.000 0.208 32 L C 2.491 179.425 176.870 0.107 0.000 1.085 32 L CA 0.756 55.662 54.840 0.109 0.000 0.755 32 L CB -0.541 41.583 42.059 0.109 0.000 0.904 32 L HN 0.359 nan 8.230 nan 0.000 0.435 33 L N -0.214 121.069 121.223 0.100 0.000 2.056 33 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 33 L C 2.887 179.813 176.870 0.095 0.000 1.078 33 L CA 1.156 56.036 54.840 0.067 0.000 0.749 33 L CB -0.685 41.365 42.059 -0.016 0.000 0.901 33 L HN 0.236 nan 8.230 nan 0.000 0.433 34 A N -0.539 122.343 122.820 0.104 0.000 1.930 34 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 34 A C 2.251 180.000 177.584 0.275 0.000 1.175 34 A CA 1.721 53.862 52.037 0.173 0.000 0.627 34 A CB -0.486 18.537 19.000 0.038 0.000 0.815 34 A HN 0.497 nan 8.150 nan 0.000 0.443 35 Q N -0.900 119.006 119.800 0.176 0.000 2.079 35 Q HA -0.155 4.185 4.340 -0.000 0.000 0.200 35 Q C 1.993 178.065 176.000 0.120 0.000 0.974 35 Q CA 1.087 56.981 55.803 0.152 0.000 0.840 35 Q CB -0.037 28.770 28.738 0.114 0.000 0.898 35 Q HN 0.405 nan 8.270 nan 0.000 0.430 36 R N -0.191 120.374 120.500 0.108 0.000 2.189 36 R HA 0.031 4.370 4.340 -0.000 0.000 0.218 36 R C 1.766 178.105 176.300 0.066 0.000 1.074 36 R CA 0.961 57.108 56.100 0.079 0.000 0.991 36 R CB -0.502 29.845 30.300 0.077 0.000 0.883 36 R HN 0.342 nan 8.270 nan 0.000 0.457 37 A N -0.350 122.533 122.820 0.105 0.000 2.169 37 A HA 0.250 4.570 4.320 -0.000 0.000 0.212 37 A C 1.403 178.947 177.584 -0.067 0.000 1.153 37 A CA 1.121 53.202 52.037 0.074 0.000 0.756 37 A CB 0.036 19.173 19.000 0.229 0.000 0.813 37 A HN 0.388 nan 8.150 nan 0.000 0.471 38 G N -2.775 106.002 108.800 -0.039 0.000 2.184 38 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.206 38 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.206 38 G C 0.004 174.796 174.900 -0.179 0.000 0.995 38 G CA -0.061 44.958 45.100 -0.135 0.000 0.651 38 G HN 0.368 nan 8.290 nan 0.000 0.511 39 Y N 0.977 121.295 120.300 0.030 0.000 2.480 39 Y HA 0.381 4.931 4.550 -0.000 0.000 0.338 39 Y C 1.731 177.660 175.900 0.049 0.000 1.220 39 Y CA 0.447 58.574 58.100 0.044 0.000 1.430 39 Y CB 0.693 39.192 38.460 0.064 0.000 1.311 39 Y HN 0.045 nan 8.280 nan 0.000 0.575 40 Q N 1.423 121.337 119.800 0.191 0.000 2.319 40 Q HA 0.397 4.737 4.340 -0.000 0.000 0.209 40 Q C -0.254 175.841 176.000 0.158 0.000 0.884 40 Q CA 0.210 56.087 55.803 0.124 0.000 0.938 40 Q CB 0.876 29.644 28.738 0.050 0.000 1.098 40 Q HN 0.659 nan 8.270 nan 0.000 0.517 41 A N 0.834 123.785 122.820 0.219 0.000 2.589 41 A HA 0.713 5.033 4.320 -0.000 0.000 0.296 41 A C -0.807 176.924 177.584 0.245 0.000 1.062 41 A CA -0.783 51.413 52.037 0.264 0.000 0.686 41 A CB 1.131 20.326 19.000 0.325 0.000 1.282 41 A HN 0.184 nan 8.150 nan 0.000 0.404 42 I N -1.848 118.860 120.570 0.230 0.000 3.206 42 I HA 0.893 5.063 4.170 -0.000 0.000 0.313 42 I C -1.008 175.253 176.117 0.240 0.000 1.103 42 I CA -1.146 60.263 61.300 0.182 0.000 0.985 42 I CB 2.093 40.170 38.000 0.129 0.000 1.240 42 I HN 0.719 nan 8.210 nan 0.000 0.464 43 Y N 1.935 122.259 120.300 0.041 0.000 2.492 43 Y HA 0.674 5.224 4.550 -0.000 0.000 0.346 43 Y C -1.812 174.099 175.900 0.019 0.000 0.997 43 Y CA -1.200 56.918 58.100 0.031 0.000 1.025 43 Y CB 2.133 40.620 38.460 0.045 0.000 1.263 43 Y HN 0.623 nan 8.280 nan 0.000 0.454 44 L N 5.502 126.379 121.223 -0.577 0.000 2.313 44 L HA 0.486 4.826 4.340 -0.000 0.000 0.273 44 L C -0.468 175.895 176.870 -0.845 0.000 1.028 44 L CA -0.130 54.408 54.840 -0.502 0.000 0.871 44 L CB 0.695 42.577 42.059 -0.296 0.000 1.242 44 L HN 0.615 nan 8.230 nan 0.000 0.434 45 S N 2.746 118.092 115.700 -0.590 0.000 2.533 45 S HA 0.337 4.807 4.470 -0.000 0.000 0.282 45 S C 1.478 175.978 174.600 -0.166 0.000 1.304 45 S CA 0.239 58.265 58.200 -0.289 0.000 1.063 45 S CB 1.004 64.244 63.200 0.068 0.000 0.881 45 S HN 0.888 nan 8.310 nan 0.000 0.493 46 G N 3.931 112.690 108.800 -0.068 0.000 2.408 46 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.217 46 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.217 46 G C 1.346 176.246 174.900 0.001 0.000 1.150 46 G CA 0.546 45.637 45.100 -0.016 0.000 0.776 46 G HN 0.897 nan 8.290 nan 0.000 0.542 47 G N 0.643 109.462 108.800 0.032 0.000 2.443 47 G HA2 0.106 4.066 3.960 -0.000 0.000 0.219 47 G HA3 0.106 4.066 3.960 -0.000 0.000 0.219 47 G C 1.666 176.545 174.900 -0.036 0.000 1.131 47 G CA 1.281 46.402 45.100 0.035 0.000 0.775 47 G HN 0.545 nan 8.290 nan 0.000 0.547 48 G N 0.346 109.074 108.800 -0.121 0.000 2.403 48 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.216 48 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.216 48 G C 1.730 176.460 174.900 -0.284 0.000 1.154 48 G CA 0.987 45.877 45.100 -0.350 0.000 0.784 48 G HN 0.279 nan 8.290 nan 0.000 0.538 49 V N 1.594 121.411 119.914 -0.162 0.000 2.343 49 V HA -0.147 3.972 4.120 -0.000 0.000 0.247 49 V C 3.286 179.340 176.094 -0.067 0.000 1.051 49 V CA 2.087 64.320 62.300 -0.112 0.000 1.036 49 V CB -0.799 30.981 31.823 -0.072 0.000 0.654 49 V HN 0.475 nan 8.190 nan 0.000 0.451 50 A N 0.040 122.839 122.820 -0.034 0.000 1.835 50 A HA -0.093 4.227 4.320 -0.000 0.000 0.215 50 A C 2.423 180.018 177.584 0.019 0.000 1.199 50 A CA 2.201 54.241 52.037 0.005 0.000 0.615 50 A CB -1.043 17.973 19.000 0.026 0.000 0.838 50 A HN 0.557 nan 8.150 nan 0.000 0.444 51 A N -1.010 121.828 122.820 0.030 0.000 1.930 51 A HA 0.198 4.518 4.320 -0.000 0.000 0.217 51 A C 2.313 179.998 177.584 0.168 0.000 1.175 51 A CA 1.998 54.109 52.037 0.123 0.000 0.627 51 A CB -1.158 17.980 19.000 0.230 0.000 0.815 51 A HN 0.700 nan 8.150 nan 0.000 0.443 52 G N -1.400 107.391 108.800 -0.015 0.000 2.471 52 G HA2 0.032 3.991 3.960 -0.000 0.000 0.211 52 G HA3 0.032 3.991 3.960 -0.000 0.000 0.211 52 G C 1.783 176.701 174.900 0.030 0.000 1.194 52 G CA 1.022 46.138 45.100 0.027 0.000 0.816 52 G HN 0.452 nan 8.290 nan 0.000 0.545 53 S N 0.329 116.003 115.700 -0.043 0.000 2.406 53 S HA 0.101 4.571 4.470 -0.000 0.000 0.228 53 S C 2.034 176.635 174.600 0.002 0.000 1.020 53 S CA 0.665 58.851 58.200 -0.023 0.000 0.965 53 S CB -0.088 63.081 63.200 -0.051 0.000 0.798 53 S HN 0.254 nan 8.310 nan 0.000 0.488 54 L N -0.266 120.962 121.223 0.009 0.000 2.701 54 L HA 0.350 4.690 4.340 -0.000 0.000 0.238 54 L C 1.426 178.318 176.870 0.037 0.000 1.106 54 L CA 0.227 55.078 54.840 0.019 0.000 0.898 54 L CB -0.267 41.800 42.059 0.013 0.000 1.188 54 L HN 0.390 nan 8.230 nan 0.000 0.508 55 G N 1.729 110.564 108.800 0.059 0.000 2.249 55 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.273 55 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.273 55 G C -0.086 174.852 174.900 0.064 0.000 1.036 55 G CA 0.316 45.462 45.100 0.077 0.000 0.824 55 G HN 0.240 nan 8.290 nan 0.000 0.504 56 L N 0.368 121.625 121.223 0.058 0.000 2.333 56 L HA 0.617 4.957 4.340 -0.000 0.000 0.269 56 L C -1.649 175.255 176.870 0.056 0.000 1.010 56 L CA -2.658 52.211 54.840 0.049 0.000 0.818 56 L CB 2.144 44.226 42.059 0.037 0.000 1.306 56 L HN -0.078 nan 8.230 nan 0.000 0.430 57 P HA -0.005 nan 4.420 nan 0.000 0.272 57 P C -0.986 176.341 177.300 0.044 0.000 1.240 57 P CA -0.258 62.873 63.100 0.052 0.000 0.791 57 P CB 0.777 32.502 31.700 0.041 0.000 0.978 58 D N 1.349 121.777 120.400 0.046 0.000 2.688 58 D HA 0.111 4.751 4.640 -0.000 0.000 0.228 58 D C 0.011 176.321 176.300 0.015 0.000 1.116 58 D CA 0.053 54.074 54.000 0.035 0.000 1.023 58 D CB -1.028 39.801 40.800 0.048 0.000 1.100 58 D HN -0.011 nan 8.370 nan 0.000 0.487 59 L N 0.819 122.048 121.223 0.010 0.000 2.965 59 L HA 0.383 4.723 4.340 -0.000 0.000 0.254 59 L C 1.555 178.412 176.870 -0.020 0.000 1.220 59 L CA -0.121 54.714 54.840 -0.008 0.000 1.023 59 L CB 0.010 42.069 42.059 -0.001 0.000 1.355 59 L HN 0.462 nan 8.230 nan 0.000 0.545 60 G N 0.002 108.791 108.800 -0.018 0.000 2.182 60 G HA2 -0.290 3.669 3.960 -0.000 0.000 0.248 60 G HA3 -0.290 3.669 3.960 -0.000 0.000 0.248 60 G C 1.001 175.910 174.900 0.015 0.000 1.042 60 G CA 0.652 45.736 45.100 -0.027 0.000 0.775 60 G HN 0.408 nan 8.290 nan 0.000 0.501 61 I N 0.141 120.731 120.570 0.033 0.000 3.035 61 I HA 0.110 4.280 4.170 -0.000 0.000 0.271 61 I C 1.890 178.047 176.117 0.067 0.000 1.190 61 I CA 0.690 62.015 61.300 0.042 0.000 1.472 61 I CB 0.076 38.095 38.000 0.031 0.000 1.116 61 I HN 0.341 nan 8.210 nan 0.000 0.443 62 S N 1.225 116.979 115.700 0.090 0.000 2.568 62 S HA 0.103 4.572 4.470 -0.000 0.000 0.282 62 S C 0.361 175.074 174.600 0.188 0.000 1.338 62 S CA -0.228 58.039 58.200 0.111 0.000 1.045 62 S CB 0.284 63.559 63.200 0.125 0.000 0.873 62 S HN 0.405 nan 8.310 nan 0.000 0.516 63 T N 2.595 117.190 114.554 0.069 0.000 2.949 63 T HA 0.433 4.783 4.350 -0.000 0.000 0.287 63 T C 1.185 175.645 174.700 -0.400 0.000 1.034 63 T CA -0.750 61.344 62.100 -0.010 0.000 1.018 63 T CB 0.966 69.808 68.868 -0.043 0.000 1.135 63 T HN 0.506 nan 8.240 nan 0.000 0.532 64 L N 0.739 121.511 121.223 -0.752 0.000 2.043 64 L HA -0.063 4.277 4.340 -0.000 0.000 0.212 64 L C 1.988 178.543 176.870 -0.525 0.000 1.075 64 L CA 2.035 56.217 54.840 -1.097 0.000 0.752 64 L CB -1.130 40.502 42.059 -0.711 0.000 0.891 64 L HN 0.768 nan 8.230 nan 0.000 0.432 65 D N -0.461 119.756 120.400 -0.306 0.000 2.178 65 D HA -0.185 4.454 4.640 -0.000 0.000 0.201 65 D C 1.549 177.752 176.300 -0.162 0.000 0.980 65 D CA 1.443 55.328 54.000 -0.192 0.000 0.842 65 D CB -0.093 40.632 40.800 -0.126 0.000 0.948 65 D HN 0.515 nan 8.370 nan 0.000 0.472 66 D N 0.590 120.895 120.400 -0.158 0.000 2.144 66 D HA -0.097 4.543 4.640 -0.000 0.000 0.199 66 D C 2.347 178.573 176.300 -0.123 0.000 0.984 66 D CA 0.461 54.396 54.000 -0.108 0.000 0.834 66 D CB 0.004 40.761 40.800 -0.071 0.000 0.955 66 D HN 0.115 nan 8.370 nan 0.000 0.465 67 V N 1.237 121.041 119.914 -0.183 0.000 2.323 67 V HA -0.166 3.954 4.120 -0.000 0.000 0.244 67 V C 2.700 178.704 176.094 -0.149 0.000 1.041 67 V CA 0.877 63.079 62.300 -0.164 0.000 1.025 67 V CB -0.442 31.258 31.823 -0.205 0.000 0.656 67 V HN 0.165 nan 8.190 nan 0.000 0.451 68 L N -0.128 120.991 121.223 -0.173 0.000 2.042 68 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 68 L C 2.670 179.484 176.870 -0.094 0.000 1.076 68 L CA 2.037 56.799 54.840 -0.129 0.000 0.749 68 L CB -1.165 40.812 42.059 -0.136 0.000 0.893 68 L HN 0.351 nan 8.230 nan 0.000 0.432 69 T N -0.769 113.730 114.554 -0.091 0.000 2.665 69 T HA -0.209 4.141 4.350 -0.000 0.000 0.268 69 T C 1.441 176.106 174.700 -0.059 0.000 1.035 69 T CA 1.777 63.837 62.100 -0.067 0.000 1.151 69 T CB -0.259 68.571 68.868 -0.063 0.000 0.862 69 T HN 0.322 nan 8.240 nan 0.000 0.438 70 D N 0.534 120.893 120.400 -0.069 0.000 2.178 70 D HA 0.055 4.695 4.640 -0.000 0.000 0.202 70 D C 2.046 178.313 176.300 -0.056 0.000 0.974 70 D CA 0.494 54.456 54.000 -0.064 0.000 0.841 70 D CB -0.321 40.430 40.800 -0.081 0.000 0.953 70 D HN 0.371 nan 8.370 nan 0.000 0.478 71 I N 0.654 121.187 120.570 -0.062 0.000 2.179 71 I HA -0.250 3.919 4.170 -0.000 0.000 0.242 71 I C 2.440 178.541 176.117 -0.025 0.000 1.088 71 I CA 1.065 62.339 61.300 -0.045 0.000 1.357 71 I CB -0.125 37.846 38.000 -0.049 0.000 1.051 71 I HN -0.059 nan 8.210 nan 0.000 0.409 72 R N 0.484 120.965 120.500 -0.031 0.000 2.081 72 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 72 R C 2.462 178.756 176.300 -0.010 0.000 1.131 72 R CA 1.253 57.341 56.100 -0.019 0.000 0.960 72 R CB -0.385 29.899 30.300 -0.027 0.000 0.856 72 R HN 0.376 nan 8.270 nan 0.000 0.436 73 R N 0.451 120.941 120.500 -0.017 0.000 2.083 73 R HA -0.103 4.236 4.340 -0.000 0.000 0.237 73 R C 2.346 178.648 176.300 0.003 0.000 1.137 73 R CA 1.483 57.578 56.100 -0.009 0.000 0.951 73 R CB -0.369 29.921 30.300 -0.018 0.000 0.851 73 R HN 0.227 nan 8.270 nan 0.000 0.434 74 I N 0.178 120.749 120.570 0.002 0.000 2.163 74 I HA -0.231 3.939 4.170 -0.000 0.000 0.240 74 I C 2.505 178.641 176.117 0.032 0.000 1.081 74 I CA 1.676 62.987 61.300 0.019 0.000 1.353 74 I CB -0.472 37.536 38.000 0.013 0.000 1.054 74 I HN 0.327 nan 8.210 nan 0.000 0.407 75 T N -2.903 111.669 114.554 0.029 0.000 3.035 75 T HA -0.088 4.262 4.350 -0.000 0.000 0.268 75 T C 1.379 176.101 174.700 0.037 0.000 1.109 75 T CA 0.848 62.974 62.100 0.043 0.000 1.119 75 T CB -0.313 68.585 68.868 0.049 0.000 0.900 75 T HN 0.154 nan 8.240 nan 0.000 0.503 76 D N 0.632 121.048 120.400 0.026 0.000 2.178 76 D HA 0.018 4.658 4.640 -0.000 0.000 0.202 76 D C 1.965 178.282 176.300 0.028 0.000 0.974 76 D CA 0.531 54.545 54.000 0.023 0.000 0.841 76 D CB 0.029 40.839 40.800 0.016 0.000 0.953 76 D HN 0.375 nan 8.370 nan 0.000 0.478 77 V N -0.954 118.982 119.914 0.035 0.000 3.570 77 V HA 0.186 4.306 4.120 -0.000 0.000 0.257 77 V C 0.114 176.236 176.094 0.046 0.000 1.272 77 V CA 0.087 62.414 62.300 0.045 0.000 1.079 77 V CB 0.963 32.820 31.823 0.057 0.000 0.829 77 V HN 0.181 nan 8.190 nan 0.000 0.454 78 C N 1.064 120.394 119.300 0.049 0.000 2.322 78 C HA 0.569 5.029 4.460 -0.000 0.000 0.324 78 C C 1.976 176.998 174.990 0.053 0.000 1.284 78 C CA 0.158 59.210 59.018 0.057 0.000 1.606 78 C CB 0.973 28.756 27.740 0.072 0.000 2.251 78 C HN 0.615 nan 8.230 nan 0.000 0.502 79 S N 4.968 120.692 115.700 0.040 0.000 2.562 79 S HA 0.131 4.601 4.470 -0.000 0.000 0.221 79 S C 0.468 175.114 174.600 0.078 0.000 0.975 79 S CA 0.035 58.250 58.200 0.024 0.000 0.918 79 S CB -0.423 62.755 63.200 -0.037 0.000 0.772 79 S HN 0.756 nan 8.310 nan 0.000 0.531 80 L N 3.298 124.581 121.223 0.099 0.000 2.485 80 L HA 0.261 4.601 4.340 -0.000 0.000 0.275 80 L C -2.009 174.962 176.870 0.168 0.000 1.207 80 L CA -1.772 53.150 54.840 0.137 0.000 0.855 80 L CB -0.070 42.074 42.059 0.142 0.000 1.114 80 L HN 0.100 nan 8.230 nan 0.000 0.485 81 P HA 0.055 nan 4.420 nan 0.000 0.271 81 P C -0.904 176.511 177.300 0.191 0.000 1.220 81 P CA -0.310 62.930 63.100 0.233 0.000 0.768 81 P CB 1.217 33.120 31.700 0.338 0.000 0.848 82 L N 5.120 126.404 121.223 0.100 0.000 2.287 82 L HA 0.412 4.752 4.340 -0.000 0.000 0.287 82 L C -0.755 176.075 176.870 -0.067 0.000 1.022 82 L CA -0.960 53.909 54.840 0.048 0.000 0.814 82 L CB 1.124 43.207 42.059 0.041 0.000 1.217 82 L HN 0.197 nan 8.230 nan 0.000 0.420 83 L N 6.371 127.547 121.223 -0.079 0.000 2.292 83 L HA 0.630 4.969 4.340 -0.000 0.000 0.284 83 L C -0.913 175.916 176.870 -0.069 0.000 1.065 83 L CA 0.080 54.821 54.840 -0.165 0.000 0.806 83 L CB 1.445 43.449 42.059 -0.092 0.000 1.175 83 L HN 0.435 nan 8.230 nan 0.000 0.431 84 V N 3.954 123.784 119.914 -0.141 0.000 2.555 84 V HA 0.319 4.439 4.120 -0.000 0.000 0.302 84 V C -0.611 175.265 176.094 -0.363 0.000 1.038 84 V CA -0.838 61.321 62.300 -0.236 0.000 0.887 84 V CB 1.693 33.444 31.823 -0.120 0.000 0.991 84 V HN 0.748 nan 8.190 nan 0.000 0.434 85 D N 3.617 123.726 120.400 -0.485 0.000 2.338 85 D HA 0.350 4.990 4.640 -0.000 0.000 0.255 85 D C 0.561 176.705 176.300 -0.261 0.000 1.237 85 D CA 0.057 53.706 54.000 -0.585 0.000 0.883 85 D CB 1.661 42.335 40.800 -0.209 0.000 1.087 85 D HN 0.658 nan 8.370 nan 0.000 0.485 86 A N 4.086 126.758 122.820 -0.247 0.000 2.423 86 A HA 0.149 4.469 4.320 -0.000 0.000 0.246 86 A C 1.100 178.607 177.584 -0.129 0.000 1.278 86 A CA -0.097 51.956 52.037 0.027 0.000 0.903 86 A CB 0.004 19.043 19.000 0.066 0.000 0.997 86 A HN 0.712 nan 8.150 nan 0.000 0.510 87 D N -0.122 120.182 120.400 -0.160 0.000 3.899 87 D HA -0.286 4.353 4.640 -0.000 0.000 0.146 87 D C 0.954 177.126 176.300 -0.213 0.000 0.820 87 D CA 2.453 56.325 54.000 -0.215 0.000 1.056 87 D CB -1.004 39.548 40.800 -0.413 0.000 0.474 87 D HN 0.755 nan 8.370 nan 0.000 0.457 88 I N -2.202 118.179 120.570 -0.316 0.000 3.914 88 I HA 0.509 4.679 4.170 -0.000 0.000 0.333 88 I C 1.170 177.176 176.117 -0.186 0.000 1.449 88 I CA 0.550 61.723 61.300 -0.213 0.000 1.135 88 I CB 0.557 38.448 38.000 -0.182 0.000 1.073 88 I HN 0.600 nan 8.210 nan 0.000 0.401 89 G N 1.055 109.731 108.800 -0.207 0.000 2.176 89 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.232 89 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.232 89 G C 0.169 175.128 174.900 0.098 0.000 0.986 89 G CA -0.237 44.851 45.100 -0.020 0.000 0.643 89 G HN 0.365 nan 8.290 nan 0.000 0.522 90 F N -0.841 119.094 119.950 -0.024 0.000 2.555 90 F HA 0.171 4.698 4.527 -0.000 0.000 0.252 90 F C 1.205 176.999 175.800 -0.010 0.000 1.036 90 F CA 1.920 59.908 58.000 -0.019 0.000 0.963 90 F CB -1.141 37.846 39.000 -0.022 0.000 1.076 90 F HN 1.807 nan 8.300 nan 0.000 0.832 91 G N 0.050 108.889 108.800 0.065 0.000 2.453 91 G HA2 0.366 4.326 3.960 -0.000 0.000 0.665 91 G HA3 0.366 4.326 3.960 -0.000 0.000 0.665 91 G C 0.188 175.093 174.900 0.009 0.000 1.411 91 G CA -0.375 44.758 45.100 0.054 0.000 0.889 91 G HN 1.030 nan 8.290 nan 0.000 0.651 92 S N -0.644 115.058 115.700 0.002 0.000 2.496 92 S HA 0.398 4.868 4.470 -0.000 0.000 0.224 92 S C 1.381 175.957 174.600 -0.040 0.000 0.996 92 S CA 1.207 59.394 58.200 -0.022 0.000 0.927 92 S CB 0.309 63.499 63.200 -0.016 0.000 0.774 92 S HN 1.672 nan 8.310 nan 0.000 0.524 93 S N 0.482 116.164 115.700 -0.029 0.000 2.617 93 S HA 0.660 5.130 4.470 -0.000 0.000 0.269 93 S C 1.303 175.822 174.600 -0.136 0.000 1.292 93 S CA -0.133 58.008 58.200 -0.099 0.000 1.010 93 S CB 1.045 64.221 63.200 -0.039 0.000 0.944 93 S HN 0.475 nan 8.310 nan 0.000 0.536 94 A N 3.379 126.018 122.820 -0.301 0.000 2.015 94 A HA 0.071 4.390 4.320 -0.000 0.000 0.219 94 A C 1.494 179.000 177.584 -0.130 0.000 1.163 94 A CA 1.261 53.150 52.037 -0.245 0.000 0.646 94 A CB -0.756 18.041 19.000 -0.338 0.000 0.806 94 A HN 0.804 nan 8.150 nan 0.000 0.448 95 F N 0.430 120.382 119.950 0.004 0.000 2.234 95 F HA -0.079 4.448 4.527 -0.000 0.000 0.299 95 F C 2.041 177.845 175.800 0.007 0.000 1.087 95 F CA 1.073 59.074 58.000 0.003 0.000 1.340 95 F CB -1.190 37.811 39.000 0.001 0.000 1.031 95 F HN 0.292 nan 8.300 nan 0.000 0.500 96 N N 0.070 118.874 118.700 0.172 0.000 2.106 96 N HA -0.120 4.620 4.740 -0.000 0.000 0.188 96 N C 1.893 177.461 175.510 0.096 0.000 1.029 96 N CA 1.182 54.305 53.050 0.120 0.000 0.848 96 N CB -0.327 38.217 38.487 0.095 0.000 1.007 96 N HN -0.029 nan 8.380 nan 0.000 0.423 97 V N 1.301 121.253 119.914 0.062 0.000 2.343 97 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 97 V C 2.312 178.440 176.094 0.057 0.000 1.051 97 V CA 1.957 64.287 62.300 0.051 0.000 1.036 97 V CB -0.914 30.915 31.823 0.010 0.000 0.654 97 V HN 0.373 nan 8.190 nan 0.000 0.451 98 A N -0.135 122.723 122.820 0.064 0.000 1.873 98 A HA -0.235 4.085 4.320 -0.000 0.000 0.215 98 A C 2.422 180.029 177.584 0.038 0.000 1.186 98 A CA 1.925 53.997 52.037 0.058 0.000 0.616 98 A CB -0.562 18.494 19.000 0.093 0.000 0.823 98 A HN 0.462 nan 8.150 nan 0.000 0.442 99 R N -0.864 119.667 120.500 0.052 0.000 2.096 99 R HA -0.112 4.228 4.340 -0.000 0.000 0.235 99 R C 2.105 178.401 176.300 -0.007 0.000 1.127 99 R CA 1.886 57.996 56.100 0.017 0.000 0.968 99 R CB -0.494 29.821 30.300 0.025 0.000 0.861 99 R HN 0.503 nan 8.270 nan 0.000 0.440 100 T N 0.342 114.912 114.554 0.025 0.000 2.708 100 T HA -0.110 4.240 4.350 -0.000 0.000 0.266 100 T C 1.815 176.509 174.700 -0.011 0.000 1.037 100 T CA 1.534 63.650 62.100 0.026 0.000 1.146 100 T CB -0.146 68.804 68.868 0.137 0.000 0.865 100 T HN 0.031 nan 8.240 nan 0.000 0.435 101 V N 1.573 121.484 119.914 -0.004 0.000 2.255 101 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 101 V C 2.464 178.431 176.094 -0.210 0.000 1.051 101 V CA 1.698 63.959 62.300 -0.065 0.000 1.018 101 V CB -0.498 31.318 31.823 -0.012 0.000 0.641 101 V HN 0.475 nan 8.190 nan 0.000 0.445 102 K N 0.031 120.344 120.400 -0.145 0.000 2.097 102 K HA -0.142 4.178 4.320 -0.000 0.000 0.206 102 K C 2.389 178.888 176.600 -0.168 0.000 1.049 102 K CA 1.744 57.931 56.287 -0.166 0.000 0.933 102 K CB -0.333 32.111 32.500 -0.095 0.000 0.717 102 K HN 0.382 nan 8.250 nan 0.000 0.442 103 S N 1.093 116.716 115.700 -0.128 0.000 2.368 103 S HA -0.055 4.415 4.470 -0.000 0.000 0.224 103 S C 1.923 176.441 174.600 -0.137 0.000 1.029 103 S CA 1.144 59.273 58.200 -0.118 0.000 0.988 103 S CB -0.070 63.069 63.200 -0.101 0.000 0.838 103 S HN 0.248 nan 8.310 nan 0.000 0.462 104 M N 0.533 120.042 119.600 -0.153 0.000 2.175 104 M HA -0.005 4.475 4.480 -0.000 0.000 0.264 104 M C 1.917 178.101 176.300 -0.194 0.000 1.063 104 M CA 1.241 56.464 55.300 -0.128 0.000 1.119 104 M CB -0.554 32.020 32.600 -0.043 0.000 1.377 104 M HN 0.273 nan 8.290 nan 0.000 0.415 105 I N 0.126 120.448 120.570 -0.412 0.000 2.179 105 I HA -0.304 3.866 4.170 -0.000 0.000 0.242 105 I C 2.533 178.530 176.117 -0.200 0.000 1.088 105 I CA 1.339 62.358 61.300 -0.469 0.000 1.357 105 I CB -0.399 37.220 38.000 -0.635 0.000 1.051 105 I HN 0.281 nan 8.210 nan 0.000 0.409 106 K N 1.200 121.500 120.400 -0.168 0.000 2.147 106 K HA -0.135 4.185 4.320 -0.000 0.000 0.205 106 K C 2.011 178.571 176.600 -0.067 0.000 1.049 106 K CA 1.289 57.516 56.287 -0.099 0.000 0.936 106 K CB -0.043 32.402 32.500 -0.091 0.000 0.722 106 K HN 0.307 nan 8.250 nan 0.000 0.446 107 A N -0.167 122.609 122.820 -0.072 0.000 2.168 107 A HA 0.115 4.435 4.320 -0.000 0.000 0.215 107 A C 1.388 178.962 177.584 -0.018 0.000 1.152 107 A CA 1.158 53.166 52.037 -0.047 0.000 0.716 107 A CB -0.294 18.671 19.000 -0.059 0.000 0.794 107 A HN 0.548 nan 8.150 nan 0.000 0.465 108 G N -2.682 106.114 108.800 -0.007 0.000 2.192 108 G HA2 0.197 4.157 3.960 -0.000 0.000 0.193 108 G HA3 0.197 4.157 3.960 -0.000 0.000 0.193 108 G C 0.360 175.306 174.900 0.077 0.000 0.999 108 G CA 0.096 45.218 45.100 0.037 0.000 0.659 108 G HN 1.439 nan 8.290 nan 0.000 0.503 109 A N 0.168 123.043 122.820 0.092 0.000 2.386 109 A HA 0.812 5.132 4.320 -0.000 0.000 0.248 109 A C 1.554 179.320 177.584 0.302 0.000 1.082 109 A CA 1.017 53.158 52.037 0.173 0.000 0.789 109 A CB 0.789 19.919 19.000 0.216 0.000 1.025 109 A HN 1.668 nan 8.150 nan 0.000 0.490 110 A N 1.184 124.084 122.820 0.133 0.000 2.095 110 A HA 0.544 4.864 4.320 -0.000 0.000 0.212 110 A C 1.079 178.419 177.584 -0.407 0.000 1.162 110 A CA 1.257 53.305 52.037 0.019 0.000 0.753 110 A CB -0.246 18.739 19.000 -0.026 0.000 0.840 110 A HN 2.152 nan 8.150 nan 0.000 0.468 111 G N -1.454 106.973 108.800 -0.621 0.000 2.451 111 G HA2 0.572 4.532 3.960 -0.000 0.000 0.292 111 G HA3 0.572 4.532 3.960 -0.000 0.000 0.292 111 G C -1.641 172.910 174.900 -0.582 0.000 1.427 111 G CA -0.017 44.335 45.100 -1.247 0.000 0.792 111 G HN 1.094 nan 8.290 nan 0.000 0.498 112 L N -2.117 118.842 121.223 -0.439 0.000 2.568 112 L HA 0.948 5.288 4.340 -0.000 0.000 0.257 112 L C -0.902 175.949 176.870 -0.033 0.000 1.024 112 L CA -1.491 53.270 54.840 -0.131 0.000 0.854 112 L CB 1.539 43.638 42.059 0.066 0.000 1.460 112 L HN 1.005 nan 8.230 nan 0.000 0.409 113 H N 0.070 119.174 119.070 0.056 0.000 2.572 113 H HA 0.843 5.399 4.556 -0.000 0.000 0.359 113 H C -1.275 174.069 175.328 0.026 0.000 1.134 113 H CA -1.175 54.916 56.048 0.070 0.000 1.187 113 H CB 1.728 31.604 29.762 0.190 0.000 1.597 113 H HN 0.979 nan 8.280 nan 0.000 0.524 114 I N 2.735 123.391 120.570 0.143 0.000 2.509 114 I HA 0.321 4.491 4.170 -0.000 0.000 0.293 114 I C -0.587 175.521 176.117 -0.016 0.000 1.020 114 I CA -0.754 60.566 61.300 0.034 0.000 1.088 114 I CB 1.548 39.541 38.000 -0.012 0.000 1.267 114 I HN 0.982 nan 8.210 nan 0.000 0.430 115 E N 4.367 124.531 120.200 -0.061 0.000 2.259 115 E HA 0.290 4.640 4.350 -0.000 0.000 0.257 115 E C -0.973 175.546 176.600 -0.134 0.000 0.998 115 E CA -0.652 55.678 56.400 -0.117 0.000 0.866 115 E CB 1.299 30.916 29.700 -0.138 0.000 1.220 115 E HN 0.622 nan 8.360 nan 0.000 0.415 116 D N -0.023 120.312 120.400 -0.109 0.000 2.336 116 D HA -0.001 4.639 4.640 -0.000 0.000 0.228 116 D C -0.022 176.249 176.300 -0.049 0.000 1.120 116 D CA -0.147 53.805 54.000 -0.081 0.000 0.839 116 D CB -0.012 40.797 40.800 0.015 0.000 0.932 116 D HN 0.283 nan 8.370 nan 0.000 0.509 117 Q N 0.089 119.847 119.800 -0.070 0.000 2.417 117 Q HA 0.164 4.504 4.340 -0.000 0.000 0.241 117 Q C 1.004 176.965 176.000 -0.066 0.000 1.008 117 Q CA -0.334 55.431 55.803 -0.064 0.000 0.901 117 Q CB 2.184 30.872 28.738 -0.083 0.000 1.259 117 Q HN 0.017 nan 8.270 nan 0.000 0.489 118 V N 0.950 120.831 119.914 -0.055 0.000 2.535 118 V HA 0.032 4.152 4.120 -0.000 0.000 0.246 118 V C 1.047 177.095 176.094 -0.076 0.000 1.045 118 V CA 1.397 63.669 62.300 -0.046 0.000 1.058 118 V CB -0.952 30.868 31.823 -0.006 0.000 0.689 118 V HN 1.120 nan 8.190 nan 0.000 0.461 119 G N 0.086 108.815 108.800 -0.119 0.000 2.542 119 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.235 119 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.235 119 G C 0.036 174.813 174.900 -0.205 0.000 1.286 119 G CA -0.152 44.860 45.100 -0.146 0.000 0.904 119 G HN 1.287 nan 8.290 nan 0.000 0.577 120 A N -0.212 122.521 122.820 -0.146 0.000 2.320 120 A HA 0.727 5.047 4.320 -0.000 0.000 0.287 120 A C 0.956 178.574 177.584 0.056 0.000 1.181 120 A CA 1.072 53.044 52.037 -0.108 0.000 0.831 120 A CB 1.192 20.169 19.000 -0.038 0.000 1.102 120 A HN 1.305 nan 8.150 nan 0.000 0.513 121 K N 1.314 121.885 120.400 0.285 0.000 2.354 121 K HA 0.162 4.482 4.320 -0.000 0.000 0.194 121 K C 0.653 177.333 176.600 0.134 0.000 1.045 121 K CA 0.651 57.061 56.287 0.205 0.000 1.026 121 K CB 0.156 32.796 32.500 0.232 0.000 0.866 121 K HN 0.723 nan 8.250 nan 0.000 0.530 122 R N -1.309 119.292 120.500 0.169 0.000 2.707 122 R HA 0.203 4.542 4.340 -0.000 0.000 0.272 122 R C 0.349 176.706 176.300 0.094 0.000 1.011 122 R CA -0.474 55.674 56.100 0.080 0.000 0.893 122 R CB 0.651 30.954 30.300 0.004 0.000 1.233 122 R HN 0.097 nan 8.270 nan 0.000 0.464 123 C N 1.760 121.092 119.300 0.053 0.000 2.401 123 C HA 0.006 4.466 4.460 -0.000 0.000 0.276 123 C C 1.984 177.008 174.990 0.056 0.000 1.233 123 C CA 1.666 60.712 59.018 0.047 0.000 1.753 123 C CB -1.035 26.723 27.740 0.029 0.000 2.029 123 C HN 0.871 nan 8.230 nan 0.000 0.478 124 G N -1.405 107.426 108.800 0.051 0.000 3.233 124 G HA2 0.090 4.050 3.960 -0.000 0.000 0.227 124 G HA3 0.090 4.050 3.960 -0.000 0.000 0.227 124 G C 0.315 175.268 174.900 0.089 0.000 1.175 124 G CA -0.028 45.102 45.100 0.051 0.000 0.781 124 G HN 0.709 nan 8.290 nan 0.000 0.542 125 H N 1.790 120.861 119.070 0.002 0.000 3.091 125 H HA 0.180 4.736 4.556 -0.000 0.000 0.289 125 H C 0.837 176.166 175.328 0.002 0.000 0.995 125 H CA -0.039 56.009 56.048 0.001 0.000 1.461 125 H CB 0.263 30.024 29.762 -0.001 0.000 1.510 125 H HN 0.178 nan 8.280 nan 0.000 0.546 126 R N 4.826 125.517 120.500 0.319 0.000 2.774 126 R HA 0.110 4.450 4.340 -0.000 0.000 0.269 126 R C -2.086 174.250 176.300 0.060 0.000 1.068 126 R CA -1.465 54.722 56.100 0.146 0.000 1.180 126 R CB -0.208 30.161 30.300 0.115 0.000 1.077 126 R HN 0.531 nan 8.270 nan 0.000 0.513 127 P HA -0.038 nan 4.420 nan 0.000 0.264 127 P C -1.151 176.127 177.300 -0.037 0.000 1.193 127 P CA 0.391 63.468 63.100 -0.038 0.000 0.763 127 P CB 0.450 32.144 31.700 -0.010 0.000 0.810 128 N N 0.131 118.777 118.700 -0.090 0.000 2.732 128 N HA 0.358 5.098 4.740 -0.000 0.000 0.259 128 N C -0.561 174.918 175.510 -0.052 0.000 1.402 128 N CA -0.926 52.094 53.050 -0.051 0.000 0.829 128 N CB 1.410 39.876 38.487 -0.037 0.000 1.495 128 N HN -0.010 nan 8.380 nan 0.000 0.511 129 K N -0.304 120.086 120.400 -0.017 0.000 2.414 129 K HA 0.420 4.740 4.320 -0.000 0.000 0.204 129 K C -0.081 176.515 176.600 -0.008 0.000 1.026 129 K CA -0.479 55.798 56.287 -0.016 0.000 1.108 129 K CB 0.796 33.295 32.500 -0.001 0.000 0.855 129 K HN 0.602 nan 8.250 nan 0.000 0.517 130 A N 2.133 124.953 122.820 0.001 0.000 2.507 130 A HA 0.299 4.619 4.320 -0.000 0.000 0.235 130 A C 0.322 177.909 177.584 0.005 0.000 1.070 130 A CA -0.101 51.948 52.037 0.021 0.000 0.768 130 A CB -0.176 18.860 19.000 0.059 0.000 1.011 130 A HN 0.477 nan 8.150 nan 0.000 0.502 131 I N -0.032 120.548 120.570 0.017 0.000 2.785 131 I HA 0.736 4.906 4.170 -0.000 0.000 0.302 131 I C 0.047 176.178 176.117 0.024 0.000 1.069 131 I CA -1.276 60.033 61.300 0.015 0.000 1.045 131 I CB 1.790 39.809 38.000 0.030 0.000 1.236 131 I HN 0.623 nan 8.210 nan 0.000 0.429 132 V N 1.587 121.511 119.914 0.018 0.000 3.385 132 V HA 0.485 4.605 4.120 -0.000 0.000 0.301 132 V C 0.827 176.947 176.094 0.043 0.000 1.082 132 V CA -0.032 62.280 62.300 0.020 0.000 1.085 132 V CB 0.998 32.820 31.823 -0.002 0.000 1.152 132 V HN 1.047 nan 8.190 nan 0.000 0.465 133 S N 0.528 116.252 115.700 0.039 0.000 2.589 133 S HA 0.140 4.610 4.470 -0.000 0.000 0.265 133 S C 0.995 175.649 174.600 0.089 0.000 1.342 133 S CA 0.381 58.612 58.200 0.052 0.000 1.005 133 S CB 0.545 63.766 63.200 0.036 0.000 0.909 133 S HN 1.014 nan 8.310 nan 0.000 0.555 134 K N 0.705 121.170 120.400 0.109 0.000 2.063 134 K HA -0.202 4.118 4.320 -0.000 0.000 0.208 134 K C 1.662 178.356 176.600 0.157 0.000 1.048 134 K CA 1.967 58.365 56.287 0.185 0.000 0.928 134 K CB -0.370 32.197 32.500 0.111 0.000 0.713 134 K HN 0.703 nan 8.250 nan 0.000 0.442 135 E N 0.809 121.060 120.200 0.084 0.000 2.085 135 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 135 E C 1.831 178.449 176.600 0.031 0.000 0.994 135 E CA 1.498 57.930 56.400 0.054 0.000 0.801 135 E CB -0.193 29.526 29.700 0.032 0.000 0.743 135 E HN 0.353 nan 8.360 nan 0.000 0.453 136 E N 0.118 120.330 120.200 0.021 0.000 2.077 136 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 136 E C 1.870 178.447 176.600 -0.038 0.000 0.989 136 E CA 1.149 57.543 56.400 -0.010 0.000 0.800 136 E CB -0.194 29.501 29.700 -0.010 0.000 0.746 136 E HN 0.197 nan 8.360 nan 0.000 0.452 137 M N -0.506 119.068 119.600 -0.043 0.000 2.175 137 M HA -0.059 4.421 4.480 -0.000 0.000 0.264 137 M C 1.892 178.081 176.300 -0.185 0.000 1.063 137 M CA 1.147 56.341 55.300 -0.176 0.000 1.119 137 M CB -0.340 32.061 32.600 -0.332 0.000 1.377 137 M HN 0.079 nan 8.290 nan 0.000 0.415 138 V N 0.627 120.514 119.914 -0.045 0.000 2.343 138 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 138 V C 1.937 178.015 176.094 -0.026 0.000 1.051 138 V CA 2.116 64.417 62.300 0.001 0.000 1.036 138 V CB -0.985 30.883 31.823 0.074 0.000 0.654 138 V HN 0.417 nan 8.190 nan 0.000 0.451 139 D N -0.476 119.905 120.400 -0.031 0.000 2.144 139 D HA -0.154 4.486 4.640 -0.000 0.000 0.200 139 D C 2.286 178.552 176.300 -0.057 0.000 0.978 139 D CA 1.158 55.135 54.000 -0.039 0.000 0.833 139 D CB -0.255 40.520 40.800 -0.043 0.000 0.961 139 D HN 0.332 nan 8.370 nan 0.000 0.470 140 R N 0.421 120.875 120.500 -0.077 0.000 2.083 140 R HA -0.084 4.256 4.340 -0.000 0.000 0.237 140 R C 2.410 178.667 176.300 -0.072 0.000 1.137 140 R CA 0.979 57.029 56.100 -0.084 0.000 0.951 140 R CB -0.272 29.960 30.300 -0.114 0.000 0.851 140 R HN 0.152 nan 8.270 nan 0.000 0.434 141 I N 0.241 120.758 120.570 -0.090 0.000 2.226 141 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 141 I C 2.502 178.610 176.117 -0.014 0.000 1.100 141 I CA 1.303 62.569 61.300 -0.058 0.000 1.374 141 I CB -0.250 37.705 38.000 -0.074 0.000 1.057 141 I HN 0.203 nan 8.210 nan 0.000 0.413 142 R N 0.742 121.234 120.500 -0.013 0.000 2.091 142 R HA -0.158 4.182 4.340 -0.000 0.000 0.238 142 R C 2.455 178.756 176.300 0.003 0.000 1.136 142 R CA 1.551 57.652 56.100 0.002 0.000 0.959 142 R CB -0.497 29.803 30.300 -0.001 0.000 0.856 142 R HN 0.379 nan 8.270 nan 0.000 0.437 143 A N 1.154 123.966 122.820 -0.013 0.000 1.902 143 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 143 A C 2.363 179.956 177.584 0.015 0.000 1.181 143 A CA 1.640 53.671 52.037 -0.009 0.000 0.623 143 A CB -0.608 18.370 19.000 -0.036 0.000 0.818 143 A HN 0.400 nan 8.150 nan 0.000 0.443 144 A N -0.577 122.254 122.820 0.018 0.000 1.873 144 A HA 0.020 4.340 4.320 -0.000 0.000 0.215 144 A C 2.224 179.849 177.584 0.067 0.000 1.186 144 A CA 1.766 53.831 52.037 0.047 0.000 0.616 144 A CB -0.922 18.108 19.000 0.050 0.000 0.823 144 A HN 0.387 nan 8.150 nan 0.000 0.442 145 V N 0.569 120.518 119.914 0.058 0.000 2.358 145 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 145 V C 2.303 178.432 176.094 0.058 0.000 1.047 145 V CA 2.443 64.784 62.300 0.068 0.000 1.035 145 V CB -0.857 30.999 31.823 0.055 0.000 0.658 145 V HN 0.754 nan 8.190 nan 0.000 0.452 146 D N 0.426 120.852 120.400 0.042 0.000 2.218 146 D HA -0.128 4.512 4.640 -0.000 0.000 0.204 146 D C 1.930 178.251 176.300 0.035 0.000 0.976 146 D CA 1.260 55.282 54.000 0.036 0.000 0.853 146 D CB -0.079 40.739 40.800 0.031 0.000 0.939 146 D HN 0.408 nan 8.370 nan 0.000 0.481 147 A N -0.135 122.706 122.820 0.035 0.000 2.167 147 A HA 0.023 4.343 4.320 -0.000 0.000 0.214 147 A C 0.869 178.452 177.584 -0.001 0.000 1.151 147 A CA 0.031 52.080 52.037 0.020 0.000 0.735 147 A CB -0.264 18.748 19.000 0.020 0.000 0.802 147 A HN 0.111 nan 8.150 nan 0.000 0.467 148 K N 1.034 121.450 120.400 0.027 0.000 2.466 148 K HA 0.074 4.394 4.320 -0.000 0.000 0.278 148 K C 1.086 177.680 176.600 -0.009 0.000 1.048 148 K CA 0.765 57.066 56.287 0.023 0.000 1.088 148 K CB 0.396 32.959 32.500 0.105 0.000 0.884 148 K HN 0.493 nan 8.250 nan 0.000 0.478 149 T N -1.832 112.685 114.554 -0.061 0.000 3.037 149 T HA -0.028 4.322 4.350 -0.000 0.000 0.251 149 T C 0.256 174.940 174.700 -0.027 0.000 1.079 149 T CA -0.024 62.046 62.100 -0.049 0.000 1.067 149 T CB 0.223 69.043 68.868 -0.080 0.000 0.948 149 T HN 0.433 nan 8.240 nan 0.000 0.496 150 D N 2.270 122.662 120.400 -0.012 0.000 2.471 150 D HA 0.315 4.955 4.640 -0.000 0.000 0.245 150 D C -1.728 174.625 176.300 0.088 0.000 1.116 150 D CA -2.636 51.383 54.000 0.032 0.000 0.853 150 D CB 2.337 43.159 40.800 0.037 0.000 1.123 150 D HN -0.088 nan 8.370 nan 0.000 0.540 151 P HA -0.126 nan 4.420 nan 0.000 0.218 151 P C 0.372 177.728 177.300 0.092 0.000 1.146 151 P CA 0.911 64.055 63.100 0.074 0.000 0.813 151 P CB 0.580 32.309 31.700 0.048 0.000 0.778 152 D N -1.498 118.958 120.400 0.094 0.000 2.349 152 D HA 0.017 4.657 4.640 -0.000 0.000 0.215 152 D C 0.611 176.985 176.300 0.123 0.000 1.016 152 D CA -0.123 53.931 54.000 0.090 0.000 0.870 152 D CB -0.322 40.513 40.800 0.059 0.000 0.917 152 D HN 0.153 nan 8.370 nan 0.000 0.524 153 F N 1.873 121.827 119.950 0.006 0.000 2.563 153 F HA 0.029 4.556 4.527 -0.000 0.000 0.363 153 F C 0.101 175.909 175.800 0.013 0.000 1.123 153 F CA -0.284 57.714 58.000 -0.003 0.000 1.307 153 F CB 0.687 39.679 39.000 -0.014 0.000 1.115 153 F HN -0.378 nan 8.300 nan 0.000 0.592 154 V N 7.400 126.902 119.914 -0.686 0.000 2.394 154 V HA 0.247 4.367 4.120 -0.000 0.000 0.282 154 V C 0.006 175.835 176.094 -0.442 0.000 1.031 154 V CA -0.771 61.283 62.300 -0.410 0.000 0.881 154 V CB 1.203 32.858 31.823 -0.280 0.000 0.982 154 V HN 0.420 nan 8.190 nan 0.000 0.451 155 I N 6.011 126.507 120.570 -0.123 0.000 2.330 155 I HA 0.381 4.551 4.170 -0.000 0.000 0.286 155 I C -0.028 176.096 176.117 0.012 0.000 1.025 155 I CA -0.031 61.255 61.300 -0.023 0.000 1.197 155 I CB 1.153 39.193 38.000 0.067 0.000 1.358 155 I HN 0.640 nan 8.210 nan 0.000 0.467 156 M N 5.935 125.552 119.600 0.029 0.000 2.238 156 M HA 0.668 5.148 4.480 -0.000 0.000 0.350 156 M C -0.567 175.810 176.300 0.128 0.000 1.138 156 M CA -0.439 54.922 55.300 0.101 0.000 1.040 156 M CB 1.655 34.343 32.600 0.147 0.000 1.639 156 M HN 0.606 nan 8.290 nan 0.000 0.451 157 A N 5.335 128.226 122.820 0.119 0.000 2.301 157 A HA 0.656 4.976 4.320 -0.000 0.000 0.312 157 A C -0.723 176.922 177.584 0.102 0.000 1.182 157 A CA -0.750 51.335 52.037 0.080 0.000 0.826 157 A CB 0.748 19.795 19.000 0.079 0.000 1.134 157 A HN 0.969 nan 8.150 nan 0.000 0.501 158 R N 1.208 121.704 120.500 -0.007 0.000 2.562 158 R HA 0.616 4.955 4.340 -0.000 0.000 0.298 158 R C -1.124 175.129 176.300 -0.078 0.000 0.961 158 R CA -0.110 55.892 56.100 -0.163 0.000 0.881 158 R CB 1.689 31.632 30.300 -0.594 0.000 1.159 158 R HN 0.650 nan 8.270 nan 0.000 0.450 159 T N 1.780 116.312 114.554 -0.036 0.000 2.824 159 T HA 0.280 4.630 4.350 -0.000 0.000 0.282 159 T C -0.835 173.841 174.700 -0.039 0.000 0.993 159 T CA -0.667 61.478 62.100 0.076 0.000 0.967 159 T CB 1.170 70.162 68.868 0.207 0.000 0.960 159 T HN 0.647 nan 8.240 nan 0.000 0.441 160 D N 3.478 123.864 120.400 -0.023 0.000 2.525 160 D HA 0.356 4.996 4.640 -0.000 0.000 0.229 160 D C 1.553 177.859 176.300 0.010 0.000 1.202 160 D CA -0.102 53.876 54.000 -0.036 0.000 0.828 160 D CB 0.415 41.181 40.800 -0.058 0.000 1.008 160 D HN 0.578 nan 8.370 nan 0.000 0.493 161 A N 0.226 123.071 122.820 0.042 0.000 2.066 161 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 161 A C 1.947 179.559 177.584 0.047 0.000 1.157 161 A CA 0.503 52.570 52.037 0.050 0.000 0.670 161 A CB -0.287 18.749 19.000 0.061 0.000 0.804 161 A HN 0.307 nan 8.150 nan 0.000 0.453 162 L N 0.173 121.431 121.223 0.059 0.000 1.990 162 L HA -0.181 4.159 4.340 -0.000 0.000 0.213 162 L C 2.601 179.491 176.870 0.035 0.000 1.072 162 L CA 2.459 57.334 54.840 0.058 0.000 0.755 162 L CB -0.877 41.222 42.059 0.066 0.000 0.889 162 L HN 0.335 nan 8.230 nan 0.000 0.432 163 A N -1.330 121.507 122.820 0.027 0.000 2.019 163 A HA -0.095 4.224 4.320 -0.000 0.000 0.219 163 A C 1.974 179.570 177.584 0.020 0.000 1.164 163 A CA 2.078 54.128 52.037 0.022 0.000 0.644 163 A CB -0.836 18.176 19.000 0.019 0.000 0.805 163 A HN 0.600 nan 8.150 nan 0.000 0.449 164 V N -5.134 114.793 119.914 0.021 0.000 3.556 164 V HA 0.337 4.457 4.120 -0.000 0.000 0.287 164 V C 0.858 176.963 176.094 0.018 0.000 1.422 164 V CA 0.828 63.140 62.300 0.020 0.000 1.038 164 V CB 0.027 31.863 31.823 0.021 0.000 0.850 164 V HN 0.430 nan 8.190 nan 0.000 0.437 165 E N 0.710 120.921 120.200 0.019 0.000 2.633 165 E HA 0.486 4.836 4.350 -0.000 0.000 0.222 165 E C 0.954 177.558 176.600 0.007 0.000 0.899 165 E CA 0.433 56.841 56.400 0.013 0.000 1.292 165 E CB 1.605 31.314 29.700 0.014 0.000 1.257 165 E HN 0.780 nan 8.360 nan 0.000 0.626 166 G N 1.429 110.237 108.800 0.013 0.000 2.707 166 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.686 166 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.686 166 G C 0.168 175.072 174.900 0.006 0.000 1.315 166 G CA -0.239 44.865 45.100 0.007 0.000 0.832 166 G HN 0.072 nan 8.290 nan 0.000 0.573 167 L N 0.188 121.406 121.223 -0.008 0.000 1.970 167 L HA 0.037 4.377 4.340 -0.000 0.000 0.212 167 L C 2.518 179.329 176.870 -0.099 0.000 1.071 167 L CA 3.190 58.009 54.840 -0.034 0.000 0.751 167 L CB -0.818 41.206 42.059 -0.060 0.000 0.889 167 L HN 0.681 nan 8.230 nan 0.000 0.432 168 D N -0.156 120.186 120.400 -0.098 0.000 2.133 168 D HA -0.209 4.431 4.640 -0.000 0.000 0.195 168 D C 2.159 178.398 176.300 -0.101 0.000 0.997 168 D CA 1.652 55.583 54.000 -0.115 0.000 0.840 168 D CB -0.312 40.439 40.800 -0.082 0.000 0.947 168 D HN 0.538 nan 8.370 nan 0.000 0.452 169 A N 0.720 123.503 122.820 -0.062 0.000 1.898 169 A HA 0.025 4.345 4.320 -0.000 0.000 0.216 169 A C 2.301 179.856 177.584 -0.049 0.000 1.181 169 A CA 2.034 54.042 52.037 -0.048 0.000 0.620 169 A CB -0.676 18.311 19.000 -0.022 0.000 0.819 169 A HN 0.233 nan 8.150 nan 0.000 0.442 170 A N 0.020 122.834 122.820 -0.010 0.000 1.902 170 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 170 A C 2.107 179.728 177.584 0.061 0.000 1.181 170 A CA 1.520 53.605 52.037 0.080 0.000 0.623 170 A CB -0.580 18.570 19.000 0.250 0.000 0.818 170 A HN 0.500 nan 8.150 nan 0.000 0.443 171 I N -0.793 119.678 120.570 -0.165 0.000 2.252 171 I HA -0.232 3.937 4.170 -0.000 0.000 0.245 171 I C 2.572 178.588 176.117 -0.169 0.000 1.102 171 I CA 1.672 62.776 61.300 -0.326 0.000 1.385 171 I CB -0.356 37.342 38.000 -0.504 0.000 1.064 171 I HN 0.524 nan 8.210 nan 0.000 0.414 172 E N 1.368 121.478 120.200 -0.150 0.000 2.085 172 E HA -0.253 4.096 4.350 -0.000 0.000 0.194 172 E C 2.379 178.871 176.600 -0.179 0.000 0.994 172 E CA 1.291 57.614 56.400 -0.128 0.000 0.801 172 E CB 0.076 29.718 29.700 -0.097 0.000 0.743 172 E HN 0.370 nan 8.360 nan 0.000 0.453 173 R N 0.011 120.359 120.500 -0.253 0.000 2.073 173 R HA -0.126 4.213 4.340 -0.000 0.000 0.234 173 R C 2.486 178.241 176.300 -0.908 0.000 1.134 173 R CA 1.221 56.981 56.100 -0.567 0.000 0.952 173 R CB -0.396 29.569 30.300 -0.557 0.000 0.850 173 R HN 0.185 nan 8.270 nan 0.000 0.433 174 A N 1.280 123.809 122.820 -0.485 0.000 1.892 174 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 174 A C 2.075 179.611 177.584 -0.080 0.000 1.188 174 A CA 1.636 53.556 52.037 -0.195 0.000 0.631 174 A CB -0.567 18.551 19.000 0.198 0.000 0.822 174 A HN 0.395 nan 8.150 nan 0.000 0.447 175 Q N -0.870 118.885 119.800 -0.074 0.000 2.124 175 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 175 Q C 2.396 178.398 176.000 0.004 0.000 0.977 175 Q CA 1.366 57.159 55.803 -0.016 0.000 0.850 175 Q CB -0.384 28.334 28.738 -0.032 0.000 0.901 175 Q HN 0.706 nan 8.270 nan 0.000 0.429 176 A N 0.225 123.021 122.820 -0.041 0.000 1.930 176 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 176 A C 1.636 179.346 177.584 0.209 0.000 1.175 176 A CA 0.979 53.048 52.037 0.053 0.000 0.627 176 A CB -0.545 18.476 19.000 0.036 0.000 0.815 176 A HN 0.316 nan 8.150 nan 0.000 0.443 177 Y N -0.118 120.209 120.300 0.045 0.000 2.200 177 Y HA -0.112 4.438 4.550 -0.000 0.000 0.290 177 Y C 2.655 178.583 175.900 0.047 0.000 1.137 177 Y CA 0.652 58.779 58.100 0.044 0.000 1.163 177 Y CB -1.219 37.271 38.460 0.051 0.000 0.988 177 Y HN 0.108 nan 8.280 nan 0.000 0.518 178 V N -0.047 119.996 119.914 0.215 0.000 2.358 178 V HA -0.180 3.940 4.120 -0.000 0.000 0.246 178 V C 2.418 178.575 176.094 0.104 0.000 1.047 178 V CA 1.824 64.207 62.300 0.139 0.000 1.035 178 V CB -0.412 31.478 31.823 0.113 0.000 0.658 178 V HN 0.238 nan 8.190 nan 0.000 0.452 179 E N 0.497 120.754 120.200 0.094 0.000 2.204 179 E HA -0.169 4.180 4.350 -0.000 0.000 0.195 179 E C 2.151 178.795 176.600 0.072 0.000 0.990 179 E CA 1.323 57.765 56.400 0.070 0.000 0.821 179 E CB -0.110 29.624 29.700 0.057 0.000 0.750 179 E HN 0.561 nan 8.360 nan 0.000 0.477 180 A N -0.759 122.118 122.820 0.094 0.000 2.119 180 A HA 0.186 4.506 4.320 -0.000 0.000 0.216 180 A C 1.717 179.339 177.584 0.062 0.000 1.152 180 A CA 1.432 53.516 52.037 0.077 0.000 0.708 180 A CB 0.071 19.125 19.000 0.091 0.000 0.805 180 A HN 0.349 nan 8.150 nan 0.000 0.460 181 G N -2.606 106.237 108.800 0.071 0.000 2.425 181 G HA2 0.241 4.201 3.960 -0.000 0.000 0.177 181 G HA3 0.241 4.201 3.960 -0.000 0.000 0.177 181 G C 0.388 175.329 174.900 0.068 0.000 0.999 181 G CA -0.046 45.090 45.100 0.061 0.000 0.723 181 G HN 1.368 nan 8.290 nan 0.000 0.491 182 A N 0.613 123.484 122.820 0.084 0.000 2.546 182 A HA 0.535 4.855 4.320 -0.000 0.000 0.243 182 A C 1.069 178.705 177.584 0.086 0.000 1.063 182 A CA 1.271 53.361 52.037 0.090 0.000 0.757 182 A CB 0.138 19.216 19.000 0.130 0.000 0.991 182 A HN 0.487 nan 8.150 nan 0.000 0.503 183 E N 1.542 121.787 120.200 0.074 0.000 2.340 183 E HA 0.111 4.461 4.350 -0.000 0.000 0.194 183 E C 0.025 176.671 176.600 0.078 0.000 0.996 183 E CA 0.661 57.102 56.400 0.068 0.000 0.869 183 E CB 0.140 29.872 29.700 0.055 0.000 0.835 183 E HN 0.813 nan 8.360 nan 0.000 0.493 184 M N 0.543 120.198 119.600 0.091 0.000 2.569 184 M HA 0.388 4.868 4.480 -0.000 0.000 0.279 184 M C -1.620 174.752 176.300 0.119 0.000 1.253 184 M CA -1.032 54.327 55.300 0.099 0.000 0.867 184 M CB 2.624 35.290 32.600 0.110 0.000 1.727 184 M HN -0.099 nan 8.290 nan 0.000 0.467 185 L N 1.585 122.877 121.223 0.115 0.000 2.365 185 L HA 0.631 4.971 4.340 -0.000 0.000 0.273 185 L C -1.939 175.011 176.870 0.133 0.000 1.000 185 L CA -0.142 54.778 54.840 0.133 0.000 0.819 185 L CB 1.727 43.864 42.059 0.130 0.000 1.284 185 L HN 0.669 nan 8.230 nan 0.000 0.418 186 F N 6.831 126.739 119.950 -0.070 0.000 2.552 186 F HA 0.553 5.080 4.527 -0.000 0.000 0.369 186 F C -2.390 173.297 175.800 -0.188 0.000 1.112 186 F CA -2.358 55.558 58.000 -0.140 0.000 1.129 186 F CB 1.564 40.450 39.000 -0.191 0.000 1.360 186 F HN 0.391 nan 8.300 nan 0.000 0.473 187 P HA 0.109 nan 4.420 nan 0.000 0.284 187 P C -0.674 176.662 177.300 0.060 0.000 1.343 187 P CA -0.028 62.928 63.100 -0.240 0.000 0.826 187 P CB 0.878 31.997 31.700 -0.968 0.000 0.956 188 E N 3.137 123.332 120.200 -0.009 0.000 2.373 188 E HA 0.283 4.633 4.350 -0.000 0.000 0.267 188 E C 0.726 177.355 176.600 0.048 0.000 1.032 188 E CA 0.079 56.510 56.400 0.052 0.000 0.889 188 E CB 0.463 30.070 29.700 -0.154 0.000 0.984 188 E HN 0.535 nan 8.360 nan 0.000 0.425 189 A N 3.846 126.726 122.820 0.100 0.000 2.745 189 A HA -0.194 4.125 4.320 -0.000 0.000 0.296 189 A C 0.397 178.003 177.584 0.037 0.000 1.500 189 A CA 0.276 52.355 52.037 0.070 0.000 0.766 189 A CB -1.769 17.258 19.000 0.046 0.000 1.030 189 A HN 0.360 nan 8.150 nan 0.000 0.489 190 I N 0.968 121.540 120.570 0.004 0.000 2.618 190 I HA 0.077 4.247 4.170 -0.000 0.000 0.284 190 I C 1.926 178.042 176.117 -0.001 0.000 1.146 190 I CA 1.265 62.496 61.300 -0.115 0.000 1.425 190 I CB 0.718 38.375 38.000 -0.571 0.000 1.383 190 I HN 0.697 nan 8.210 nan 0.000 0.562 191 T N 2.088 116.650 114.554 0.014 0.000 3.037 191 T HA 0.225 4.575 4.350 -0.000 0.000 0.251 191 T C 0.516 175.310 174.700 0.156 0.000 1.079 191 T CA 0.017 62.163 62.100 0.078 0.000 1.067 191 T CB 0.260 69.156 68.868 0.048 0.000 0.948 191 T HN 0.591 nan 8.240 nan 0.000 0.496 192 E N 0.151 120.411 120.200 0.101 0.000 2.272 192 E HA 0.455 4.805 4.350 -0.000 0.000 0.269 192 E C -0.008 176.585 176.600 -0.012 0.000 0.877 192 E CA -0.717 55.761 56.400 0.131 0.000 0.755 192 E CB 2.450 32.181 29.700 0.052 0.000 1.192 192 E HN -0.075 nan 8.360 nan 0.000 0.422 193 L N 2.918 124.084 121.223 -0.096 0.000 2.043 193 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 193 L C 2.063 178.859 176.870 -0.124 0.000 1.075 193 L CA 2.572 57.193 54.840 -0.364 0.000 0.752 193 L CB -0.567 41.191 42.059 -0.501 0.000 0.891 193 L HN 0.804 nan 8.230 nan 0.000 0.432 194 A N -1.083 121.689 122.820 -0.080 0.000 2.024 194 A HA -0.263 4.057 4.320 -0.000 0.000 0.220 194 A C 2.253 179.813 177.584 -0.040 0.000 1.164 194 A CA 2.107 54.111 52.037 -0.056 0.000 0.643 194 A CB -0.590 18.383 19.000 -0.045 0.000 0.806 194 A HN 0.570 nan 8.150 nan 0.000 0.451 195 M N -2.162 117.403 119.600 -0.058 0.000 2.159 195 M HA -0.153 4.327 4.480 -0.000 0.000 0.263 195 M C 2.045 178.409 176.300 0.106 0.000 1.063 195 M CA 1.482 56.764 55.300 -0.029 0.000 1.110 195 M CB -0.520 32.041 32.600 -0.064 0.000 1.374 195 M HN 0.515 nan 8.290 nan 0.000 0.411 196 Y N 0.110 120.472 120.300 0.104 0.000 2.181 196 Y HA -0.236 4.314 4.550 -0.000 0.000 0.288 196 Y C 2.656 178.613 175.900 0.095 0.000 1.146 196 Y CA 1.588 59.752 58.100 0.106 0.000 1.164 196 Y CB -0.689 37.746 38.460 -0.043 0.000 0.982 196 Y HN 0.155 nan 8.280 nan 0.000 0.515 197 R N 0.820 121.409 120.500 0.149 0.000 2.081 197 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 197 R C 1.965 178.283 176.300 0.030 0.000 1.131 197 R CA 1.760 57.874 56.100 0.023 0.000 0.960 197 R CB -0.601 29.639 30.300 -0.100 0.000 0.856 197 R HN 0.435 nan 8.270 nan 0.000 0.436 198 Q N -1.201 118.604 119.800 0.009 0.000 2.084 198 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 198 Q C 1.969 177.922 176.000 -0.078 0.000 0.978 198 Q CA 1.846 57.602 55.803 -0.077 0.000 0.844 198 Q CB -0.189 28.446 28.738 -0.172 0.000 0.898 198 Q HN 0.335 nan 8.270 nan 0.000 0.426 199 F N 0.302 120.258 119.950 0.010 0.000 2.146 199 F HA -0.186 4.341 4.527 -0.000 0.000 0.298 199 F C 2.398 178.226 175.800 0.045 0.000 1.096 199 F CA 0.939 58.957 58.000 0.029 0.000 1.275 199 F CB -0.397 38.640 39.000 0.062 0.000 1.008 199 F HN 0.075 nan 8.300 nan 0.000 0.480 200 A N 0.078 123.051 122.820 0.254 0.000 1.865 200 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 200 A C 1.927 179.588 177.584 0.129 0.000 1.191 200 A CA 2.190 54.336 52.037 0.182 0.000 0.623 200 A CB -0.886 18.230 19.000 0.192 0.000 0.826 200 A HN 0.297 nan 8.150 nan 0.000 0.444 201 D N -0.190 120.264 120.400 0.090 0.000 2.264 201 D HA 0.026 4.666 4.640 -0.000 0.000 0.208 201 D C 2.012 178.330 176.300 0.031 0.000 0.966 201 D CA 1.260 55.293 54.000 0.056 0.000 0.864 201 D CB -0.227 40.583 40.800 0.017 0.000 0.933 201 D HN 0.471 nan 8.370 nan 0.000 0.499 202 A N 0.449 123.282 122.820 0.020 0.000 1.975 202 A HA -0.011 4.309 4.320 -0.000 0.000 0.215 202 A C 2.249 179.852 177.584 0.032 0.000 1.170 202 A CA 1.118 53.154 52.037 -0.003 0.000 0.656 202 A CB -0.043 18.915 19.000 -0.071 0.000 0.821 202 A HN 0.222 nan 8.150 nan 0.000 0.449 203 V N -4.583 115.376 119.914 0.075 0.000 3.523 203 V HA 0.184 4.304 4.120 -0.000 0.000 0.255 203 V C 1.079 177.215 176.094 0.071 0.000 1.226 203 V CA 0.954 63.303 62.300 0.082 0.000 1.092 203 V CB -0.496 31.401 31.823 0.124 0.000 0.817 203 V HN 0.608 nan 8.190 nan 0.000 0.458 204 Q N 0.571 120.413 119.800 0.069 0.000 2.481 204 Q HA -0.201 4.139 4.340 -0.000 0.000 0.258 204 Q C -0.208 175.823 176.000 0.051 0.000 0.961 204 Q CA 0.859 56.694 55.803 0.054 0.000 1.121 204 Q CB -1.341 27.421 28.738 0.040 0.000 1.503 204 Q HN 1.264 nan 8.270 nan 0.000 0.544 205 V N -3.863 116.090 119.914 0.065 0.000 3.001 205 V HA 0.831 4.951 4.120 -0.000 0.000 0.314 205 V C -2.515 173.613 176.094 0.056 0.000 1.099 205 V CA -2.220 60.115 62.300 0.058 0.000 0.989 205 V CB 1.631 33.497 31.823 0.072 0.000 1.040 205 V HN -0.006 nan 8.190 nan 0.000 0.434 206 P HA 0.203 nan 4.420 nan 0.000 0.262 206 P C -0.766 176.553 177.300 0.031 0.000 1.182 206 P CA 0.371 63.484 63.100 0.021 0.000 0.761 206 P CB 0.086 31.793 31.700 0.012 0.000 0.795 207 I N 3.982 124.557 120.570 0.008 0.000 2.377 207 I HA 0.359 4.529 4.170 -0.000 0.000 0.293 207 I C 0.225 176.281 176.117 -0.102 0.000 0.987 207 I CA -0.664 60.634 61.300 -0.004 0.000 1.185 207 I CB 1.185 39.212 38.000 0.045 0.000 1.341 207 I HN 0.299 nan 8.210 nan 0.000 0.455 208 L N 5.671 126.803 121.223 -0.151 0.000 2.317 208 L HA 0.790 5.130 4.340 -0.000 0.000 0.281 208 L C -0.269 176.344 176.870 -0.429 0.000 1.024 208 L CA -0.412 54.232 54.840 -0.326 0.000 0.810 208 L CB 1.578 43.385 42.059 -0.420 0.000 1.240 208 L HN 0.732 nan 8.230 nan 0.000 0.427 209 A N 3.402 125.909 122.820 -0.523 0.000 2.273 209 A HA 0.369 4.689 4.320 -0.000 0.000 0.315 209 A C -0.684 176.624 177.584 -0.460 0.000 1.256 209 A CA -0.628 51.104 52.037 -0.509 0.000 0.851 209 A CB 0.544 18.991 19.000 -0.922 0.000 1.172 209 A HN 0.723 nan 8.150 nan 0.000 0.508 210 N N 3.208 121.705 118.700 -0.338 0.000 2.508 210 N HA 0.119 4.859 4.740 -0.000 0.000 0.253 210 N C -0.272 175.159 175.510 -0.132 0.000 1.145 210 N CA -0.407 52.456 53.050 -0.312 0.000 0.973 210 N CB 0.012 38.448 38.487 -0.084 0.000 1.305 210 N HN 0.440 nan 8.380 nan 0.000 0.506 211 I N 2.424 122.850 120.570 -0.239 0.000 2.293 211 I HA 0.051 4.221 4.170 -0.000 0.000 0.280 211 I C 1.170 177.260 176.117 -0.045 0.000 1.075 211 I CA -0.012 61.221 61.300 -0.111 0.000 1.702 211 I CB -1.621 36.305 38.000 -0.123 0.000 1.477 211 I HN 0.374 nan 8.210 nan 0.000 0.733 212 T N 3.026 117.563 114.554 -0.028 0.000 2.874 212 T HA 0.305 4.655 4.350 -0.000 0.000 0.281 212 T C 0.366 175.023 174.700 -0.071 0.000 0.994 212 T CA -0.469 61.627 62.100 -0.006 0.000 1.015 212 T CB 1.190 70.084 68.868 0.044 0.000 1.028 212 T HN 0.526 nan 8.240 nan 0.000 0.523 213 E N 1.808 121.898 120.200 -0.183 0.000 2.232 213 E HA 0.293 4.643 4.350 -0.000 0.000 0.265 213 E C -0.360 176.037 176.600 -0.339 0.000 1.001 213 E CA -0.834 55.297 56.400 -0.448 0.000 0.870 213 E CB 0.361 29.512 29.700 -0.915 0.000 1.175 213 E HN 0.659 nan 8.360 nan 0.000 0.407 214 F N -1.497 118.470 119.950 0.028 0.000 2.988 214 F HA -0.143 4.384 4.527 -0.000 0.000 0.287 214 F C 0.634 176.451 175.800 0.028 0.000 0.781 214 F CA 1.067 59.082 58.000 0.025 0.000 1.221 214 F CB -1.894 37.126 39.000 0.033 0.000 1.392 214 F HN 0.709 nan 8.300 nan 0.000 0.425 215 G N -0.967 107.915 108.800 0.136 0.000 3.107 215 G HA2 0.704 4.664 3.960 -0.000 0.000 0.232 215 G HA3 0.704 4.664 3.960 -0.000 0.000 0.232 215 G C 0.755 175.692 174.900 0.063 0.000 1.339 215 G CA -0.121 45.039 45.100 0.100 0.000 1.033 215 G HN 0.456 nan 8.290 nan 0.000 0.567 216 A N -1.127 121.725 122.820 0.054 0.000 2.066 216 A HA 0.276 4.596 4.320 -0.000 0.000 0.218 216 A C 1.306 178.905 177.584 0.025 0.000 1.157 216 A CA 1.176 53.236 52.037 0.039 0.000 0.670 216 A CB -0.467 18.558 19.000 0.042 0.000 0.804 216 A HN 0.466 nan 8.150 nan 0.000 0.453 217 T N 2.513 117.082 114.554 0.025 0.000 2.817 217 T HA 0.451 4.801 4.350 -0.000 0.000 0.293 217 T C -2.441 172.166 174.700 -0.155 0.000 0.964 217 T CA -0.884 61.222 62.100 0.009 0.000 1.085 217 T CB 1.233 70.167 68.868 0.110 0.000 0.921 217 T HN 0.102 nan 8.240 nan 0.000 0.502 218 P HA 0.160 nan 4.420 nan 0.000 0.271 218 P C -0.291 176.611 177.300 -0.663 0.000 1.244 218 P CA -0.460 62.262 63.100 -0.629 0.000 0.793 218 P CB 0.446 31.540 31.700 -1.011 0.000 0.984 219 L N 1.575 122.548 121.223 -0.418 0.000 2.423 219 L HA 0.234 4.574 4.340 -0.000 0.000 0.249 219 L C 0.070 176.853 176.870 -0.145 0.000 1.276 219 L CA -0.285 54.429 54.840 -0.211 0.000 1.199 219 L CB -1.240 40.753 42.059 -0.110 0.000 1.407 219 L HN 0.292 nan 8.230 nan 0.000 0.410 220 F N 0.532 120.516 119.950 0.056 0.000 2.518 220 F HA 0.055 4.582 4.527 -0.000 0.000 0.359 220 F C 1.633 177.464 175.800 0.051 0.000 1.118 220 F CA -0.398 57.633 58.000 0.050 0.000 1.287 220 F CB 0.701 39.731 39.000 0.051 0.000 1.132 220 F HN 0.334 nan 8.300 nan 0.000 0.587 221 T N -1.996 112.707 114.554 0.249 0.000 2.849 221 T HA 0.131 4.481 4.350 -0.000 0.000 0.284 221 T C 1.317 176.093 174.700 0.126 0.000 1.004 221 T CA -0.186 62.005 62.100 0.152 0.000 1.021 221 T CB 1.296 70.226 68.868 0.103 0.000 1.013 221 T HN 0.736 nan 8.240 nan 0.000 0.527 222 T N -1.090 113.525 114.554 0.101 0.000 2.833 222 T HA -0.142 4.208 4.350 -0.000 0.000 0.269 222 T C 1.298 176.016 174.700 0.030 0.000 1.054 222 T CA 1.336 63.476 62.100 0.066 0.000 1.135 222 T CB -0.598 68.309 68.868 0.065 0.000 0.869 222 T HN 0.628 nan 8.240 nan 0.000 0.466 223 D N 1.582 122.003 120.400 0.035 0.000 2.117 223 D HA -0.056 4.584 4.640 -0.000 0.000 0.198 223 D C 2.283 178.592 176.300 0.015 0.000 0.982 223 D CA 1.162 55.175 54.000 0.022 0.000 0.828 223 D CB -0.229 40.585 40.800 0.025 0.000 0.967 223 D HN 0.628 nan 8.370 nan 0.000 0.464 224 E N 0.361 120.579 120.200 0.030 0.000 2.077 224 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 224 E C 2.403 178.961 176.600 -0.070 0.000 0.989 224 E CA 0.469 56.870 56.400 0.001 0.000 0.800 224 E CB -0.080 29.660 29.700 0.066 0.000 0.746 224 E HN 0.255 nan 8.360 nan 0.000 0.452 225 L N 0.574 121.755 121.223 -0.071 0.000 2.093 225 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 225 L C 2.747 179.565 176.870 -0.086 0.000 1.085 225 L CA 0.977 55.729 54.840 -0.146 0.000 0.755 225 L CB -0.367 41.594 42.059 -0.164 0.000 0.904 225 L HN 0.071 nan 8.230 nan 0.000 0.435 226 R N 0.477 120.954 120.500 -0.038 0.000 2.073 226 R HA -0.193 4.147 4.340 -0.000 0.000 0.234 226 R C 2.594 178.924 176.300 0.049 0.000 1.134 226 R CA 1.891 57.988 56.100 -0.005 0.000 0.952 226 R CB -0.238 30.059 30.300 -0.004 0.000 0.850 226 R HN 0.451 nan 8.270 nan 0.000 0.433 227 S N -0.297 115.418 115.700 0.024 0.000 2.419 227 S HA -0.083 4.386 4.470 -0.000 0.000 0.235 227 S C 1.743 176.346 174.600 0.005 0.000 1.019 227 S CA 1.020 59.240 58.200 0.033 0.000 0.982 227 S CB -0.042 63.155 63.200 -0.005 0.000 0.789 227 S HN 0.443 nan 8.310 nan 0.000 0.490 228 A N 0.060 122.866 122.820 -0.024 0.000 2.307 228 A HA 0.325 4.645 4.320 -0.000 0.000 0.218 228 A C 0.544 178.148 177.584 0.033 0.000 1.228 228 A CA 0.048 52.046 52.037 -0.064 0.000 0.857 228 A CB -0.938 18.024 19.000 -0.063 0.000 0.897 228 A HN 0.766 nan 8.150 nan 0.000 0.495 229 H N -2.149 116.897 119.070 -0.041 0.000 2.936 229 H HA -0.134 4.422 4.556 -0.000 0.000 0.276 229 H C -0.430 174.866 175.328 -0.053 0.000 1.216 229 H CA -0.004 56.024 56.048 -0.034 0.000 1.132 229 H CB -1.890 27.868 29.762 -0.007 0.000 1.303 229 H HN 0.268 nan 8.280 nan 0.000 0.370 230 V N 0.684 120.598 119.914 -0.000 0.000 2.555 230 V HA 0.184 4.304 4.120 -0.000 0.000 0.286 230 V C 1.390 177.419 176.094 -0.108 0.000 1.044 230 V CA 1.027 63.256 62.300 -0.118 0.000 1.026 230 V CB 1.433 33.073 31.823 -0.305 0.000 0.981 230 V HN 0.536 nan 8.190 nan 0.000 0.480 231 A N 5.626 128.383 122.820 -0.104 0.000 1.975 231 A HA 0.311 4.631 4.320 -0.000 0.000 0.215 231 A C 0.828 178.334 177.584 -0.129 0.000 1.170 231 A CA 0.780 52.756 52.037 -0.101 0.000 0.656 231 A CB 0.039 18.993 19.000 -0.076 0.000 0.821 231 A HN 0.705 nan 8.150 nan 0.000 0.449 232 M N -1.112 118.388 119.600 -0.165 0.000 2.446 232 M HA 0.591 5.071 4.480 -0.000 0.000 0.294 232 M C -1.009 175.128 176.300 -0.273 0.000 1.158 232 M CA -0.335 54.855 55.300 -0.182 0.000 0.899 232 M CB 2.549 35.061 32.600 -0.147 0.000 1.687 232 M HN 0.076 nan 8.290 nan 0.000 0.455 233 A N 2.871 125.531 122.820 -0.268 0.000 2.285 233 A HA 0.764 5.084 4.320 -0.000 0.000 0.310 233 A C -1.459 175.707 177.584 -0.696 0.000 1.266 233 A CA -0.561 51.209 52.037 -0.445 0.000 0.832 233 A CB 0.621 19.460 19.000 -0.268 0.000 1.163 233 A HN 0.767 nan 8.150 nan 0.000 0.499 234 L N 2.775 123.521 121.223 -0.794 0.000 2.295 234 L HA 0.667 5.006 4.340 -0.000 0.000 0.285 234 L C -1.363 174.992 176.870 -0.858 0.000 1.035 234 L CA -0.169 54.218 54.840 -0.754 0.000 0.806 234 L CB 0.681 42.316 42.059 -0.707 0.000 1.214 234 L HN 0.586 nan 8.230 nan 0.000 0.426 235 Y N 6.217 126.418 120.300 -0.165 0.000 2.748 235 Y HA 0.350 4.900 4.550 -0.000 0.000 0.359 235 Y C -1.725 174.144 175.900 -0.052 0.000 1.030 235 Y CA -1.615 56.428 58.100 -0.094 0.000 1.169 235 Y CB 0.258 38.675 38.460 -0.072 0.000 1.127 235 Y HN 0.562 nan 8.280 nan 0.000 0.644 236 P HA -0.187 nan 4.420 nan 0.000 0.216 236 P C 0.651 178.102 177.300 0.251 0.000 1.153 236 P CA 1.708 64.920 63.100 0.187 0.000 0.858 236 P CB 0.763 32.573 31.700 0.183 0.000 0.789 237 L N -1.955 119.396 121.223 0.214 0.000 3.259 237 L HA 0.213 4.553 4.340 -0.000 0.000 0.292 237 L C 2.108 179.135 176.870 0.262 0.000 1.219 237 L CA -0.018 54.983 54.840 0.270 0.000 1.035 237 L CB -0.011 42.243 42.059 0.325 0.000 1.424 237 L HN -0.191 nan 8.230 nan 0.000 0.603 238 S N 1.467 117.270 115.700 0.172 0.000 2.369 238 S HA -0.310 4.160 4.470 -0.000 0.000 0.225 238 S C 2.244 176.913 174.600 0.115 0.000 1.043 238 S CA 2.022 60.286 58.200 0.106 0.000 1.074 238 S CB -0.234 63.001 63.200 0.059 0.000 0.962 238 S HN 0.548 nan 8.310 nan 0.000 0.433 239 A N 0.996 123.894 122.820 0.130 0.000 1.902 239 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 239 A C 1.917 179.640 177.584 0.231 0.000 1.181 239 A CA 1.519 53.634 52.037 0.130 0.000 0.623 239 A CB -0.897 18.165 19.000 0.103 0.000 0.818 239 A HN 0.454 nan 8.150 nan 0.000 0.443 240 F N 1.110 121.138 119.950 0.130 0.000 2.091 240 F HA -0.213 4.314 4.527 -0.000 0.000 0.299 240 F C 2.374 178.243 175.800 0.114 0.000 1.103 240 F CA 1.975 60.054 58.000 0.131 0.000 1.228 240 F CB -0.377 38.694 39.000 0.117 0.000 0.984 240 F HN 0.151 nan 8.300 nan 0.000 0.477 241 R N 0.127 120.660 120.500 0.056 0.000 2.091 241 R HA -0.142 4.198 4.340 -0.000 0.000 0.238 241 R C 2.432 178.706 176.300 -0.043 0.000 1.136 241 R CA 1.403 57.475 56.100 -0.046 0.000 0.959 241 R CB -1.015 29.358 30.300 0.123 0.000 0.856 241 R HN 0.409 nan 8.270 nan 0.000 0.437 242 A N 1.869 124.698 122.820 0.015 0.000 1.930 242 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 242 A C 2.245 179.826 177.584 -0.005 0.000 1.175 242 A CA 1.390 53.433 52.037 0.010 0.000 0.627 242 A CB -0.516 18.496 19.000 0.020 0.000 0.815 242 A HN 0.434 nan 8.150 nan 0.000 0.443 243 M N -0.137 119.473 119.600 0.017 0.000 2.159 243 M HA -0.185 4.295 4.480 -0.000 0.000 0.263 243 M C 1.479 177.752 176.300 -0.044 0.000 1.063 243 M CA 2.420 57.744 55.300 0.040 0.000 1.110 243 M CB -0.805 31.903 32.600 0.180 0.000 1.374 243 M HN 0.470 nan 8.290 nan 0.000 0.411 244 N N 0.222 118.830 118.700 -0.153 0.000 2.142 244 N HA -0.162 4.578 4.740 -0.000 0.000 0.186 244 N C 1.939 177.397 175.510 -0.087 0.000 1.023 244 N CA 1.301 54.245 53.050 -0.178 0.000 0.852 244 N CB -0.157 38.123 38.487 -0.345 0.000 0.998 244 N HN 0.337 nan 8.380 nan 0.000 0.424 245 R N 1.417 121.877 120.500 -0.066 0.000 2.073 245 R HA -0.040 4.300 4.340 -0.000 0.000 0.234 245 R C 2.059 178.356 176.300 -0.005 0.000 1.134 245 R CA 1.534 57.618 56.100 -0.028 0.000 0.952 245 R CB -0.451 29.834 30.300 -0.024 0.000 0.850 245 R HN 0.170 nan 8.270 nan 0.000 0.433 246 A N 0.221 123.034 122.820 -0.013 0.000 1.902 246 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 246 A C 2.375 179.936 177.584 -0.039 0.000 1.181 246 A CA 1.780 53.820 52.037 0.006 0.000 0.623 246 A CB -1.042 17.958 19.000 0.001 0.000 0.818 246 A HN 0.527 nan 8.150 nan 0.000 0.443 247 A N -0.491 122.264 122.820 -0.108 0.000 1.873 247 A HA -0.160 4.160 4.320 -0.000 0.000 0.215 247 A C 2.042 179.423 177.584 -0.338 0.000 1.186 247 A CA 1.726 53.587 52.037 -0.294 0.000 0.616 247 A CB -0.569 18.279 19.000 -0.254 0.000 0.823 247 A HN 0.658 nan 8.150 nan 0.000 0.442 248 E N -0.961 119.194 120.200 -0.074 0.000 2.085 248 E HA -0.290 4.060 4.350 -0.000 0.000 0.194 248 E C 1.946 178.604 176.600 0.097 0.000 0.994 248 E CA 1.340 57.787 56.400 0.078 0.000 0.801 248 E CB -0.367 29.382 29.700 0.081 0.000 0.743 248 E HN 0.842 nan 8.360 nan 0.000 0.453 249 H N -0.320 118.727 119.070 -0.037 0.000 2.353 249 H HA -0.106 4.450 4.556 -0.000 0.000 0.300 249 H C 2.122 177.435 175.328 -0.026 0.000 1.090 249 H CA 1.466 57.502 56.048 -0.021 0.000 1.327 249 H CB 0.267 30.012 29.762 -0.030 0.000 1.383 249 H HN 0.108 nan 8.280 nan 0.000 0.508 250 V N 0.775 120.595 119.914 -0.158 0.000 2.295 250 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 250 V C 2.238 178.281 176.094 -0.085 0.000 1.049 250 V CA 1.739 63.913 62.300 -0.211 0.000 1.024 250 V CB -0.823 30.856 31.823 -0.241 0.000 0.648 250 V HN 0.433 nan 8.190 nan 0.000 0.447 251 Y N 1.016 121.293 120.300 -0.039 0.000 2.128 251 Y HA -0.181 4.369 4.550 -0.000 0.000 0.284 251 Y C 2.580 178.458 175.900 -0.036 0.000 1.154 251 Y CA 1.232 59.316 58.100 -0.027 0.000 1.149 251 Y CB -1.038 37.418 38.460 -0.006 0.000 0.976 251 Y HN 0.329 nan 8.280 nan 0.000 0.505 252 N N -0.191 118.587 118.700 0.131 0.000 2.058 252 N HA -0.144 4.596 4.740 -0.000 0.000 0.191 252 N C 2.115 177.626 175.510 0.001 0.000 1.037 252 N CA 1.519 54.606 53.050 0.062 0.000 0.848 252 N CB -0.830 37.703 38.487 0.076 0.000 1.021 252 N HN 0.160 nan 8.380 nan 0.000 0.422 253 V N 1.496 121.357 119.914 -0.089 0.000 2.287 253 V HA -0.181 3.939 4.120 -0.000 0.000 0.248 253 V C 2.392 178.456 176.094 -0.051 0.000 1.053 253 V CA 1.079 63.312 62.300 -0.112 0.000 1.027 253 V CB -0.520 31.152 31.823 -0.252 0.000 0.646 253 V HN 0.181 nan 8.190 nan 0.000 0.447 254 L N 0.033 121.239 121.223 -0.029 0.000 2.042 254 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 254 L C 2.513 179.390 176.870 0.013 0.000 1.076 254 L CA 1.991 56.834 54.840 0.004 0.000 0.749 254 L CB -0.847 41.239 42.059 0.044 0.000 0.893 254 L HN 0.228 nan 8.230 nan 0.000 0.432 255 R N -0.715 119.798 120.500 0.023 0.000 2.073 255 R HA -0.094 4.246 4.340 -0.000 0.000 0.229 255 R C 2.262 178.566 176.300 0.007 0.000 1.120 255 R CA 1.529 57.638 56.100 0.014 0.000 0.967 255 R CB -0.282 30.028 30.300 0.017 0.000 0.862 255 R HN 0.521 nan 8.270 nan 0.000 0.436 256 Q N -0.272 119.532 119.800 0.006 0.000 2.046 256 Q HA -0.098 4.242 4.340 -0.000 0.000 0.200 256 Q C 1.307 177.307 176.000 0.000 0.000 0.975 256 Q CA 1.844 57.649 55.803 0.004 0.000 0.836 256 Q CB 0.113 28.855 28.738 0.006 0.000 0.896 256 Q HN 0.486 nan 8.270 nan 0.000 0.428 257 E N -1.062 119.136 120.200 -0.005 0.000 2.476 257 E HA 0.154 4.504 4.350 -0.000 0.000 0.199 257 E C 0.596 177.193 176.600 -0.004 0.000 1.021 257 E CA 0.325 56.722 56.400 -0.005 0.000 0.907 257 E CB 0.846 30.540 29.700 -0.010 0.000 0.974 257 E HN 0.417 nan 8.360 nan 0.000 0.489 258 G N 2.084 110.883 108.800 -0.002 0.000 2.179 258 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.257 258 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.257 258 G C 0.181 175.080 174.900 -0.001 0.000 1.010 258 G CA 1.035 46.135 45.100 -0.000 0.000 0.736 258 G HN 0.359 nan 8.290 nan 0.000 0.513 259 T N -1.568 112.983 114.554 -0.005 0.000 2.907 259 T HA 0.465 4.814 4.350 -0.000 0.000 0.344 259 T C 0.443 175.133 174.700 -0.016 0.000 1.675 259 T CA 0.518 62.614 62.100 -0.007 0.000 1.076 259 T CB 1.170 70.034 68.868 -0.007 0.000 1.483 259 T HN 0.602 nan 8.240 nan 0.000 0.487 260 Q N 2.643 122.434 119.800 -0.016 0.000 2.246 260 Q HA 0.234 4.574 4.340 -0.000 0.000 0.202 260 Q C 1.035 177.018 176.000 -0.028 0.000 0.883 260 Q CA -0.100 55.685 55.803 -0.029 0.000 0.952 260 Q CB 0.034 28.757 28.738 -0.024 0.000 1.078 260 Q HN 0.720 nan 8.270 nan 0.000 0.493 261 K N 1.064 121.452 120.400 -0.019 0.000 2.059 261 K HA -0.128 4.192 4.320 -0.000 0.000 0.212 261 K C 1.946 178.538 176.600 -0.014 0.000 1.050 261 K CA 1.985 58.263 56.287 -0.014 0.000 0.927 261 K CB -0.052 32.442 32.500 -0.009 0.000 0.714 261 K HN 0.157 nan 8.250 nan 0.000 0.447 262 S N 0.509 116.198 115.700 -0.019 0.000 2.474 262 S HA -0.068 4.402 4.470 -0.000 0.000 0.235 262 S C 1.645 176.238 174.600 -0.011 0.000 0.997 262 S CA 1.248 59.440 58.200 -0.012 0.000 0.949 262 S CB 0.034 63.225 63.200 -0.015 0.000 0.766 262 S HN 0.306 nan 8.310 nan 0.000 0.517 263 V N -2.266 117.627 119.914 -0.036 0.000 3.380 263 V HA 0.325 4.445 4.120 -0.000 0.000 0.307 263 V C 1.360 177.447 176.094 -0.012 0.000 1.434 263 V CA -0.209 62.074 62.300 -0.029 0.000 1.075 263 V CB -0.565 31.190 31.823 -0.113 0.000 0.954 263 V HN 0.204 nan 8.190 nan 0.000 0.444 264 I N 3.382 123.945 120.570 -0.012 0.000 2.264 264 I HA -0.186 3.984 4.170 -0.000 0.000 0.248 264 I C 2.512 178.629 176.117 -0.001 0.000 1.111 264 I CA 2.413 63.708 61.300 -0.009 0.000 1.382 264 I CB -0.895 37.100 38.000 -0.009 0.000 1.060 264 I HN 0.602 nan 8.210 nan 0.000 0.418 265 D N 0.050 120.453 120.400 0.006 0.000 2.351 265 D HA -0.160 4.480 4.640 -0.000 0.000 0.216 265 D C 1.643 177.952 176.300 0.015 0.000 0.968 265 D CA 1.403 55.409 54.000 0.009 0.000 0.899 265 D CB -0.726 40.081 40.800 0.012 0.000 0.907 265 D HN 0.430 nan 8.370 nan 0.000 0.514 266 T N -3.285 111.282 114.554 0.022 0.000 3.107 266 T HA 0.232 4.582 4.350 -0.000 0.000 0.249 266 T C 0.909 175.619 174.700 0.016 0.000 1.096 266 T CA -0.475 61.642 62.100 0.029 0.000 1.012 266 T CB -0.203 68.703 68.868 0.064 0.000 0.977 266 T HN -0.004 nan 8.240 nan 0.000 0.527 267 M N 2.118 121.723 119.600 0.008 0.000 2.318 267 M HA 0.347 4.827 4.480 -0.000 0.000 0.347 267 M C 0.102 176.406 176.300 0.007 0.000 1.175 267 M CA -0.701 54.602 55.300 0.004 0.000 1.075 267 M CB 1.777 34.376 32.600 -0.003 0.000 1.614 267 M HN 0.160 nan 8.290 nan 0.000 0.456 268 Q N 2.311 122.120 119.800 0.014 0.000 2.337 268 Q HA 0.126 4.466 4.340 -0.000 0.000 0.270 268 Q C -0.333 175.674 176.000 0.012 0.000 1.002 268 Q CA -0.190 55.624 55.803 0.019 0.000 0.888 268 Q CB 0.893 29.652 28.738 0.035 0.000 1.222 268 Q HN 0.800 nan 8.270 nan 0.000 0.400 269 T N 0.823 115.378 114.554 0.002 0.000 2.788 269 T HA 0.134 4.484 4.350 -0.000 0.000 0.287 269 T C 0.997 175.678 174.700 -0.031 0.000 1.007 269 T CA -0.369 61.719 62.100 -0.020 0.000 1.005 269 T CB 1.108 69.957 68.868 -0.032 0.000 1.012 269 T HN 0.868 nan 8.240 nan 0.000 0.530 270 R N 0.852 121.301 120.500 -0.085 0.000 2.073 270 R HA -0.133 4.207 4.340 -0.000 0.000 0.234 270 R C 2.237 178.372 176.300 -0.275 0.000 1.134 270 R CA 2.029 58.027 56.100 -0.171 0.000 0.952 270 R CB -0.601 29.541 30.300 -0.263 0.000 0.850 270 R HN 0.828 nan 8.270 nan 0.000 0.433 271 N N -0.067 118.493 118.700 -0.233 0.000 2.069 271 N HA -0.190 4.550 4.740 -0.000 0.000 0.191 271 N C 1.561 177.081 175.510 0.017 0.000 1.031 271 N CA 1.682 54.640 53.050 -0.153 0.000 0.852 271 N CB -0.049 38.389 38.487 -0.081 0.000 1.018 271 N HN 0.419 nan 8.380 nan 0.000 0.423 272 E N 1.078 121.293 120.200 0.024 0.000 2.110 272 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 272 E C 2.169 178.841 176.600 0.120 0.000 0.988 272 E CA 0.535 56.978 56.400 0.072 0.000 0.804 272 E CB -0.103 29.624 29.700 0.044 0.000 0.745 272 E HN 0.362 nan 8.360 nan 0.000 0.458 273 L N 0.243 121.542 121.223 0.126 0.000 2.017 273 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 273 L C 2.220 179.246 176.870 0.259 0.000 1.073 273 L CA 1.419 56.367 54.840 0.180 0.000 0.745 273 L CB -0.215 41.959 42.059 0.192 0.000 0.894 273 L HN 0.099 nan 8.230 nan 0.000 0.432 274 Y N 0.671 120.956 120.300 -0.025 0.000 2.128 274 Y HA -0.313 4.237 4.550 -0.000 0.000 0.284 274 Y C 2.724 178.672 175.900 0.081 0.000 1.154 274 Y CA 1.764 59.812 58.100 -0.085 0.000 1.149 274 Y CB -0.838 37.413 38.460 -0.349 0.000 0.976 274 Y HN 0.399 nan 8.280 nan 0.000 0.505 275 E N -0.273 120.149 120.200 0.370 0.000 2.085 275 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 275 E C 2.206 178.948 176.600 0.236 0.000 0.994 275 E CA 1.678 58.291 56.400 0.355 0.000 0.801 275 E CB -0.090 29.762 29.700 0.255 0.000 0.743 275 E HN 0.364 nan 8.360 nan 0.000 0.453 276 S N 0.773 116.582 115.700 0.182 0.000 2.399 276 S HA -0.135 4.335 4.470 -0.000 0.000 0.231 276 S C 1.808 176.491 174.600 0.139 0.000 1.022 276 S CA 1.293 59.579 58.200 0.143 0.000 0.983 276 S CB -0.328 62.946 63.200 0.123 0.000 0.803 276 S HN 0.528 nan 8.310 nan 0.000 0.480 277 I N -1.085 119.568 120.570 0.138 0.000 3.874 277 I HA 0.294 4.464 4.170 -0.000 0.000 0.331 277 I C -0.717 175.494 176.117 0.156 0.000 1.489 277 I CA -0.404 60.965 61.300 0.114 0.000 1.187 277 I CB -0.572 37.457 38.000 0.049 0.000 1.150 277 I HN -0.039 nan 8.210 nan 0.000 0.412 278 N N 1.561 120.379 118.700 0.196 0.000 2.707 278 N HA -0.326 4.414 4.740 -0.000 0.000 0.253 278 N C 0.557 176.229 175.510 0.270 0.000 0.998 278 N CA 1.256 54.452 53.050 0.244 0.000 0.751 278 N CB -1.795 36.812 38.487 0.199 0.000 0.920 278 N HN 0.750 nan 8.380 nan 0.000 0.539 279 Y N 0.207 120.462 120.300 -0.075 0.000 2.193 279 Y HA -0.314 4.236 4.550 -0.000 0.000 0.285 279 Y C 1.790 177.545 175.900 -0.243 0.000 1.166 279 Y CA 1.942 59.827 58.100 -0.358 0.000 1.181 279 Y CB -0.204 37.789 38.460 -0.778 0.000 0.976 279 Y HN 0.350 nan 8.280 nan 0.000 0.520 280 Y N -0.685 119.844 120.300 0.382 0.000 2.457 280 Y HA -0.122 4.428 4.550 -0.000 0.000 0.292 280 Y C 2.304 178.304 175.900 0.166 0.000 1.125 280 Y CA 0.950 59.215 58.100 0.276 0.000 1.254 280 Y CB -0.609 37.990 38.460 0.232 0.000 1.012 280 Y HN 0.135 nan 8.280 nan 0.000 0.555 281 Q N -0.895 119.057 119.800 0.253 0.000 2.437 281 Q HA -0.167 4.173 4.340 -0.000 0.000 0.210 281 Q C 1.019 176.965 176.000 -0.090 0.000 0.972 281 Q CA 1.060 56.902 55.803 0.064 0.000 0.903 281 Q CB -0.133 28.596 28.738 -0.014 0.000 0.967 281 Q HN 0.613 nan 8.270 nan 0.000 0.486 282 Y N -0.001 120.259 120.300 -0.067 0.000 2.201 282 Y HA -0.104 4.446 4.550 -0.000 0.000 0.292 282 Y C 2.185 178.049 175.900 -0.061 0.000 1.119 282 Y CA 1.046 59.080 58.100 -0.111 0.000 1.127 282 Y CB 0.018 38.328 38.460 -0.250 0.000 1.019 282 Y HN 0.086 nan 8.280 nan 0.000 0.514 283 E N 0.439 120.706 120.200 0.112 0.000 2.268 283 E HA -0.179 4.171 4.350 -0.000 0.000 0.195 283 E C 1.580 178.230 176.600 0.083 0.000 0.995 283 E CA 0.877 57.336 56.400 0.099 0.000 0.836 283 E CB 0.066 29.840 29.700 0.124 0.000 0.763 283 E HN 0.556 nan 8.360 nan 0.000 0.491 284 E N 0.459 120.703 120.200 0.073 0.000 2.072 284 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 284 E C 2.004 178.598 176.600 -0.010 0.000 0.985 284 E CA 0.930 57.356 56.400 0.042 0.000 0.801 284 E CB -0.024 29.705 29.700 0.047 0.000 0.750 284 E HN 0.104 nan 8.360 nan 0.000 0.452 285 K N 1.235 121.605 120.400 -0.049 0.000 2.097 285 K HA -0.123 4.197 4.320 -0.000 0.000 0.205 285 K C 2.108 178.654 176.600 -0.092 0.000 1.050 285 K CA 0.761 56.989 56.287 -0.098 0.000 0.938 285 K CB -0.004 32.404 32.500 -0.154 0.000 0.718 285 K HN 0.055 nan 8.250 nan 0.000 0.442 286 L N 1.025 122.247 121.223 -0.003 0.000 2.046 286 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 286 L C 1.958 178.871 176.870 0.072 0.000 1.077 286 L CA 1.297 56.195 54.840 0.096 0.000 0.747 286 L CB -0.495 41.675 42.059 0.186 0.000 0.896 286 L HN 0.270 nan 8.230 nan 0.000 0.432 287 D N -0.225 120.205 120.400 0.050 0.000 2.178 287 D HA -0.136 4.503 4.640 -0.000 0.000 0.202 287 D C 1.896 178.186 176.300 -0.017 0.000 0.974 287 D CA 0.882 54.909 54.000 0.044 0.000 0.841 287 D CB -0.230 40.597 40.800 0.045 0.000 0.953 287 D HN 0.334 nan 8.370 nan 0.000 0.478 288 N N 0.366 119.026 118.700 -0.067 0.000 2.270 288 N HA -0.017 4.723 4.740 -0.000 0.000 0.181 288 N C 2.022 177.421 175.510 -0.185 0.000 1.016 288 N CA 0.328 53.317 53.050 -0.100 0.000 0.870 288 N CB 0.069 38.498 38.487 -0.097 0.000 0.979 288 N HN 0.265 nan 8.380 nan 0.000 0.431 289 L N -1.041 119.974 121.223 -0.346 0.000 2.202 289 L HA 0.149 4.489 4.340 -0.000 0.000 0.205 289 L C 0.259 176.683 176.870 -0.744 0.000 1.083 289 L CA 0.598 55.042 54.840 -0.660 0.000 0.790 289 L CB 0.016 41.426 42.059 -1.082 0.000 0.942 289 L HN -0.040 nan 8.230 nan 0.000 0.452 290 F N -1.554 118.395 119.950 -0.002 0.000 2.712 290 F HA 0.697 5.224 4.527 -0.000 0.000 0.367 290 F C 0.752 176.554 175.800 0.004 0.000 1.132 290 F CA -0.677 57.323 58.000 0.001 0.000 1.066 290 F CB 0.584 39.585 39.000 0.002 0.000 1.416 290 F HN -0.083 nan 8.300 nan 0.000 0.515 291 A N 0.000 122.957 122.820 0.229 0.000 2.254 291 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 291 A CA 0.000 52.109 52.037 0.120 0.000 0.836 291 A CB 0.000 19.064 19.000 0.107 0.000 0.831 291 A HN 0.000 nan 8.150 nan 0.000 0.486