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 2ej0_1_F DATA FIRST_RESID 2 DATA SEQUENCE QIKAGLIWMN GAFVPQEEAK TSVLSHALHY GTSVFEGIRA YETAKGPAIF DATA SEQUENCE RLKEHVKRFY NSAKVLRMEI PFAPEELEEA IKEVVRRNGY RSCYIRPLAW DATA SEQUENCE MGAKALGVNP LPNNPAEVMV AAWEWXXXXX EEAVRKGARL ITSSWARFPA DATA SEQUENCE NVMPGKAKVG GNYVNSALAK MEAVAAGADE ALLLDEEGYV AEGSGENLFF DATA SEQUENCE VRDGVIYALE HSVNLEGITR DSVIRIAKDL GYEVQVVRAT RDQLYMADEV DATA SEQUENCE FMTGTAAEVT PVSMIDWRPI GKGTAGPVAL RLREVYLEAV TGRRPEYEGW DATA SEQUENCE LTYVN 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 2 Q HA 0.000 nan 4.340 nan 0.000 0.214 2 Q C 0.000 175.896 176.000 -0.174 0.000 1.003 2 Q CA 0.000 55.726 55.803 -0.129 0.000 1.022 2 Q CB 0.000 28.685 28.738 -0.088 0.000 1.108 3 I N 2.824 123.273 120.570 -0.201 0.000 2.336 3 I HA 0.316 4.485 4.170 -0.000 0.000 0.292 3 I C -0.180 175.860 176.117 -0.128 0.000 0.991 3 I CA -0.792 60.339 61.300 -0.281 0.000 1.227 3 I CB 1.265 39.005 38.000 -0.434 0.000 1.366 3 I HN 0.258 nan 8.210 nan 0.000 0.466 4 K N 6.131 126.489 120.400 -0.070 0.000 2.222 4 K HA 0.340 4.660 4.320 -0.000 0.000 0.243 4 K C 0.628 177.360 176.600 0.220 0.000 1.160 4 K CA -0.161 56.167 56.287 0.067 0.000 1.090 4 K CB 0.977 33.524 32.500 0.077 0.000 1.694 4 K HN 0.745 nan 8.250 nan 0.000 0.361 5 A N 0.970 123.928 122.820 0.230 0.000 1.943 5 A HA 0.281 4.601 4.320 -0.000 0.000 0.213 5 A C 1.225 179.020 177.584 0.351 0.000 1.181 5 A CA 1.257 53.528 52.037 0.390 0.000 0.653 5 A CB -0.292 18.918 19.000 0.349 0.000 0.833 5 A HN 0.694 nan 8.150 nan 0.000 0.451 6 G N -0.820 108.110 108.800 0.217 0.000 2.509 6 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.256 6 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.256 6 G C -0.059 174.934 174.900 0.155 0.000 1.152 6 G CA -0.108 45.081 45.100 0.148 0.000 0.951 6 G HN 0.741 nan 8.290 nan 0.000 0.559 7 L N 1.082 122.390 121.223 0.142 0.000 2.410 7 L HA 0.478 4.818 4.340 -0.000 0.000 0.273 7 L C 0.520 177.613 176.870 0.371 0.000 1.144 7 L CA 0.024 55.002 54.840 0.229 0.000 0.863 7 L CB 0.396 42.561 42.059 0.176 0.000 1.140 7 L HN 0.374 nan 8.230 nan 0.000 0.463 8 I N 2.128 122.893 120.570 0.325 0.000 2.474 8 I HA 0.178 4.348 4.170 -0.000 0.000 0.294 8 I C -0.655 175.505 176.117 0.073 0.000 1.005 8 I CA -0.558 60.891 61.300 0.248 0.000 1.113 8 I CB 1.867 39.969 38.000 0.170 0.000 1.289 8 I HN 0.605 nan 8.210 nan 0.000 0.436 9 W N 8.429 129.489 121.300 -0.400 0.000 2.419 9 W HA 0.337 4.997 4.660 -0.000 0.000 0.312 9 W C -0.807 175.512 176.519 -0.333 0.000 1.323 9 W CA -0.345 56.512 57.345 -0.813 0.000 1.293 9 W CB 0.642 29.494 29.460 -1.012 0.000 1.324 9 W HN 0.246 nan 8.180 nan 0.000 0.512 10 M N 7.466 126.680 119.600 -0.645 0.000 2.046 10 M HA 0.100 4.580 4.480 -0.000 0.000 0.309 10 M C 0.069 175.900 176.300 -0.781 0.000 0.935 10 M CA -0.363 54.657 55.300 -0.466 0.000 0.915 10 M CB 0.981 33.476 32.600 -0.176 0.000 1.474 10 M HN 0.532 nan 8.290 nan 0.000 0.415 11 N N 2.758 120.919 118.700 -0.898 0.000 2.699 11 N HA -0.210 4.530 4.740 -0.000 0.000 0.256 11 N C 0.864 175.969 175.510 -0.675 0.000 0.993 11 N CA 1.402 54.073 53.050 -0.631 0.000 0.759 11 N CB -0.643 37.765 38.487 -0.132 0.000 0.906 11 N HN 1.193 nan 8.380 nan 0.000 0.541 12 G N -2.416 105.366 108.800 -1.697 0.000 2.195 12 G HA2 0.032 3.992 3.960 -0.000 0.000 0.224 12 G HA3 0.032 3.992 3.960 -0.000 0.000 0.224 12 G C -0.043 174.559 174.900 -0.497 0.000 0.990 12 G CA 0.352 45.086 45.100 -0.610 0.000 0.639 12 G HN 1.251 nan 8.290 nan 0.000 0.514 13 A N -0.659 121.665 122.820 -0.826 0.000 2.549 13 A HA 0.782 5.102 4.320 -0.000 0.000 0.297 13 A C -0.789 176.570 177.584 -0.374 0.000 1.061 13 A CA -0.695 51.135 52.037 -0.345 0.000 0.690 13 A CB 0.963 19.883 19.000 -0.132 0.000 1.287 13 A HN 0.718 nan 8.150 nan 0.000 0.402 14 F N 1.076 121.009 119.950 -0.027 0.000 2.399 14 F HA 0.491 5.018 4.527 -0.000 0.000 0.342 14 F C 0.808 176.614 175.800 0.009 0.000 1.106 14 F CA 0.461 58.485 58.000 0.040 0.000 1.196 14 F CB 1.740 40.801 39.000 0.101 0.000 1.163 14 F HN 0.573 nan 8.300 nan 0.000 0.547 15 V N 1.039 121.059 119.914 0.176 0.000 3.114 15 V HA 0.672 4.792 4.120 -0.000 0.000 0.308 15 V C -3.007 173.161 176.094 0.123 0.000 1.168 15 V CA -3.094 59.272 62.300 0.110 0.000 1.015 15 V CB 1.921 33.770 31.823 0.044 0.000 1.050 15 V HN 0.403 nan 8.190 nan 0.000 0.433 16 P HA 0.156 nan 4.420 nan 0.000 0.269 16 P C 0.616 177.963 177.300 0.077 0.000 1.209 16 P CA 0.163 63.311 63.100 0.080 0.000 0.776 16 P CB 0.523 32.255 31.700 0.054 0.000 0.876 17 Q N 2.263 122.112 119.800 0.082 0.000 2.173 17 Q HA -0.290 4.050 4.340 -0.000 0.000 0.208 17 Q C 1.652 177.678 176.000 0.045 0.000 0.989 17 Q CA 2.108 57.956 55.803 0.074 0.000 0.872 17 Q CB -0.070 28.712 28.738 0.074 0.000 0.909 17 Q HN 0.570 nan 8.270 nan 0.000 0.420 18 E N -0.302 119.919 120.200 0.035 0.000 2.160 18 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 18 E C 1.166 177.778 176.600 0.022 0.000 0.991 18 E CA 1.438 57.850 56.400 0.021 0.000 0.810 18 E CB -0.169 29.542 29.700 0.018 0.000 0.742 18 E HN 0.510 nan 8.360 nan 0.000 0.466 19 E N 0.644 120.862 120.200 0.031 0.000 2.474 19 E HA 0.146 4.496 4.350 -0.000 0.000 0.194 19 E C 0.232 176.852 176.600 0.034 0.000 1.041 19 E CA 0.187 56.604 56.400 0.029 0.000 0.874 19 E CB 0.527 30.246 29.700 0.031 0.000 0.914 19 E HN 0.286 nan 8.360 nan 0.000 0.498 20 A N 2.308 125.150 122.820 0.038 0.000 2.990 20 A HA 0.148 4.468 4.320 -0.000 0.000 0.282 20 A C -0.151 177.446 177.584 0.023 0.000 1.688 20 A CA 0.081 52.144 52.037 0.043 0.000 1.391 20 A CB -0.304 18.729 19.000 0.054 0.000 1.112 20 A HN -0.028 nan 8.150 nan 0.000 0.588 21 K N -0.098 120.324 120.400 0.036 0.000 2.444 21 K HA 0.732 5.052 4.320 -0.000 0.000 0.252 21 K C -0.701 175.943 176.600 0.073 0.000 0.993 21 K CA -0.636 55.662 56.287 0.019 0.000 0.847 21 K CB 2.315 34.822 32.500 0.012 0.000 1.340 21 K HN 0.336 nan 8.250 nan 0.000 0.446 22 T N -0.574 114.013 114.554 0.055 0.000 2.896 22 T HA 0.228 4.578 4.350 -0.000 0.000 0.297 22 T C -0.886 173.876 174.700 0.104 0.000 1.108 22 T CA -0.496 61.696 62.100 0.153 0.000 1.004 22 T CB 1.617 70.643 68.868 0.263 0.000 1.159 22 T HN 0.524 nan 8.240 nan 0.000 0.499 23 S N 1.172 116.956 115.700 0.139 0.000 2.558 23 S HA 0.055 4.525 4.470 -0.000 0.000 0.288 23 S C 1.717 176.377 174.600 0.099 0.000 1.318 23 S CA 0.055 58.316 58.200 0.103 0.000 1.056 23 S CB 0.223 63.487 63.200 0.106 0.000 0.853 23 S HN 0.891 nan 8.310 nan 0.000 0.505 24 V N 4.312 124.270 119.914 0.074 0.000 3.444 24 V HA 0.138 4.258 4.120 -0.000 0.000 0.271 24 V C 1.207 177.417 176.094 0.194 0.000 1.188 24 V CA 1.126 63.473 62.300 0.078 0.000 1.168 24 V CB -0.955 30.889 31.823 0.035 0.000 0.810 24 V HN 0.801 nan 8.190 nan 0.000 0.500 25 L N 0.403 121.719 121.223 0.154 0.000 2.628 25 L HA 0.300 4.640 4.340 -0.000 0.000 0.229 25 L C 0.977 177.881 176.870 0.057 0.000 1.137 25 L CA -0.108 54.790 54.840 0.097 0.000 0.909 25 L CB -0.008 42.070 42.059 0.030 0.000 1.137 25 L HN 0.202 nan 8.230 nan 0.000 0.470 26 S N -0.395 115.408 115.700 0.172 0.000 2.537 26 S HA -0.037 4.433 4.470 -0.000 0.000 0.286 26 S C 1.320 176.063 174.600 0.240 0.000 1.299 26 S CA -0.239 58.106 58.200 0.241 0.000 1.067 26 S CB 0.472 63.879 63.200 0.345 0.000 0.864 26 S HN 0.298 nan 8.310 nan 0.000 0.494 27 H N 3.411 122.564 119.070 0.139 0.000 2.321 27 H HA -0.219 4.336 4.556 -0.000 0.000 0.295 27 H C 2.111 177.558 175.328 0.198 0.000 1.102 27 H CA 2.072 58.212 56.048 0.154 0.000 1.266 27 H CB -0.187 29.697 29.762 0.203 0.000 1.363 27 H HN 0.744 nan 8.280 nan 0.000 0.492 28 A N 0.566 123.627 122.820 0.401 0.000 2.019 28 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 28 A C 2.465 180.138 177.584 0.149 0.000 1.164 28 A CA 1.112 53.337 52.037 0.313 0.000 0.644 28 A CB -0.581 18.649 19.000 0.384 0.000 0.805 28 A HN 0.388 nan 8.150 nan 0.000 0.449 29 L N -1.260 120.033 121.223 0.117 0.000 2.395 29 L HA -0.018 4.322 4.340 -0.000 0.000 0.218 29 L C 2.008 178.786 176.870 -0.153 0.000 1.130 29 L CA 1.539 56.370 54.840 -0.014 0.000 0.826 29 L CB -0.405 41.645 42.059 -0.014 0.000 0.941 29 L HN 0.541 nan 8.230 nan 0.000 0.451 30 H N -2.993 115.884 119.070 -0.322 0.000 2.557 30 H HA 0.124 4.680 4.556 -0.000 0.000 0.281 30 H C 0.538 175.504 175.328 -0.604 0.000 0.990 30 H CA 0.917 56.600 56.048 -0.607 0.000 1.278 30 H CB 0.469 29.561 29.762 -1.117 0.000 1.451 30 H HN 0.354 nan 8.280 nan 0.000 0.516 31 Y N -0.415 119.903 120.300 0.031 0.000 2.641 31 Y HA 0.288 4.838 4.550 0.000 0.000 0.248 31 Y C 1.470 177.412 175.900 0.071 0.000 1.170 31 Y CA 0.002 58.102 58.100 -0.000 0.000 1.201 31 Y CB 1.340 39.718 38.460 -0.137 0.000 1.232 31 Y HN 0.200 nan 8.280 nan 0.000 0.537 32 G N 1.429 110.344 108.800 0.191 0.000 2.168 32 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.257 32 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.257 32 G C 0.396 175.430 174.900 0.224 0.000 0.997 32 G CA 0.792 46.002 45.100 0.184 0.000 0.708 32 G HN 0.412 nan 8.290 nan 0.000 0.520 33 T N -0.634 114.093 114.554 0.288 0.000 4.313 33 T HA 0.589 4.938 4.350 -0.000 0.000 0.272 33 T C 0.521 175.378 174.700 0.263 0.000 1.298 33 T CA 0.462 62.732 62.100 0.283 0.000 1.124 33 T CB 0.282 69.391 68.868 0.402 0.000 1.352 33 T HN 1.443 nan 8.240 nan 0.000 1.013 34 S N 0.394 116.241 115.700 0.246 0.000 2.627 34 S HA 0.864 5.334 4.470 -0.000 0.000 0.283 34 S C -0.523 174.216 174.600 0.232 0.000 1.127 34 S CA -0.723 57.643 58.200 0.276 0.000 0.863 34 S CB 1.893 65.291 63.200 0.329 0.000 1.121 34 S HN 1.020 nan 8.310 nan 0.000 0.479 35 V N -0.744 119.293 119.914 0.206 0.000 2.925 35 V HA 1.004 5.123 4.120 -0.000 0.000 0.311 35 V C -0.916 175.375 176.094 0.329 0.000 1.104 35 V CA -1.078 61.286 62.300 0.107 0.000 0.954 35 V CB 0.821 32.529 31.823 -0.193 0.000 1.022 35 V HN 1.411 nan 8.190 nan 0.000 0.427 36 F N -0.207 119.873 119.950 0.217 0.000 2.745 36 F HA 0.984 5.511 4.527 -0.000 0.000 0.316 36 F C -0.871 175.128 175.800 0.331 0.000 1.155 36 F CA -0.712 57.501 58.000 0.355 0.000 0.937 36 F CB 1.589 40.699 39.000 0.182 0.000 1.361 36 F HN 0.576 nan 8.300 nan 0.000 0.472 37 E N -0.200 120.253 120.200 0.421 0.000 2.416 37 E HA 0.625 4.975 4.350 -0.000 0.000 0.273 37 E C -1.304 175.396 176.600 0.168 0.000 0.935 37 E CA -0.993 55.527 56.400 0.199 0.000 0.784 37 E CB 2.147 31.899 29.700 0.088 0.000 1.301 37 E HN 1.037 nan 8.360 nan 0.000 0.454 38 G N 1.257 110.075 108.800 0.029 0.000 2.730 38 G HA2 0.653 4.613 3.960 -0.000 0.000 0.291 38 G HA3 0.653 4.613 3.960 -0.000 0.000 0.291 38 G C -0.688 173.886 174.900 -0.542 0.000 1.456 38 G CA -0.316 44.674 45.100 -0.183 0.000 0.996 38 G HN 0.249 nan 8.290 nan 0.000 0.528 39 I N 1.380 121.443 120.570 -0.846 0.000 2.730 39 I HA 0.579 4.749 4.170 -0.000 0.000 0.298 39 I C -0.202 175.543 176.117 -0.620 0.000 1.089 39 I CA -1.035 59.794 61.300 -0.785 0.000 1.041 39 I CB 2.781 40.384 38.000 -0.661 0.000 1.235 39 I HN 0.194 nan 8.210 nan 0.000 0.423 40 R N 2.879 123.155 120.500 -0.373 0.000 2.711 40 R HA 0.857 5.197 4.340 -0.000 0.000 0.284 40 R C -1.067 175.090 176.300 -0.238 0.000 0.968 40 R CA -0.947 54.936 56.100 -0.361 0.000 0.924 40 R CB 2.486 32.533 30.300 -0.422 0.000 1.162 40 R HN 0.761 nan 8.270 nan 0.000 0.465 41 A N 2.370 124.993 122.820 -0.328 0.000 2.355 41 A HA 0.680 5.000 4.320 -0.000 0.000 0.317 41 A C -1.597 175.812 177.584 -0.293 0.000 1.094 41 A CA -0.491 51.446 52.037 -0.168 0.000 0.764 41 A CB 0.897 19.827 19.000 -0.118 0.000 1.230 41 A HN 0.631 nan 8.150 nan 0.000 0.448 42 Y N 0.041 120.279 120.300 -0.104 0.000 2.524 42 Y HA 0.537 5.087 4.550 -0.000 0.000 0.344 42 Y C 0.350 176.229 175.900 -0.034 0.000 1.012 42 Y CA -0.625 57.419 58.100 -0.094 0.000 1.068 42 Y CB 1.774 40.148 38.460 -0.142 0.000 1.249 42 Y HN 0.790 nan 8.280 nan 0.000 0.468 43 E N 1.256 121.548 120.200 0.154 0.000 2.331 43 E HA 0.421 4.771 4.350 -0.000 0.000 0.272 43 E C -0.433 176.244 176.600 0.129 0.000 1.036 43 E CA -0.100 56.374 56.400 0.122 0.000 0.864 43 E CB 0.746 30.507 29.700 0.100 0.000 1.035 43 E HN 0.671 nan 8.360 nan 0.000 0.408 44 T N 0.139 114.776 114.554 0.139 0.000 2.804 44 T HA 0.656 5.006 4.350 -0.000 0.000 0.290 44 T C 0.743 175.517 174.700 0.123 0.000 1.099 44 T CA -0.279 61.909 62.100 0.147 0.000 1.011 44 T CB 1.021 70.039 68.868 0.250 0.000 1.291 44 T HN 0.303 nan 8.240 nan 0.000 0.523 45 A N 0.032 122.912 122.820 0.099 0.000 2.121 45 A HA 0.150 4.470 4.320 -0.000 0.000 0.218 45 A C 1.643 179.250 177.584 0.038 0.000 1.154 45 A CA 0.799 52.869 52.037 0.056 0.000 0.679 45 A CB -0.638 18.382 19.000 0.033 0.000 0.795 45 A HN 0.764 nan 8.150 nan 0.000 0.458 46 K N -0.416 120.020 120.400 0.059 0.000 2.498 46 K HA 0.409 4.729 4.320 -0.000 0.000 0.207 46 K C 0.510 177.164 176.600 0.091 0.000 1.033 46 K CA 0.294 56.565 56.287 -0.025 0.000 1.138 46 K CB 0.212 32.522 32.500 -0.317 0.000 0.860 46 K HN 0.560 nan 8.250 nan 0.000 0.490 47 G N 2.104 110.987 108.800 0.137 0.000 2.710 47 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.668 47 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.668 47 G C -2.996 172.025 174.900 0.202 0.000 1.320 47 G CA -1.332 43.857 45.100 0.149 0.000 0.860 47 G HN -0.083 nan 8.290 nan 0.000 0.538 48 P HA 0.440 nan 4.420 nan 0.000 0.265 48 P C -0.156 177.194 177.300 0.082 0.000 1.193 48 P CA 1.088 64.252 63.100 0.107 0.000 0.765 48 P CB 1.020 32.768 31.700 0.078 0.000 0.823 49 A N 4.337 127.158 122.820 0.003 0.000 2.343 49 A HA 0.569 4.889 4.320 -0.000 0.000 0.308 49 A C -0.400 177.151 177.584 -0.055 0.000 1.092 49 A CA -0.745 51.188 52.037 -0.174 0.000 0.751 49 A CB 0.515 19.248 19.000 -0.445 0.000 1.203 49 A HN 0.436 nan 8.150 nan 0.000 0.452 50 I N 2.025 122.554 120.570 -0.068 0.000 2.474 50 I HA 0.190 4.360 4.170 -0.000 0.000 0.287 50 I C -0.438 175.710 176.117 0.051 0.000 1.048 50 I CA -0.177 61.111 61.300 -0.020 0.000 1.383 50 I CB 0.885 38.845 38.000 -0.066 0.000 1.412 50 I HN 0.669 nan 8.210 nan 0.000 0.531 51 F N 6.307 126.228 119.950 -0.049 0.000 2.411 51 F HA 0.358 4.885 4.527 -0.000 0.000 0.355 51 F C 0.861 176.670 175.800 0.015 0.000 1.117 51 F CA -0.755 57.231 58.000 -0.024 0.000 1.139 51 F CB 0.076 39.072 39.000 -0.006 0.000 1.120 51 F HN 0.426 nan 8.300 nan 0.000 0.493 52 R N 4.725 124.861 120.500 -0.608 0.000 3.251 52 R HA -0.253 4.087 4.340 -0.000 0.000 0.249 52 R C 1.021 177.263 176.300 -0.097 0.000 0.949 52 R CA 0.553 56.372 56.100 -0.468 0.000 0.645 52 R CB -1.771 28.033 30.300 -0.826 0.000 1.065 52 R HN 0.743 nan 8.270 nan 0.000 0.452 53 L N 1.976 123.162 121.223 -0.061 0.000 2.012 53 L HA -0.263 4.077 4.340 -0.000 0.000 0.210 53 L C 2.564 179.434 176.870 0.000 0.000 1.073 53 L CA 2.377 57.207 54.840 -0.017 0.000 0.748 53 L CB -0.244 41.783 42.059 -0.053 0.000 0.891 53 L HN 0.328 nan 8.230 nan 0.000 0.431 54 K N -0.636 119.747 120.400 -0.029 0.000 2.032 54 K HA -0.210 4.110 4.320 -0.000 0.000 0.209 54 K C 1.772 178.358 176.600 -0.024 0.000 1.048 54 K CA 1.797 58.071 56.287 -0.022 0.000 0.927 54 K CB -1.204 31.282 32.500 -0.024 0.000 0.712 54 K HN 0.411 nan 8.250 nan 0.000 0.441 55 E N 0.741 120.895 120.200 -0.076 0.000 2.110 55 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 55 E C 2.252 178.775 176.600 -0.128 0.000 0.988 55 E CA 0.969 57.291 56.400 -0.130 0.000 0.804 55 E CB -0.370 29.185 29.700 -0.243 0.000 0.745 55 E HN 0.510 nan 8.360 nan 0.000 0.458 56 H N 0.016 119.054 119.070 -0.052 0.000 2.357 56 H HA -0.032 4.523 4.556 -0.000 0.000 0.301 56 H C 2.310 177.663 175.328 0.041 0.000 1.082 56 H CA 1.087 57.122 56.048 -0.023 0.000 1.342 56 H CB 0.029 29.749 29.762 -0.070 0.000 1.389 56 H HN -0.014 nan 8.280 nan 0.000 0.511 57 V N 1.277 121.282 119.914 0.152 0.000 2.427 57 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 57 V C 2.594 178.883 176.094 0.326 0.000 1.051 57 V CA 1.697 64.123 62.300 0.210 0.000 1.048 57 V CB -0.381 31.518 31.823 0.126 0.000 0.666 57 V HN 0.327 nan 8.190 nan 0.000 0.456 58 K N 0.415 120.914 120.400 0.165 0.000 2.057 58 K HA -0.233 4.087 4.320 -0.000 0.000 0.207 58 K C 2.371 179.070 176.600 0.166 0.000 1.049 58 K CA 1.770 58.138 56.287 0.135 0.000 0.931 58 K CB -0.150 32.371 32.500 0.035 0.000 0.714 58 K HN 0.310 nan 8.250 nan 0.000 0.440 59 R N -0.460 120.113 120.500 0.123 0.000 2.115 59 R HA -0.123 4.216 4.340 -0.000 0.000 0.230 59 R C 2.169 178.560 176.300 0.152 0.000 1.111 59 R CA 1.156 57.309 56.100 0.090 0.000 0.976 59 R CB -0.309 30.006 30.300 0.026 0.000 0.870 59 R HN 0.221 nan 8.270 nan 0.000 0.445 60 F N 0.237 120.224 119.950 0.062 0.000 2.069 60 F HA -0.238 4.289 4.527 0.000 0.000 0.298 60 F C 1.401 177.182 175.800 -0.033 0.000 1.113 60 F CA 1.645 59.649 58.000 0.006 0.000 1.214 60 F CB -0.486 38.519 39.000 0.007 0.000 0.978 60 F HN 0.007 nan 8.300 nan 0.000 0.474 61 Y N 0.334 120.692 120.300 0.098 0.000 2.293 61 Y HA -0.155 4.394 4.550 -0.000 0.000 0.291 61 Y C 2.334 178.201 175.900 -0.054 0.000 1.137 61 Y CA 1.888 59.980 58.100 -0.012 0.000 1.202 61 Y CB -1.085 37.414 38.460 0.066 0.000 0.990 61 Y HN 0.174 nan 8.280 nan 0.000 0.537 62 N N -0.847 117.920 118.700 0.112 0.000 2.142 62 N HA -0.169 4.571 4.740 -0.000 0.000 0.186 62 N C 1.888 177.380 175.510 -0.029 0.000 1.023 62 N CA 1.227 54.299 53.050 0.036 0.000 0.852 62 N CB -0.152 38.351 38.487 0.026 0.000 0.998 62 N HN 0.135 nan 8.380 nan 0.000 0.424 63 S N 0.594 116.253 115.700 -0.069 0.000 2.368 63 S HA -0.115 4.355 4.470 -0.000 0.000 0.225 63 S C 2.116 176.633 174.600 -0.139 0.000 1.030 63 S CA 1.059 59.194 58.200 -0.108 0.000 0.999 63 S CB -0.265 62.851 63.200 -0.140 0.000 0.844 63 S HN 0.457 nan 8.310 nan 0.000 0.459 64 A N 1.745 124.434 122.820 -0.217 0.000 1.902 64 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 64 A C 2.012 179.534 177.584 -0.103 0.000 1.181 64 A CA 1.859 53.773 52.037 -0.206 0.000 0.623 64 A CB -0.551 18.264 19.000 -0.308 0.000 0.818 64 A HN 0.489 nan 8.150 nan 0.000 0.443 65 K N -0.136 120.227 120.400 -0.062 0.000 2.103 65 K HA -0.110 4.210 4.320 -0.000 0.000 0.207 65 K C 1.698 178.277 176.600 -0.036 0.000 1.048 65 K CA 1.585 57.854 56.287 -0.030 0.000 0.930 65 K CB -0.272 32.225 32.500 -0.004 0.000 0.716 65 K HN 0.245 nan 8.250 nan 0.000 0.444 66 V N 1.507 121.395 119.914 -0.045 0.000 2.407 66 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 66 V C 2.029 178.098 176.094 -0.041 0.000 1.055 66 V CA 1.471 63.746 62.300 -0.042 0.000 1.049 66 V CB -0.273 31.520 31.823 -0.049 0.000 0.662 66 V HN 0.351 nan 8.190 nan 0.000 0.455 67 L N -0.871 120.325 121.223 -0.045 0.000 2.592 67 L HA 0.234 4.574 4.340 -0.000 0.000 0.227 67 L C 1.117 177.962 176.870 -0.042 0.000 1.127 67 L CA 0.103 54.921 54.840 -0.036 0.000 0.884 67 L CB -0.174 41.868 42.059 -0.029 0.000 1.065 67 L HN 0.297 nan 8.230 nan 0.000 0.457 68 R N -0.057 120.417 120.500 -0.043 0.000 3.641 68 R HA -0.193 4.147 4.340 -0.000 0.000 0.286 68 R C 0.308 176.577 176.300 -0.052 0.000 1.153 68 R CA 0.559 56.634 56.100 -0.041 0.000 0.775 68 R CB -1.731 28.546 30.300 -0.038 0.000 1.215 68 R HN 0.367 nan 8.270 nan 0.000 0.474 69 M N 1.463 121.025 119.600 -0.063 0.000 2.216 69 M HA 0.132 4.612 4.480 -0.000 0.000 0.356 69 M C -0.081 176.176 176.300 -0.073 0.000 1.205 69 M CA 0.138 55.391 55.300 -0.077 0.000 1.122 69 M CB 0.820 33.364 32.600 -0.094 0.000 1.571 69 M HN -0.062 nan 8.290 nan 0.000 0.464 70 E N 6.369 126.529 120.200 -0.066 0.000 2.146 70 E HA 0.348 4.698 4.350 -0.000 0.000 0.282 70 E C -0.903 175.672 176.600 -0.041 0.000 0.989 70 E CA -0.252 56.123 56.400 -0.041 0.000 0.799 70 E CB 1.307 30.982 29.700 -0.041 0.000 1.088 70 E HN 0.725 nan 8.360 nan 0.000 0.397 71 I N 5.563 126.130 120.570 -0.004 0.000 2.297 71 I HA 0.115 4.284 4.170 -0.000 0.000 0.291 71 I C -1.430 174.758 176.117 0.118 0.000 1.033 71 I CA -1.750 59.578 61.300 0.047 0.000 1.253 71 I CB 1.099 39.057 38.000 -0.069 0.000 1.396 71 I HN 0.135 nan 8.210 nan 0.000 0.476 72 P HA 0.125 nan 4.420 nan 0.000 0.269 72 P C -0.746 176.230 177.300 -0.541 0.000 1.601 72 P CA 0.419 63.370 63.100 -0.249 0.000 0.831 72 P CB -0.419 31.053 31.700 -0.380 0.000 1.688 73 F N -0.154 119.913 119.950 0.194 0.000 2.619 73 F HA 0.548 5.075 4.527 -0.000 0.000 0.308 73 F C 0.251 176.210 175.800 0.264 0.000 1.097 73 F CA -1.324 56.815 58.000 0.231 0.000 0.953 73 F CB 1.335 40.518 39.000 0.305 0.000 1.287 73 F HN -0.172 nan 8.300 nan 0.000 0.446 74 A N 2.825 125.849 122.820 0.339 0.000 2.371 74 A HA 0.494 4.814 4.320 -0.000 0.000 0.257 74 A C -1.947 175.723 177.584 0.143 0.000 1.089 74 A CA -1.253 50.884 52.037 0.167 0.000 0.794 74 A CB 0.225 19.278 19.000 0.089 0.000 1.029 74 A HN 0.603 nan 8.150 nan 0.000 0.488 75 P HA -0.231 nan 4.420 nan 0.000 0.216 75 P C 1.130 178.418 177.300 -0.019 0.000 1.154 75 P CA 1.784 64.784 63.100 -0.166 0.000 0.865 75 P CB 0.133 31.588 31.700 -0.408 0.000 0.789 76 E N 0.335 120.521 120.200 -0.023 0.000 2.118 76 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 76 E C 1.733 178.333 176.600 0.000 0.000 0.992 76 E CA 1.321 57.715 56.400 -0.010 0.000 0.804 76 E CB -1.051 28.649 29.700 0.000 0.000 0.741 76 E HN 0.455 nan 8.360 nan 0.000 0.458 77 E N 0.640 120.869 120.200 0.048 0.000 2.072 77 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 77 E C 2.179 178.692 176.600 -0.146 0.000 0.985 77 E CA 0.647 57.073 56.400 0.044 0.000 0.801 77 E CB -0.163 29.670 29.700 0.222 0.000 0.750 77 E HN 0.075 nan 8.360 nan 0.000 0.452 78 L N 1.681 122.824 121.223 -0.133 0.000 2.093 78 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 78 L C 1.871 178.546 176.870 -0.324 0.000 1.085 78 L CA 1.728 56.359 54.840 -0.349 0.000 0.755 78 L CB -0.120 41.880 42.059 -0.099 0.000 0.904 78 L HN 0.033 nan 8.230 nan 0.000 0.435 79 E N -0.887 119.215 120.200 -0.163 0.000 2.110 79 E HA -0.270 4.080 4.350 -0.000 0.000 0.193 79 E C 1.981 178.493 176.600 -0.146 0.000 0.988 79 E CA 1.155 57.473 56.400 -0.136 0.000 0.804 79 E CB -0.034 29.623 29.700 -0.071 0.000 0.745 79 E HN 0.449 nan 8.360 nan 0.000 0.458 80 E N 1.048 121.167 120.200 -0.135 0.000 2.106 80 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 80 E C 1.824 178.335 176.600 -0.149 0.000 0.984 80 E CA 1.280 57.623 56.400 -0.095 0.000 0.806 80 E CB -0.195 29.481 29.700 -0.039 0.000 0.750 80 E HN 0.213 nan 8.360 nan 0.000 0.458 81 A N 0.484 123.084 122.820 -0.367 0.000 1.933 81 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 81 A C 2.323 179.710 177.584 -0.329 0.000 1.175 81 A CA 1.406 53.077 52.037 -0.610 0.000 0.628 81 A CB -0.633 17.310 19.000 -1.761 0.000 0.814 81 A HN 0.363 nan 8.150 nan 0.000 0.444 82 I N -0.673 119.710 120.570 -0.312 0.000 2.315 82 I HA -0.240 3.930 4.170 -0.000 0.000 0.248 82 I C 2.388 178.448 176.117 -0.094 0.000 1.117 82 I CA 1.398 62.575 61.300 -0.204 0.000 1.404 82 I CB -0.211 37.650 38.000 -0.232 0.000 1.071 82 I HN 0.290 nan 8.210 nan 0.000 0.419 83 K N 0.671 121.025 120.400 -0.077 0.000 2.057 83 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 83 K C 1.971 178.568 176.600 -0.006 0.000 1.050 83 K CA 1.266 57.533 56.287 -0.034 0.000 0.935 83 K CB -0.128 32.356 32.500 -0.026 0.000 0.715 83 K HN 0.325 nan 8.250 nan 0.000 0.439 84 E N 0.636 120.850 120.200 0.024 0.000 2.106 84 E HA -0.151 4.198 4.350 -0.000 0.000 0.192 84 E C 2.002 178.596 176.600 -0.009 0.000 0.984 84 E CA 0.782 57.191 56.400 0.014 0.000 0.806 84 E CB -0.018 29.757 29.700 0.126 0.000 0.750 84 E HN 0.038 nan 8.360 nan 0.000 0.458 85 V N 0.615 120.664 119.914 0.226 0.000 2.594 85 V HA -0.198 3.921 4.120 -0.000 0.000 0.253 85 V C 1.987 178.139 176.094 0.097 0.000 1.069 85 V CA 1.248 63.716 62.300 0.280 0.000 1.082 85 V CB 0.053 32.060 31.823 0.306 0.000 0.680 85 V HN 0.089 nan 8.190 nan 0.000 0.469 86 V N -0.022 119.931 119.914 0.066 0.000 2.302 86 V HA -0.154 3.966 4.120 -0.000 0.000 0.243 86 V C 2.544 178.622 176.094 -0.028 0.000 1.036 86 V CA 2.211 64.564 62.300 0.088 0.000 1.020 86 V CB -0.735 31.128 31.823 0.067 0.000 0.657 86 V HN 0.464 nan 8.190 nan 0.000 0.453 87 R N 0.066 120.532 120.500 -0.057 0.000 2.082 87 R HA -0.143 4.197 4.340 -0.000 0.000 0.234 87 R C 2.535 178.736 176.300 -0.165 0.000 1.136 87 R CA 1.798 57.844 56.100 -0.090 0.000 0.935 87 R CB -0.439 29.812 30.300 -0.081 0.000 0.842 87 R HN 0.402 nan 8.270 nan 0.000 0.430 88 R N 0.277 120.627 120.500 -0.250 0.000 2.127 88 R HA -0.070 4.269 4.340 -0.000 0.000 0.238 88 R C 1.421 177.548 176.300 -0.288 0.000 1.134 88 R CA 1.142 57.055 56.100 -0.311 0.000 0.975 88 R CB -0.190 29.781 30.300 -0.549 0.000 0.865 88 R HN 0.313 nan 8.270 nan 0.000 0.447 89 N N -0.450 118.029 118.700 -0.369 0.000 2.336 89 N HA 0.015 4.755 4.740 -0.000 0.000 0.189 89 N C 0.598 175.767 175.510 -0.569 0.000 1.113 89 N CA 0.850 53.558 53.050 -0.570 0.000 0.858 89 N CB 1.170 39.033 38.487 -1.039 0.000 0.970 89 N HN 0.334 nan 8.380 nan 0.000 0.471 90 G N 1.097 109.709 108.800 -0.314 0.000 2.249 90 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.273 90 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.273 90 G C -0.248 174.639 174.900 -0.022 0.000 1.036 90 G CA 0.055 45.072 45.100 -0.139 0.000 0.824 90 G HN 0.448 nan 8.290 nan 0.000 0.504 91 Y N -1.037 119.271 120.300 0.013 0.000 2.301 91 Y HA 0.483 5.033 4.550 -0.000 0.000 0.328 91 Y C 1.847 177.756 175.900 0.015 0.000 1.242 91 Y CA -0.697 57.415 58.100 0.020 0.000 1.323 91 Y CB 0.817 39.285 38.460 0.013 0.000 1.266 91 Y HN 0.122 nan 8.280 nan 0.000 0.527 92 R N 0.128 120.750 120.500 0.203 0.000 2.207 92 R HA 0.194 4.534 4.340 -0.000 0.000 0.180 92 R C -0.366 175.966 176.300 0.053 0.000 1.445 92 R CA 0.001 56.168 56.100 0.111 0.000 1.217 92 R CB 0.023 30.384 30.300 0.100 0.000 1.135 92 R HN 0.340 nan 8.270 nan 0.000 0.481 93 S N 1.333 117.050 115.700 0.029 0.000 2.422 93 S HA 0.432 4.902 4.470 -0.000 0.000 0.308 93 S C -0.297 174.256 174.600 -0.078 0.000 1.097 93 S CA -0.777 57.386 58.200 -0.063 0.000 1.099 93 S CB 0.959 64.155 63.200 -0.006 0.000 0.976 93 S HN 0.491 nan 8.310 nan 0.000 0.471 94 C N 2.191 121.381 119.300 -0.183 0.000 3.318 94 C HA 0.763 5.223 4.460 -0.000 0.000 0.322 94 C C -1.403 173.447 174.990 -0.233 0.000 1.398 94 C CA -1.224 57.665 59.018 -0.215 0.000 1.339 94 C CB 0.287 27.786 27.740 -0.402 0.000 1.668 94 C HN 0.761 nan 8.230 nan 0.000 0.462 95 Y N 0.881 120.922 120.300 -0.431 0.000 2.352 95 Y HA 0.819 5.369 4.550 -0.000 0.000 0.339 95 Y C -0.495 174.954 175.900 -0.752 0.000 0.992 95 Y CA -1.040 56.753 58.100 -0.511 0.000 1.100 95 Y CB 0.930 39.155 38.460 -0.391 0.000 1.192 95 Y HN 0.728 nan 8.280 nan 0.000 0.458 96 I N 6.497 126.460 120.570 -1.011 0.000 2.404 96 I HA 0.435 4.605 4.170 -0.000 0.000 0.293 96 I C -0.766 174.860 176.117 -0.818 0.000 0.992 96 I CA -0.939 59.912 61.300 -0.748 0.000 1.149 96 I CB 1.684 39.393 38.000 -0.485 0.000 1.315 96 I HN 0.447 nan 8.210 nan 0.000 0.446 97 R N 8.066 128.268 120.500 -0.496 0.000 2.363 97 R HA 0.518 4.858 4.340 -0.000 0.000 0.297 97 R C -2.926 173.334 176.300 -0.067 0.000 1.208 97 R CA -2.115 53.859 56.100 -0.210 0.000 1.121 97 R CB 0.809 31.134 30.300 0.041 0.000 1.124 97 R HN 0.168 nan 8.270 nan 0.000 0.561 98 P HA 0.295 nan 4.420 nan 0.000 0.282 98 P C -1.437 175.951 177.300 0.147 0.000 1.249 98 P CA -0.606 62.384 63.100 -0.184 0.000 0.806 98 P CB 1.203 32.494 31.700 -0.682 0.000 0.984 99 L N 2.122 123.551 121.223 0.343 0.000 2.493 99 L HA 0.782 5.122 4.340 -0.000 0.000 0.265 99 L C -1.578 175.733 176.870 0.735 0.000 0.954 99 L CA -0.614 54.576 54.840 0.583 0.000 0.844 99 L CB 1.737 44.029 42.059 0.389 0.000 1.302 99 L HN 0.421 nan 8.230 nan 0.000 0.405 100 A N 4.086 127.293 122.820 0.644 0.000 2.343 100 A HA 0.859 5.179 4.320 -0.000 0.000 0.316 100 A C -1.718 176.112 177.584 0.410 0.000 1.104 100 A CA -0.336 51.940 52.037 0.398 0.000 0.768 100 A CB 0.643 19.666 19.000 0.039 0.000 1.213 100 A HN 0.950 nan 8.150 nan 0.000 0.456 101 W N 2.026 123.392 121.300 0.109 0.000 3.107 101 W HA 0.728 5.388 4.660 -0.000 0.000 0.331 101 W C -1.102 175.467 176.519 0.083 0.000 1.204 101 W CA -1.274 56.131 57.345 0.099 0.000 1.184 101 W CB 1.028 30.557 29.460 0.114 0.000 1.421 101 W HN 0.357 nan 8.180 nan 0.000 0.544 102 M N 3.676 123.399 119.600 0.205 0.000 2.188 102 M HA 0.304 4.783 4.480 -0.000 0.000 0.354 102 M C 0.672 177.077 176.300 0.175 0.000 1.342 102 M CA -0.114 55.230 55.300 0.072 0.000 1.117 102 M CB 0.100 32.737 32.600 0.061 0.000 1.670 102 M HN 0.874 nan 8.290 nan 0.000 0.466 103 G N 2.153 110.959 108.800 0.010 0.000 2.494 103 G HA2 0.472 4.432 3.960 -0.000 0.000 0.270 103 G HA3 0.472 4.432 3.960 -0.000 0.000 0.270 103 G C 0.158 175.148 174.900 0.151 0.000 1.423 103 G CA -0.097 45.059 45.100 0.093 0.000 1.055 103 G HN 0.809 nan 8.290 nan 0.000 0.536 104 A N -1.056 121.835 122.820 0.118 0.000 2.640 104 A HA 0.325 4.645 4.320 -0.000 0.000 0.282 104 A C 1.699 179.317 177.584 0.056 0.000 1.357 104 A CA -0.032 52.061 52.037 0.093 0.000 0.946 104 A CB -0.176 18.877 19.000 0.088 0.000 1.065 104 A HN 0.562 nan 8.150 nan 0.000 0.541 105 K N -0.068 120.358 120.400 0.044 0.000 2.148 105 K HA 0.199 4.519 4.320 -0.000 0.000 0.204 105 K C 0.665 177.286 176.600 0.034 0.000 1.050 105 K CA 1.162 57.463 56.287 0.023 0.000 0.942 105 K CB -0.012 32.489 32.500 0.001 0.000 0.724 105 K HN 0.582 nan 8.250 nan 0.000 0.446 106 A N -0.135 122.723 122.820 0.064 0.000 2.586 106 A HA 0.467 4.787 4.320 -0.000 0.000 0.291 106 A C -0.975 176.700 177.584 0.152 0.000 1.062 106 A CA -0.706 51.377 52.037 0.077 0.000 0.666 106 A CB 0.756 19.793 19.000 0.061 0.000 1.281 106 A HN 0.085 nan 8.150 nan 0.000 0.421 107 L N 1.397 122.696 121.223 0.127 0.000 3.202 107 L HA 0.334 4.674 4.340 -0.000 0.000 0.278 107 L C 1.133 178.142 176.870 0.230 0.000 1.268 107 L CA -0.012 54.939 54.840 0.184 0.000 1.034 107 L CB 0.540 42.587 42.059 -0.021 0.000 1.407 107 L HN 0.905 nan 8.230 nan 0.000 0.581 108 G N -0.475 108.426 108.800 0.169 0.000 2.527 108 G HA2 0.210 4.170 3.960 -0.000 0.000 0.248 108 G HA3 0.210 4.170 3.960 -0.000 0.000 0.248 108 G C 0.928 175.848 174.900 0.034 0.000 1.231 108 G CA -0.306 44.836 45.100 0.070 0.000 0.838 108 G HN -0.064 nan 8.290 nan 0.000 0.570 109 V N 1.695 121.487 119.914 -0.203 0.000 2.490 109 V HA -0.104 4.016 4.120 -0.000 0.000 0.250 109 V C 1.417 177.490 176.094 -0.035 0.000 1.061 109 V CA 1.417 63.454 62.300 -0.439 0.000 1.064 109 V CB -0.552 31.010 31.823 -0.434 0.000 0.670 109 V HN 0.703 nan 8.190 nan 0.000 0.461 110 N N 1.023 119.721 118.700 -0.004 0.000 2.452 110 N HA 0.060 4.800 4.740 -0.000 0.000 0.266 110 N C -1.464 174.018 175.510 -0.047 0.000 1.209 110 N CA -1.365 51.678 53.050 -0.013 0.000 0.929 110 N CB 1.468 39.939 38.487 -0.027 0.000 1.063 110 N HN 0.283 nan 8.380 nan 0.000 0.472 111 P HA 0.003 nan 4.420 nan 0.000 0.240 111 P C 1.546 178.700 177.300 -0.243 0.000 1.190 111 P CA 0.332 63.172 63.100 -0.432 0.000 0.781 111 P CB 0.510 31.985 31.700 -0.375 0.000 0.931 112 L N 0.356 121.499 121.223 -0.134 0.000 2.043 112 L HA -0.128 4.212 4.340 -0.000 0.000 0.212 112 L C -0.303 176.514 176.870 -0.088 0.000 1.075 112 L CA 2.109 56.892 54.840 -0.095 0.000 0.752 112 L CB -2.491 39.530 42.059 -0.063 0.000 0.891 112 L HN 0.070 nan 8.230 nan 0.000 0.432 113 P HA -0.095 nan 4.420 nan 0.000 0.225 113 P C 0.621 177.882 177.300 -0.065 0.000 1.148 113 P CA 1.094 64.160 63.100 -0.057 0.000 0.779 113 P CB -0.066 31.614 31.700 -0.034 0.000 0.780 114 N N -1.817 116.821 118.700 -0.104 0.000 2.412 114 N HA -0.011 4.729 4.740 -0.000 0.000 0.184 114 N C 0.439 175.889 175.510 -0.100 0.000 1.101 114 N CA 0.177 53.168 53.050 -0.099 0.000 0.881 114 N CB -0.507 37.893 38.487 -0.146 0.000 0.969 114 N HN 0.078 nan 8.380 nan 0.000 0.459 115 N N 1.917 120.557 118.700 -0.099 0.000 2.416 115 N HA 0.076 4.816 4.740 -0.000 0.000 0.246 115 N C -2.260 173.199 175.510 -0.086 0.000 1.260 115 N CA -0.481 52.513 53.050 -0.093 0.000 0.897 115 N CB 0.350 38.789 38.487 -0.080 0.000 1.110 115 N HN 0.161 nan 8.380 nan 0.000 0.439 116 P HA 0.220 nan 4.420 nan 0.000 0.278 116 P C -0.988 176.233 177.300 -0.131 0.000 1.258 116 P CA -0.502 62.536 63.100 -0.103 0.000 0.811 116 P CB 0.683 32.319 31.700 -0.106 0.000 1.063 117 A N 1.471 124.212 122.820 -0.132 0.000 2.366 117 A HA 0.173 4.493 4.320 -0.000 0.000 0.249 117 A C 0.366 177.789 177.584 -0.269 0.000 1.084 117 A CA -0.245 51.674 52.037 -0.196 0.000 0.794 117 A CB -0.284 18.630 19.000 -0.142 0.000 1.034 117 A HN 0.568 nan 8.150 nan 0.000 0.491 118 E N -0.387 119.459 120.200 -0.589 0.000 2.277 118 E HA 0.526 4.876 4.350 -0.000 0.000 0.274 118 E C -1.075 175.098 176.600 -0.711 0.000 1.022 118 E CA -0.545 55.383 56.400 -0.786 0.000 0.853 118 E CB 1.642 30.505 29.700 -1.397 0.000 1.086 118 E HN 0.369 nan 8.360 nan 0.000 0.397 119 V N 2.463 122.221 119.914 -0.261 0.000 2.876 119 V HA 0.531 4.651 4.120 -0.000 0.000 0.312 119 V C -0.543 175.733 176.094 0.302 0.000 1.085 119 V CA -0.935 61.461 62.300 0.160 0.000 0.945 119 V CB 1.544 33.575 31.823 0.347 0.000 1.017 119 V HN 0.747 nan 8.190 nan 0.000 0.428 120 M N 3.572 123.487 119.600 0.524 0.000 2.520 120 M HA 0.923 5.403 4.480 -0.000 0.000 0.283 120 M C -2.031 174.476 176.300 0.346 0.000 1.237 120 M CA -0.569 55.002 55.300 0.453 0.000 0.885 120 M CB 2.264 35.128 32.600 0.440 0.000 1.727 120 M HN 0.188 nan 8.290 nan 0.000 0.468 121 V N 1.922 122.004 119.914 0.281 0.000 2.525 121 V HA 0.988 5.108 4.120 -0.000 0.000 0.299 121 V C -0.566 175.606 176.094 0.130 0.000 1.034 121 V CA -0.201 62.153 62.300 0.090 0.000 0.863 121 V CB 1.175 32.933 31.823 -0.109 0.000 0.999 121 V HN 1.219 nan 8.190 nan 0.000 0.423 122 A N 3.713 126.605 122.820 0.121 0.000 2.423 122 A HA 1.083 5.403 4.320 -0.000 0.000 0.304 122 A C -0.415 177.224 177.584 0.092 0.000 1.104 122 A CA -0.179 51.982 52.037 0.207 0.000 0.757 122 A CB 2.104 21.295 19.000 0.317 0.000 1.313 122 A HN 1.691 nan 8.150 nan 0.000 0.423 123 A N -0.333 122.609 122.820 0.203 0.000 2.606 123 A HA 0.869 5.189 4.320 -0.000 0.000 0.293 123 A C -1.585 176.127 177.584 0.213 0.000 1.082 123 A CA -0.284 51.726 52.037 -0.046 0.000 0.685 123 A CB 0.835 19.869 19.000 0.055 0.000 1.284 123 A HN 2.071 nan 8.150 nan 0.000 0.408 124 W N 0.050 121.274 121.300 -0.128 0.000 3.213 124 W HA 0.692 5.352 4.660 -0.000 0.000 0.318 124 W C -0.667 175.545 176.519 -0.512 0.000 1.248 124 W CA -0.717 56.433 57.345 -0.326 0.000 1.187 124 W CB 0.302 29.727 29.460 -0.058 0.000 1.403 124 W HN 0.754 nan 8.180 nan 0.000 0.556 125 E N 2.231 122.210 120.200 -0.368 0.000 2.442 125 E HA -0.096 4.254 4.350 -0.000 0.000 0.262 125 E C -0.123 176.524 176.600 0.078 0.000 1.004 125 E CA 0.125 56.406 56.400 -0.198 0.000 0.928 125 E CB 1.118 30.793 29.700 -0.041 0.000 0.937 125 E HN 0.459 nan 8.360 nan 0.000 0.446 133 E N 0.629 120.844 120.200 0.026 0.000 2.051 133 E HA 0.438 4.788 4.350 -0.000 0.000 0.189 133 E C 2.515 179.130 176.600 0.024 0.000 0.979 133 E CA 2.483 58.897 56.400 0.023 0.000 0.803 133 E CB -0.799 28.914 29.700 0.021 0.000 0.761 133 E HN 1.267 nan 8.360 nan 0.000 0.451 134 A N 0.376 123.212 122.820 0.027 0.000 1.902 134 A HA 0.029 4.348 4.320 -0.000 0.000 0.217 134 A C 2.700 180.302 177.584 0.030 0.000 1.181 134 A CA 1.893 53.946 52.037 0.027 0.000 0.623 134 A CB -0.798 18.219 19.000 0.028 0.000 0.818 134 A HN 0.769 nan 8.150 nan 0.000 0.443 135 V N 0.038 119.971 119.914 0.032 0.000 2.358 135 V HA -0.184 3.936 4.120 -0.000 0.000 0.246 135 V C 3.017 179.124 176.094 0.022 0.000 1.047 135 V CA 2.889 65.207 62.300 0.030 0.000 1.035 135 V CB -0.950 30.891 31.823 0.031 0.000 0.658 135 V HN 0.695 nan 8.190 nan 0.000 0.452 136 R N 0.063 120.575 120.500 0.021 0.000 2.115 136 R HA -0.064 4.276 4.340 -0.000 0.000 0.230 136 R C 2.321 178.634 176.300 0.022 0.000 1.111 136 R CA 2.207 58.318 56.100 0.018 0.000 0.976 136 R CB -1.539 28.772 30.300 0.018 0.000 0.870 136 R HN 0.714 nan 8.270 nan 0.000 0.445 137 K N -0.271 120.144 120.400 0.024 0.000 2.148 137 K HA 0.325 4.645 4.320 -0.000 0.000 0.204 137 K C 1.633 178.249 176.600 0.026 0.000 1.050 137 K CA 1.336 57.638 56.287 0.025 0.000 0.942 137 K CB -1.098 31.417 32.500 0.025 0.000 0.724 137 K HN 1.964 nan 8.250 nan 0.000 0.446 138 G N -1.651 107.166 108.800 0.027 0.000 2.705 138 G HA2 0.407 4.367 3.960 -0.000 0.000 0.686 138 G HA3 0.407 4.367 3.960 -0.000 0.000 0.686 138 G C 0.055 174.969 174.900 0.024 0.000 1.285 138 G CA -0.005 45.114 45.100 0.031 0.000 0.800 138 G HN 1.425 nan 8.290 nan 0.000 0.611 139 A N 1.585 124.421 122.820 0.027 0.000 2.322 139 A HA 0.819 5.139 4.320 -0.000 0.000 0.269 139 A C 0.791 178.366 177.584 -0.016 0.000 1.094 139 A CA -0.094 51.950 52.037 0.011 0.000 0.807 139 A CB 0.573 19.588 19.000 0.026 0.000 1.047 139 A HN 0.863 nan 8.150 nan 0.000 0.487 140 R N 1.231 121.699 120.500 -0.053 0.000 2.387 140 R HA 0.582 4.922 4.340 -0.000 0.000 0.314 140 R C -1.161 175.055 176.300 -0.141 0.000 0.958 140 R CA -0.353 55.673 56.100 -0.124 0.000 0.846 140 R CB 1.205 31.390 30.300 -0.193 0.000 1.147 140 R HN 0.650 nan 8.270 nan 0.000 0.447 141 L N 3.580 124.717 121.223 -0.143 0.000 2.313 141 L HA 0.683 5.023 4.340 -0.000 0.000 0.268 141 L C -0.146 176.619 176.870 -0.175 0.000 1.010 141 L CA -1.113 53.658 54.840 -0.116 0.000 0.814 141 L CB 1.640 43.669 42.059 -0.050 0.000 1.304 141 L HN 0.473 nan 8.230 nan 0.000 0.441 142 I N -0.017 120.483 120.570 -0.118 0.000 2.569 142 I HA 0.210 4.380 4.170 -0.000 0.000 0.290 142 I C -0.376 175.728 176.117 -0.022 0.000 1.088 142 I CA -0.414 60.826 61.300 -0.101 0.000 1.047 142 I CB 2.606 40.546 38.000 -0.100 0.000 1.237 142 I HN 0.542 nan 8.210 nan 0.000 0.421 143 T N 3.756 118.314 114.554 0.007 0.000 2.870 143 T HA 0.063 4.413 4.350 -0.000 0.000 0.300 143 T C 0.272 174.988 174.700 0.028 0.000 0.989 143 T CA 0.155 62.264 62.100 0.015 0.000 1.139 143 T CB 0.873 69.753 68.868 0.020 0.000 0.920 143 T HN 0.565 nan 8.240 nan 0.000 0.537 144 S N 1.524 117.245 115.700 0.036 0.000 2.603 144 S HA 0.202 4.672 4.470 -0.000 0.000 0.268 144 S C 1.452 176.073 174.600 0.035 0.000 1.317 144 S CA -0.487 57.758 58.200 0.074 0.000 1.012 144 S CB 0.463 63.738 63.200 0.125 0.000 0.926 144 S HN 0.794 nan 8.310 nan 0.000 0.539 145 S N 2.043 117.749 115.700 0.010 0.000 2.575 145 S HA 0.186 4.656 4.470 -0.000 0.000 0.215 145 S C -0.373 174.044 174.600 -0.306 0.000 0.966 145 S CA -0.588 57.519 58.200 -0.155 0.000 0.911 145 S CB -0.252 62.814 63.200 -0.223 0.000 0.780 145 S HN 0.651 nan 8.310 nan 0.000 0.514 146 W N 1.853 123.138 121.300 -0.025 0.000 2.429 146 W HA 0.739 5.398 4.660 -0.000 0.000 0.314 146 W C 0.169 176.650 176.519 -0.064 0.000 1.062 146 W CA -0.834 56.490 57.345 -0.035 0.000 1.211 146 W CB 1.124 30.564 29.460 -0.034 0.000 1.305 146 W HN 0.171 nan 8.180 nan 0.000 0.476 147 A N 3.548 126.438 122.820 0.117 0.000 2.327 147 A HA 0.640 4.960 4.320 -0.000 0.000 0.283 147 A C -0.014 177.549 177.584 -0.036 0.000 1.127 147 A CA -0.760 51.293 52.037 0.027 0.000 0.810 147 A CB 0.467 19.474 19.000 0.011 0.000 1.066 147 A HN 0.666 nan 8.150 nan 0.000 0.492 148 R N 1.556 121.970 120.500 -0.144 0.000 2.537 148 R HA 0.322 4.661 4.340 -0.000 0.000 0.280 148 R C -0.591 175.534 176.300 -0.293 0.000 1.058 148 R CA -0.219 55.636 56.100 -0.409 0.000 1.057 148 R CB -0.420 29.675 30.300 -0.340 0.000 0.973 148 R HN 0.566 nan 8.270 nan 0.000 0.438 149 F N 3.537 123.506 119.950 0.032 0.000 2.607 149 F HA 0.318 4.845 4.527 -0.000 0.000 0.374 149 F C -1.946 173.867 175.800 0.022 0.000 1.104 149 F CA -2.801 55.218 58.000 0.031 0.000 1.296 149 F CB -0.767 38.244 39.000 0.018 0.000 1.085 149 F HN 0.457 nan 8.300 nan 0.000 0.584 150 P HA 0.119 nan 4.420 nan 0.000 0.270 150 P C 0.256 177.649 177.300 0.155 0.000 1.223 150 P CA 0.252 63.444 63.100 0.154 0.000 0.785 150 P CB 0.747 32.510 31.700 0.105 0.000 0.923 151 A N 2.234 125.115 122.820 0.102 0.000 2.216 151 A HA -0.126 4.194 4.320 -0.000 0.000 0.214 151 A C 1.094 178.696 177.584 0.030 0.000 1.160 151 A CA 1.209 53.286 52.037 0.067 0.000 0.725 151 A CB -1.079 17.950 19.000 0.048 0.000 0.784 151 A HN 0.683 nan 8.150 nan 0.000 0.472 152 N N -1.089 117.631 118.700 0.034 0.000 2.235 152 N HA 0.148 4.888 4.740 -0.000 0.000 0.231 152 N C 0.391 175.908 175.510 0.013 0.000 1.177 152 N CA 0.524 53.582 53.050 0.014 0.000 0.874 152 N CB 0.253 38.750 38.487 0.017 0.000 1.097 152 N HN 0.125 nan 8.380 nan 0.000 0.518 153 V N -0.542 119.383 119.914 0.018 0.000 2.948 153 V HA 0.395 4.515 4.120 -0.000 0.000 0.234 153 V C 0.342 176.395 176.094 -0.068 0.000 1.205 153 V CA 0.761 63.071 62.300 0.016 0.000 1.234 153 V CB 0.180 32.057 31.823 0.089 0.000 1.020 153 V HN 0.178 nan 8.190 nan 0.000 0.491 154 M N 1.338 120.831 119.600 -0.178 0.000 2.501 154 M HA 0.434 4.914 4.480 -0.000 0.000 0.293 154 M C -3.036 173.012 176.300 -0.419 0.000 1.192 154 M CA -1.927 53.103 55.300 -0.449 0.000 0.886 154 M CB 2.037 33.997 32.600 -1.066 0.000 1.710 154 M HN -0.051 nan 8.290 nan 0.000 0.457 155 P HA 0.159 nan 4.420 nan 0.000 0.260 155 P C 0.799 177.995 177.300 -0.174 0.000 1.651 155 P CA 0.117 63.106 63.100 -0.184 0.000 1.139 155 P CB -0.268 31.358 31.700 -0.123 0.000 1.756 156 G N 3.748 112.506 108.800 -0.071 0.000 2.535 156 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.218 156 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.218 156 G C 1.296 176.240 174.900 0.073 0.000 1.122 156 G CA 0.265 45.444 45.100 0.131 0.000 0.769 156 G HN 0.312 nan 8.290 nan 0.000 0.549 157 K N 0.317 120.721 120.400 0.007 0.000 2.426 157 K HA 0.324 4.644 4.320 -0.000 0.000 0.193 157 K C 0.856 177.441 176.600 -0.025 0.000 1.028 157 K CA 0.266 56.541 56.287 -0.020 0.000 1.047 157 K CB 0.551 33.022 32.500 -0.049 0.000 0.821 157 K HN 0.292 nan 8.250 nan 0.000 0.513 158 A N 1.175 123.980 122.820 -0.024 0.000 2.337 158 A HA 0.455 4.775 4.320 -0.000 0.000 0.331 158 A C -0.581 176.997 177.584 -0.010 0.000 1.137 158 A CA -0.658 51.359 52.037 -0.034 0.000 0.807 158 A CB 0.942 19.911 19.000 -0.052 0.000 1.250 158 A HN 0.022 nan 8.150 nan 0.000 0.468 159 K N 1.652 122.014 120.400 -0.064 0.000 2.363 159 K HA 0.353 4.673 4.320 -0.000 0.000 0.240 159 K C -0.962 175.582 176.600 -0.093 0.000 1.169 159 K CA -0.098 56.110 56.287 -0.131 0.000 1.131 159 K CB 0.484 32.631 32.500 -0.589 0.000 1.771 159 K HN 0.391 nan 8.250 nan 0.000 0.380 160 V N 1.496 121.481 119.914 0.118 0.000 2.498 160 V HA 0.064 4.184 4.120 -0.000 0.000 0.279 160 V C 1.735 178.062 176.094 0.388 0.000 1.048 160 V CA 0.032 62.431 62.300 0.164 0.000 0.967 160 V CB 1.311 33.171 31.823 0.061 0.000 0.988 160 V HN 0.869 nan 8.190 nan 0.000 0.473 161 G N 4.298 113.346 108.800 0.413 0.000 2.574 161 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.220 161 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.220 161 G C 1.571 176.708 174.900 0.395 0.000 1.173 161 G CA 1.149 46.521 45.100 0.453 0.000 0.772 161 G HN 0.980 nan 8.290 nan 0.000 0.585 162 G N 0.857 109.807 108.800 0.250 0.000 2.475 162 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.220 162 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.220 162 G C 1.726 176.721 174.900 0.158 0.000 1.125 162 G CA 1.228 46.433 45.100 0.174 0.000 0.755 162 G HN 0.437 nan 8.290 nan 0.000 0.565 163 N N 0.200 118.983 118.700 0.139 0.000 2.149 163 N HA -0.114 4.626 4.740 -0.000 0.000 0.188 163 N C 1.499 177.070 175.510 0.102 0.000 1.019 163 N CA 0.841 53.906 53.050 0.024 0.000 0.857 163 N CB -0.480 37.933 38.487 -0.124 0.000 0.997 163 N HN 0.478 nan 8.380 nan 0.000 0.426 164 Y N 0.044 120.491 120.300 0.245 0.000 2.632 164 Y HA 0.049 4.599 4.550 -0.000 0.000 0.301 164 Y C 2.011 177.969 175.900 0.098 0.000 1.172 164 Y CA -0.047 58.175 58.100 0.202 0.000 1.328 164 Y CB -0.223 38.375 38.460 0.230 0.000 1.016 164 Y HN -0.133 nan 8.280 nan 0.000 0.529 165 V N 0.324 120.321 119.914 0.138 0.000 2.427 165 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 165 V C 2.415 178.455 176.094 -0.090 0.000 1.051 165 V CA 1.948 64.258 62.300 0.017 0.000 1.048 165 V CB -0.441 31.387 31.823 0.008 0.000 0.666 165 V HN 0.578 nan 8.190 nan 0.000 0.456 166 N N 0.043 118.728 118.700 -0.025 0.000 2.120 166 N HA -0.159 4.581 4.740 -0.000 0.000 0.188 166 N C 1.924 177.336 175.510 -0.163 0.000 1.024 166 N CA 1.860 54.841 53.050 -0.115 0.000 0.852 166 N CB 0.069 38.553 38.487 -0.004 0.000 1.003 166 N HN 0.431 nan 8.380 nan 0.000 0.424 167 S N 0.589 116.233 115.700 -0.095 0.000 2.368 167 S HA -0.012 4.458 4.470 -0.000 0.000 0.224 167 S C 2.131 176.718 174.600 -0.022 0.000 1.029 167 S CA 1.023 59.195 58.200 -0.046 0.000 0.988 167 S CB -0.309 62.918 63.200 0.044 0.000 0.838 167 S HN 0.566 nan 8.310 nan 0.000 0.462 168 A N 1.507 124.318 122.820 -0.015 0.000 1.902 168 A HA -0.021 4.299 4.320 -0.000 0.000 0.217 168 A C 2.118 179.624 177.584 -0.130 0.000 1.181 168 A CA 1.181 53.194 52.037 -0.039 0.000 0.623 168 A CB -0.763 18.220 19.000 -0.028 0.000 0.818 168 A HN 0.444 nan 8.150 nan 0.000 0.443 169 L N -0.865 120.187 121.223 -0.286 0.000 2.046 169 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 169 L C 3.101 179.797 176.870 -0.291 0.000 1.077 169 L CA 1.106 55.655 54.840 -0.486 0.000 0.747 169 L CB -0.506 40.821 42.059 -1.221 0.000 0.896 169 L HN 0.449 nan 8.230 nan 0.000 0.432 170 A N -0.058 122.648 122.820 -0.190 0.000 1.898 170 A HA -0.232 4.087 4.320 -0.000 0.000 0.216 170 A C 2.293 179.894 177.584 0.028 0.000 1.181 170 A CA 1.861 53.909 52.037 0.019 0.000 0.620 170 A CB -0.380 18.636 19.000 0.026 0.000 0.819 170 A HN 0.210 nan 8.150 nan 0.000 0.442 171 K N -0.089 120.311 120.400 0.000 0.000 2.026 171 K HA -0.043 4.277 4.320 -0.000 0.000 0.208 171 K C 1.966 178.575 176.600 0.016 0.000 1.048 171 K CA 1.980 58.277 56.287 0.016 0.000 0.929 171 K CB -0.474 32.038 32.500 0.020 0.000 0.713 171 K HN 0.495 nan 8.250 nan 0.000 0.439 172 M N 0.254 119.855 119.600 0.002 0.000 2.108 172 M HA -0.188 4.292 4.480 -0.000 0.000 0.261 172 M C 2.255 178.581 176.300 0.044 0.000 1.066 172 M CA 2.004 57.311 55.300 0.012 0.000 1.107 172 M CB -0.430 32.167 32.600 -0.004 0.000 1.356 172 M HN 0.334 nan 8.290 nan 0.000 0.406 173 E N 0.527 120.771 120.200 0.073 0.000 2.051 173 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 173 E C 1.953 178.604 176.600 0.086 0.000 0.991 173 E CA 1.428 57.896 56.400 0.113 0.000 0.799 173 E CB 0.022 29.838 29.700 0.193 0.000 0.748 173 E HN 0.470 nan 8.360 nan 0.000 0.449 174 A N 0.555 123.415 122.820 0.066 0.000 1.877 174 A HA -0.139 4.180 4.320 -0.000 0.000 0.216 174 A C 2.428 180.033 177.584 0.036 0.000 1.186 174 A CA 1.541 53.602 52.037 0.041 0.000 0.620 174 A CB -0.739 18.273 19.000 0.021 0.000 0.822 174 A HN 0.235 nan 8.150 nan 0.000 0.443 175 V N -0.109 119.825 119.914 0.033 0.000 2.343 175 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 175 V C 3.033 179.155 176.094 0.047 0.000 1.051 175 V CA 1.893 64.211 62.300 0.030 0.000 1.036 175 V CB -1.192 30.642 31.823 0.018 0.000 0.654 175 V HN 0.617 nan 8.190 nan 0.000 0.451 176 A N -0.085 122.768 122.820 0.054 0.000 1.972 176 A HA -0.047 4.273 4.320 -0.000 0.000 0.219 176 A C 2.235 179.871 177.584 0.086 0.000 1.169 176 A CA 1.803 53.877 52.037 0.062 0.000 0.635 176 A CB -0.538 18.500 19.000 0.063 0.000 0.810 176 A HN 0.595 nan 8.150 nan 0.000 0.446 177 A N -1.957 120.925 122.820 0.104 0.000 2.238 177 A HA 0.413 4.733 4.320 -0.000 0.000 0.208 177 A C 1.731 179.451 177.584 0.226 0.000 1.177 177 A CA 1.188 53.322 52.037 0.162 0.000 0.804 177 A CB -0.824 18.273 19.000 0.162 0.000 0.823 177 A HN 1.862 nan 8.150 nan 0.000 0.482 178 G N -2.335 106.554 108.800 0.149 0.000 2.141 178 G HA2 0.129 4.089 3.960 -0.000 0.000 0.231 178 G HA3 0.129 4.089 3.960 -0.000 0.000 0.231 178 G C 0.359 175.299 174.900 0.067 0.000 0.984 178 G CA 0.326 45.523 45.100 0.162 0.000 0.660 178 G HN 1.506 nan 8.290 nan 0.000 0.525 179 A N -0.544 122.270 122.820 -0.011 0.000 2.256 179 A HA 0.737 5.057 4.320 -0.000 0.000 0.318 179 A C 1.001 178.558 177.584 -0.045 0.000 1.103 179 A CA 0.407 52.383 52.037 -0.102 0.000 0.860 179 A CB 0.709 19.616 19.000 -0.155 0.000 1.182 179 A HN 0.034 nan 8.150 nan 0.000 0.501 180 D N -0.820 119.548 120.400 -0.053 0.000 2.240 180 D HA 0.127 4.767 4.640 -0.000 0.000 0.206 180 D C 0.166 176.462 176.300 -0.007 0.000 0.963 180 D CA 1.193 55.181 54.000 -0.020 0.000 0.863 180 D CB 0.527 41.319 40.800 -0.013 0.000 0.973 180 D HN 0.571 nan 8.370 nan 0.000 0.501 181 E N -0.658 119.533 120.200 -0.015 0.000 2.430 181 E HA 0.564 4.914 4.350 -0.000 0.000 0.279 181 E C -1.788 174.809 176.600 -0.004 0.000 1.003 181 E CA -0.867 55.535 56.400 0.004 0.000 0.801 181 E CB 1.760 31.472 29.700 0.020 0.000 1.313 181 E HN -0.074 nan 8.360 nan 0.000 0.459 182 A N 2.296 125.123 122.820 0.012 0.000 2.303 182 A HA 0.705 5.025 4.320 -0.000 0.000 0.317 182 A C -1.059 176.530 177.584 0.008 0.000 1.149 182 A CA -0.666 51.379 52.037 0.013 0.000 0.822 182 A CB 0.518 19.537 19.000 0.031 0.000 1.131 182 A HN 0.583 nan 8.150 nan 0.000 0.493 183 L N 2.836 124.059 121.223 0.001 0.000 2.319 183 L HA 0.607 4.946 4.340 -0.000 0.000 0.281 183 L C -1.675 175.189 176.870 -0.010 0.000 1.005 183 L CA -0.737 54.097 54.840 -0.009 0.000 0.828 183 L CB 0.865 42.912 42.059 -0.020 0.000 1.227 183 L HN 0.618 nan 8.230 nan 0.000 0.415 184 L N 5.432 126.644 121.223 -0.019 0.000 2.325 184 L HA 0.516 4.855 4.340 -0.000 0.000 0.279 184 L C -0.144 176.704 176.870 -0.037 0.000 1.054 184 L CA -0.029 54.797 54.840 -0.025 0.000 0.804 184 L CB 1.583 43.611 42.059 -0.053 0.000 1.200 184 L HN 0.536 nan 8.230 nan 0.000 0.436 185 L N 0.913 122.117 121.223 -0.032 0.000 2.358 185 L HA 0.521 4.861 4.340 -0.000 0.000 0.268 185 L C -0.316 176.542 176.870 -0.020 0.000 1.032 185 L CA -1.137 53.685 54.840 -0.029 0.000 0.805 185 L CB 1.440 43.473 42.059 -0.044 0.000 1.253 185 L HN 0.640 nan 8.230 nan 0.000 0.452 186 D N -0.901 119.506 120.400 0.011 0.000 2.433 186 D HA 0.026 4.666 4.640 -0.000 0.000 0.255 186 D C 0.597 176.911 176.300 0.024 0.000 1.226 186 D CA -0.512 53.500 54.000 0.020 0.000 1.015 186 D CB 0.650 41.483 40.800 0.055 0.000 1.091 186 D HN 0.481 nan 8.370 nan 0.000 0.527 187 E N -0.919 119.301 120.200 0.033 0.000 2.265 187 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 187 E C 1.107 177.721 176.600 0.024 0.000 0.996 187 E CA 1.143 57.559 56.400 0.026 0.000 0.832 187 E CB -0.052 29.671 29.700 0.038 0.000 0.756 187 E HN 0.469 nan 8.360 nan 0.000 0.491 188 E N -1.575 118.661 120.200 0.060 0.000 2.481 188 E HA 0.194 4.544 4.350 -0.000 0.000 0.195 188 E C 1.148 177.739 176.600 -0.015 0.000 1.047 188 E CA 0.724 57.167 56.400 0.072 0.000 0.867 188 E CB 0.372 30.186 29.700 0.189 0.000 0.858 188 E HN 0.319 nan 8.360 nan 0.000 0.513 189 G N -0.862 107.914 108.800 -0.039 0.000 2.184 189 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.206 189 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.206 189 G C -0.177 174.580 174.900 -0.237 0.000 0.995 189 G CA -0.301 44.703 45.100 -0.160 0.000 0.651 189 G HN 0.221 nan 8.290 nan 0.000 0.511 190 Y N 0.138 120.400 120.300 -0.063 0.000 2.316 190 Y HA 0.522 5.072 4.550 -0.000 0.000 0.324 190 Y C 1.308 177.157 175.900 -0.085 0.000 1.267 190 Y CA -0.634 57.419 58.100 -0.078 0.000 1.311 190 Y CB 1.155 39.578 38.460 -0.062 0.000 1.267 190 Y HN 0.045 nan 8.280 nan 0.000 0.516 191 V N 2.501 122.455 119.914 0.068 0.000 2.655 191 V HA 0.144 4.264 4.120 -0.000 0.000 0.300 191 V C 0.508 176.607 176.094 0.010 0.000 1.044 191 V CA 0.794 63.088 62.300 -0.010 0.000 1.095 191 V CB 0.473 32.260 31.823 -0.060 0.000 0.952 191 V HN 1.040 nan 8.190 nan 0.000 0.485 192 A N 4.387 127.198 122.820 -0.016 0.000 2.213 192 A HA 0.567 4.887 4.320 -0.000 0.000 0.220 192 A C 0.463 178.028 177.584 -0.030 0.000 2.232 192 A CA 0.565 52.588 52.037 -0.022 0.000 1.017 192 A CB 0.305 19.280 19.000 -0.042 0.000 1.372 192 A HN 0.895 nan 8.150 nan 0.000 0.614 193 E N -2.267 117.912 120.200 -0.035 0.000 2.449 193 E HA 0.512 4.861 4.350 -0.000 0.000 0.278 193 E C -0.011 176.581 176.600 -0.013 0.000 1.059 193 E CA -0.651 55.738 56.400 -0.018 0.000 0.854 193 E CB 0.452 30.150 29.700 -0.005 0.000 1.465 193 E HN 0.547 nan 8.360 nan 0.000 0.462 194 G N -0.156 108.653 108.800 0.015 0.000 2.621 194 G HA2 0.252 4.212 3.960 -0.000 0.000 0.271 194 G HA3 0.252 4.212 3.960 -0.000 0.000 0.271 194 G C 0.859 175.775 174.900 0.027 0.000 1.236 194 G CA -0.010 45.105 45.100 0.025 0.000 0.958 194 G HN 0.606 nan 8.290 nan 0.000 0.512 195 S N -1.551 114.172 115.700 0.037 0.000 2.442 195 S HA 0.081 4.551 4.470 -0.000 0.000 0.236 195 S C 1.550 176.219 174.600 0.115 0.000 1.007 195 S CA 1.310 59.537 58.200 0.045 0.000 0.965 195 S CB 0.048 63.281 63.200 0.055 0.000 0.773 195 S HN 1.385 nan 8.310 nan 0.000 0.504 196 G N 0.930 109.814 108.800 0.139 0.000 4.765 196 G HA2 0.397 4.357 3.960 -0.000 0.000 0.276 196 G HA3 0.397 4.357 3.960 -0.000 0.000 0.276 196 G C -0.432 174.575 174.900 0.179 0.000 0.986 196 G CA -0.300 44.928 45.100 0.212 0.000 0.755 196 G HN 0.532 nan 8.290 nan 0.000 0.391 197 E N 0.025 120.304 120.200 0.131 0.000 2.413 197 E HA 0.279 4.629 4.350 -0.000 0.000 0.277 197 E C -1.448 175.212 176.600 0.100 0.000 0.958 197 E CA -0.916 55.559 56.400 0.125 0.000 0.779 197 E CB 0.849 30.623 29.700 0.122 0.000 1.278 197 E HN 0.050 nan 8.360 nan 0.000 0.456 198 N N 0.296 119.065 118.700 0.115 0.000 2.493 198 N HA 0.418 5.158 4.740 -0.000 0.000 0.275 198 N C -0.579 174.987 175.510 0.094 0.000 1.186 198 N CA -0.616 52.481 53.050 0.079 0.000 0.978 198 N CB 0.890 39.426 38.487 0.082 0.000 1.184 198 N HN 0.249 nan 8.380 nan 0.000 0.487 199 L N 1.786 123.001 121.223 -0.014 0.000 2.334 199 L HA 0.586 4.926 4.340 -0.000 0.000 0.273 199 L C -0.930 175.840 176.870 -0.166 0.000 1.013 199 L CA -0.325 54.508 54.840 -0.012 0.000 0.816 199 L CB 0.886 42.933 42.059 -0.020 0.000 1.278 199 L HN 0.550 nan 8.230 nan 0.000 0.431 200 F N 1.798 121.510 119.950 -0.397 0.000 2.626 200 F HA 0.642 5.169 4.527 -0.000 0.000 0.311 200 F C -0.149 175.448 175.800 -0.337 0.000 1.088 200 F CA -0.801 56.866 58.000 -0.555 0.000 0.949 200 F CB 2.039 40.199 39.000 -1.400 0.000 1.322 200 F HN 0.328 nan 8.300 nan 0.000 0.461 201 F N -0.845 119.069 119.950 -0.060 0.000 2.645 201 F HA 0.913 5.440 4.527 -0.000 0.000 0.310 201 F C -2.069 173.857 175.800 0.210 0.000 1.102 201 F CA -1.391 56.632 58.000 0.039 0.000 0.952 201 F CB 1.220 40.231 39.000 0.018 0.000 1.326 201 F HN 0.204 nan 8.300 nan 0.000 0.456 202 V N 2.077 122.200 119.914 0.348 0.000 2.656 202 V HA 0.799 4.919 4.120 -0.000 0.000 0.307 202 V C -1.016 175.282 176.094 0.341 0.000 1.051 202 V CA -0.625 61.831 62.300 0.260 0.000 0.893 202 V CB 1.719 33.659 31.823 0.195 0.000 0.999 202 V HN 0.861 nan 8.190 nan 0.000 0.426 203 R N 2.727 123.442 120.500 0.359 0.000 2.510 203 R HA 0.497 4.837 4.340 -0.000 0.000 0.287 203 R C -0.914 175.547 176.300 0.268 0.000 1.084 203 R CA -0.310 55.987 56.100 0.327 0.000 0.934 203 R CB 0.791 31.310 30.300 0.364 0.000 1.201 203 R HN 0.725 nan 8.270 nan 0.000 0.431 204 D N 3.773 124.284 120.400 0.185 0.000 2.689 204 D HA -0.178 4.462 4.640 -0.000 0.000 0.237 204 D C 0.740 177.120 176.300 0.133 0.000 1.148 204 D CA 2.197 56.284 54.000 0.145 0.000 0.656 204 D CB -1.084 39.800 40.800 0.139 0.000 1.050 204 D HN 1.055 nan 8.370 nan 0.000 0.426 205 G N -2.460 106.422 108.800 0.137 0.000 2.212 205 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.266 205 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.266 205 G C 0.411 175.388 174.900 0.128 0.000 0.978 205 G CA 0.363 45.551 45.100 0.146 0.000 0.632 205 G HN 0.654 nan 8.290 nan 0.000 0.537 206 V N 1.843 121.791 119.914 0.057 0.000 2.472 206 V HA 0.584 4.704 4.120 -0.000 0.000 0.290 206 V C 0.782 176.705 176.094 -0.285 0.000 1.037 206 V CA -0.718 61.501 62.300 -0.136 0.000 0.908 206 V CB 1.773 33.431 31.823 -0.276 0.000 0.985 206 V HN 0.296 nan 8.190 nan 0.000 0.454 207 I N 4.734 125.114 120.570 -0.317 0.000 2.342 207 I HA 0.332 4.502 4.170 -0.000 0.000 0.291 207 I C -1.025 174.786 176.117 -0.510 0.000 1.010 207 I CA -0.282 60.868 61.300 -0.250 0.000 1.308 207 I CB 0.779 38.742 38.000 -0.062 0.000 1.400 207 I HN 0.532 nan 8.210 nan 0.000 0.488 208 Y N 5.211 125.286 120.300 -0.374 0.000 2.356 208 Y HA 0.568 5.117 4.550 -0.000 0.000 0.334 208 Y C 0.438 176.059 175.900 -0.464 0.000 0.958 208 Y CA -0.726 57.023 58.100 -0.584 0.000 1.196 208 Y CB 1.522 39.147 38.460 -1.391 0.000 1.137 208 Y HN 0.581 nan 8.280 nan 0.000 0.485 209 A N 4.030 126.687 122.820 -0.273 0.000 2.309 209 A HA 0.625 4.944 4.320 -0.000 0.000 0.298 209 A C -0.749 176.575 177.584 -0.434 0.000 1.165 209 A CA -0.592 51.053 52.037 -0.655 0.000 0.821 209 A CB 0.412 19.045 19.000 -0.611 0.000 1.102 209 A HN 0.695 nan 8.150 nan 0.000 0.500 210 L N 1.914 122.864 121.223 -0.456 0.000 2.439 210 L HA 0.167 4.507 4.340 -0.000 0.000 0.269 210 L C 1.018 177.722 176.870 -0.276 0.000 1.179 210 L CA 0.567 55.267 54.840 -0.235 0.000 0.828 210 L CB 0.282 42.245 42.059 -0.161 0.000 1.106 210 L HN 0.791 nan 8.230 nan 0.000 0.467 211 E N 1.571 121.653 120.200 -0.196 0.000 2.425 211 E HA -0.060 4.290 4.350 -0.000 0.000 0.258 211 E C 0.654 177.142 176.600 -0.186 0.000 1.151 211 E CA -0.208 56.059 56.400 -0.221 0.000 0.958 211 E CB 0.361 29.980 29.700 -0.135 0.000 0.968 211 E HN 0.470 nan 8.360 nan 0.000 0.451 212 H N 1.007 120.036 119.070 -0.069 0.000 2.423 212 H HA -0.141 4.415 4.556 -0.000 0.000 0.297 212 H C 1.768 177.074 175.328 -0.036 0.000 1.075 212 H CA 1.135 57.153 56.048 -0.050 0.000 1.342 212 H CB -0.291 29.451 29.762 -0.034 0.000 1.395 212 H HN 0.698 nan 8.280 nan 0.000 0.530 213 S N 0.273 116.015 115.700 0.070 0.000 4.135 213 S HA -0.326 4.144 4.470 -0.000 0.000 0.538 213 S C 1.725 176.359 174.600 0.057 0.000 1.522 213 S CA 2.881 61.100 58.200 0.031 0.000 3.869 213 S CB -1.459 61.736 63.200 -0.008 0.000 1.628 213 S HN 0.376 nan 8.310 nan 0.000 0.492 214 V N -0.121 119.826 119.914 0.055 0.000 3.514 214 V HA 0.427 4.547 4.120 -0.000 0.000 0.301 214 V C 0.578 176.734 176.094 0.104 0.000 1.346 214 V CA -0.021 62.334 62.300 0.090 0.000 1.156 214 V CB -1.260 30.623 31.823 0.101 0.000 1.029 214 V HN 0.590 nan 8.190 nan 0.000 0.428 215 N N 0.946 119.692 118.700 0.077 0.000 2.413 215 N HA 0.463 5.203 4.740 -0.000 0.000 0.266 215 N C -0.592 174.966 175.510 0.079 0.000 1.238 215 N CA -0.523 52.571 53.050 0.073 0.000 0.972 215 N CB 1.674 40.197 38.487 0.060 0.000 1.210 215 N HN 0.287 nan 8.380 nan 0.000 0.547 216 L N 0.585 121.855 121.223 0.078 0.000 2.371 216 L HA 0.129 4.469 4.340 -0.000 0.000 0.272 216 L C 0.223 177.116 176.870 0.038 0.000 1.124 216 L CA 0.044 54.916 54.840 0.055 0.000 0.816 216 L CB 0.349 42.461 42.059 0.088 0.000 1.129 216 L HN 0.412 nan 8.230 nan 0.000 0.448 217 E N 4.042 124.207 120.200 -0.059 0.000 1.814 217 E HA 0.210 4.560 4.350 -0.000 0.000 0.264 217 E C 0.141 176.743 176.600 0.004 0.000 1.179 217 E CA -0.231 56.104 56.400 -0.109 0.000 0.972 217 E CB 0.163 29.641 29.700 -0.370 0.000 1.077 217 E HN 0.838 nan 8.360 nan 0.000 0.417 218 G N 2.282 111.130 108.800 0.080 0.000 2.353 218 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.239 218 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.239 218 G C 0.778 175.702 174.900 0.039 0.000 1.295 218 G CA -0.309 44.836 45.100 0.074 0.000 0.884 218 G HN 0.563 nan 8.290 nan 0.000 0.537 219 I N 1.345 121.905 120.570 -0.017 0.000 2.500 219 I HA -0.105 4.065 4.170 -0.000 0.000 0.252 219 I C 2.727 178.836 176.117 -0.014 0.000 1.142 219 I CA 0.992 62.236 61.300 -0.094 0.000 1.451 219 I CB -0.001 37.830 38.000 -0.283 0.000 1.093 219 I HN 0.503 nan 8.210 nan 0.000 0.430 220 T N 0.321 114.911 114.554 0.060 0.000 2.812 220 T HA -0.162 4.187 4.350 -0.000 0.000 0.264 220 T C 1.990 176.707 174.700 0.029 0.000 1.042 220 T CA 0.996 63.109 62.100 0.021 0.000 1.140 220 T CB -0.246 68.594 68.868 -0.046 0.000 0.870 220 T HN 0.309 nan 8.240 nan 0.000 0.445 221 R N 1.243 121.827 120.500 0.140 0.000 2.083 221 R HA -0.178 4.162 4.340 -0.000 0.000 0.237 221 R C 2.169 178.624 176.300 0.258 0.000 1.137 221 R CA 2.209 58.501 56.100 0.319 0.000 0.951 221 R CB -0.481 29.972 30.300 0.255 0.000 0.851 221 R HN 0.408 nan 8.270 nan 0.000 0.434 222 D N -0.395 120.086 120.400 0.134 0.000 2.097 222 D HA -0.121 4.519 4.640 -0.000 0.000 0.195 222 D C 1.676 178.033 176.300 0.095 0.000 0.989 222 D CA 1.930 55.993 54.000 0.106 0.000 0.827 222 D CB 0.066 40.888 40.800 0.037 0.000 0.966 222 D HN 0.193 nan 8.370 nan 0.000 0.456 223 S N -0.764 114.927 115.700 -0.016 0.000 2.368 223 S HA -0.136 4.334 4.470 -0.000 0.000 0.225 223 S C 2.174 176.841 174.600 0.112 0.000 1.030 223 S CA 1.002 59.155 58.200 -0.079 0.000 0.999 223 S CB -0.297 62.785 63.200 -0.196 0.000 0.844 223 S HN 0.188 nan 8.310 nan 0.000 0.459 224 V N 2.018 121.966 119.914 0.057 0.000 2.407 224 V HA -0.137 3.983 4.120 -0.000 0.000 0.248 224 V C 2.032 178.180 176.094 0.091 0.000 1.055 224 V CA 1.370 63.670 62.300 -0.001 0.000 1.049 224 V CB -0.714 30.992 31.823 -0.196 0.000 0.662 224 V HN 0.446 nan 8.190 nan 0.000 0.455 225 I N -0.201 120.490 120.570 0.201 0.000 2.252 225 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 225 I C 2.754 178.986 176.117 0.191 0.000 1.102 225 I CA 1.675 63.109 61.300 0.223 0.000 1.385 225 I CB -0.395 37.741 38.000 0.226 0.000 1.064 225 I HN 0.227 nan 8.210 nan 0.000 0.414 226 R N 1.498 122.131 120.500 0.222 0.000 2.073 226 R HA -0.158 4.182 4.340 -0.000 0.000 0.234 226 R C 2.331 178.781 176.300 0.250 0.000 1.134 226 R CA 1.571 57.823 56.100 0.253 0.000 0.952 226 R CB -0.224 30.298 30.300 0.370 0.000 0.850 226 R HN 0.273 nan 8.270 nan 0.000 0.433 227 I N 0.878 121.587 120.570 0.232 0.000 2.179 227 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 227 I C 2.608 178.851 176.117 0.209 0.000 1.088 227 I CA 1.345 62.781 61.300 0.226 0.000 1.357 227 I CB -0.426 37.663 38.000 0.148 0.000 1.051 227 I HN 0.329 nan 8.210 nan 0.000 0.409 228 A N 0.856 123.776 122.820 0.168 0.000 1.883 228 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 228 A C 2.316 180.049 177.584 0.248 0.000 1.186 228 A CA 1.805 53.967 52.037 0.207 0.000 0.624 228 A CB -0.486 18.586 19.000 0.120 0.000 0.822 228 A HN 0.339 nan 8.150 nan 0.000 0.444 229 K N -0.564 119.946 120.400 0.182 0.000 2.097 229 K HA -0.127 4.193 4.320 -0.000 0.000 0.205 229 K C 1.487 178.157 176.600 0.116 0.000 1.050 229 K CA 1.337 57.707 56.287 0.138 0.000 0.938 229 K CB -0.236 32.334 32.500 0.116 0.000 0.718 229 K HN 0.375 nan 8.250 nan 0.000 0.442 230 D N 1.063 121.550 120.400 0.146 0.000 2.178 230 D HA -0.120 4.520 4.640 -0.000 0.000 0.201 230 D C 1.660 178.007 176.300 0.079 0.000 0.980 230 D CA 0.958 55.027 54.000 0.115 0.000 0.842 230 D CB -0.026 40.882 40.800 0.180 0.000 0.948 230 D HN 0.153 nan 8.370 nan 0.000 0.472 231 L N -0.679 120.612 121.223 0.114 0.000 2.552 231 L HA 0.105 4.444 4.340 -0.000 0.000 0.227 231 L C 1.538 178.343 176.870 -0.109 0.000 1.146 231 L CA 0.591 55.460 54.840 0.049 0.000 0.858 231 L CB -0.171 41.994 42.059 0.177 0.000 0.969 231 L HN 0.157 nan 8.230 nan 0.000 0.451 232 G N -1.490 107.275 108.800 -0.058 0.000 2.157 232 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.239 232 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.239 232 G C -0.030 174.774 174.900 -0.159 0.000 0.982 232 G CA -0.498 44.526 45.100 -0.126 0.000 0.650 232 G HN 0.220 nan 8.290 nan 0.000 0.527 233 Y N 1.080 121.382 120.300 0.004 0.000 2.336 233 Y HA 0.477 5.027 4.550 -0.000 0.000 0.331 233 Y C 0.950 176.837 175.900 -0.022 0.000 1.211 233 Y CA -0.163 57.931 58.100 -0.009 0.000 1.346 233 Y CB 0.742 39.198 38.460 -0.006 0.000 1.271 233 Y HN 0.281 nan 8.280 nan 0.000 0.538 234 E N 2.006 122.279 120.200 0.121 0.000 2.289 234 E HA 0.427 4.777 4.350 -0.000 0.000 0.278 234 E C -1.594 174.986 176.600 -0.033 0.000 1.032 234 E CA -0.381 56.031 56.400 0.020 0.000 0.854 234 E CB 0.726 30.412 29.700 -0.023 0.000 1.046 234 E HN 0.427 nan 8.360 nan 0.000 0.409 235 V N 5.045 124.931 119.914 -0.047 0.000 2.487 235 V HA 0.260 4.380 4.120 -0.000 0.000 0.298 235 V C -0.450 175.562 176.094 -0.137 0.000 1.028 235 V CA -0.709 61.536 62.300 -0.092 0.000 0.860 235 V CB 1.627 33.458 31.823 0.013 0.000 0.991 235 V HN 0.748 nan 8.190 nan 0.000 0.427 236 Q N 2.699 122.347 119.800 -0.252 0.000 2.342 236 Q HA 0.666 5.006 4.340 -0.000 0.000 0.267 236 Q C -1.321 174.616 176.000 -0.105 0.000 1.038 236 Q CA -0.764 54.942 55.803 -0.161 0.000 0.832 236 Q CB 3.059 31.698 28.738 -0.165 0.000 1.323 236 Q HN 0.571 nan 8.270 nan 0.000 0.448 237 V N 3.422 123.296 119.914 -0.066 0.000 2.350 237 V HA 0.471 4.591 4.120 -0.000 0.000 0.276 237 V C -0.042 176.027 176.094 -0.043 0.000 1.028 237 V CA -0.443 61.799 62.300 -0.096 0.000 0.860 237 V CB 1.002 32.746 31.823 -0.131 0.000 0.990 237 V HN 0.603 nan 8.190 nan 0.000 0.453 238 V N 2.728 122.629 119.914 -0.022 0.000 3.167 238 V HA 0.723 4.842 4.120 -0.000 0.000 0.310 238 V C -0.500 175.584 176.094 -0.017 0.000 1.207 238 V CA -1.366 60.941 62.300 0.011 0.000 1.059 238 V CB 2.131 34.014 31.823 0.101 0.000 1.079 238 V HN 0.770 nan 8.190 nan 0.000 0.446 239 R N 0.872 121.347 120.500 -0.043 0.000 2.457 239 R HA 0.839 5.179 4.340 -0.000 0.000 0.284 239 R C -0.372 175.941 176.300 0.022 0.000 1.024 239 R CA 0.367 56.410 56.100 -0.096 0.000 1.025 239 R CB 1.404 31.527 30.300 -0.294 0.000 1.063 239 R HN 1.387 nan 8.270 nan 0.000 0.493 240 A N 1.875 124.738 122.820 0.071 0.000 2.498 240 A HA 0.529 4.849 4.320 -0.000 0.000 0.298 240 A C -0.762 176.857 177.584 0.057 0.000 1.075 240 A CA -0.727 51.339 52.037 0.047 0.000 0.714 240 A CB 1.710 20.707 19.000 -0.005 0.000 1.299 240 A HN 0.819 nan 8.150 nan 0.000 0.407 241 T N -1.595 112.902 114.554 -0.095 0.000 2.952 241 T HA 0.458 4.808 4.350 -0.000 0.000 0.286 241 T C 1.226 175.721 174.700 -0.343 0.000 1.024 241 T CA -0.241 61.745 62.100 -0.190 0.000 1.029 241 T CB 1.266 70.002 68.868 -0.219 0.000 1.094 241 T HN 0.878 nan 8.240 nan 0.000 0.515 242 R N 1.094 121.358 120.500 -0.394 0.000 2.105 242 R HA -0.133 4.207 4.340 -0.000 0.000 0.239 242 R C 1.047 176.737 176.300 -1.017 0.000 1.135 242 R CA 2.029 57.752 56.100 -0.629 0.000 0.967 242 R CB -0.981 28.989 30.300 -0.550 0.000 0.861 242 R HN 0.761 nan 8.270 nan 0.000 0.442 243 D N 0.544 120.530 120.400 -0.690 0.000 2.317 243 D HA -0.138 4.502 4.640 -0.000 0.000 0.211 243 D C 1.632 177.739 176.300 -0.321 0.000 0.966 243 D CA 0.684 54.399 54.000 -0.475 0.000 0.876 243 D CB -0.267 40.466 40.800 -0.111 0.000 0.927 243 D HN 0.456 nan 8.370 nan 0.000 0.519 244 Q N -0.070 119.489 119.800 -0.402 0.000 2.172 244 Q HA 0.075 4.415 4.340 -0.000 0.000 0.200 244 Q C 2.372 178.025 176.000 -0.578 0.000 0.964 244 Q CA 0.544 56.080 55.803 -0.445 0.000 0.855 244 Q CB 0.096 28.510 28.738 -0.541 0.000 0.918 244 Q HN 0.340 nan 8.270 nan 0.000 0.444 245 L N -0.740 120.117 121.223 -0.610 0.000 2.072 245 L HA -0.160 4.180 4.340 -0.000 0.000 0.205 245 L C 2.046 178.831 176.870 -0.143 0.000 1.079 245 L CA 1.208 55.776 54.840 -0.453 0.000 0.752 245 L CB -0.615 41.218 42.059 -0.375 0.000 0.906 245 L HN 0.330 nan 8.230 nan 0.000 0.436 246 Y N 0.477 120.688 120.300 -0.147 0.000 2.207 246 Y HA -0.287 4.263 4.550 -0.000 0.000 0.287 246 Y C 2.537 178.403 175.900 -0.057 0.000 1.156 246 Y CA 1.041 59.092 58.100 -0.081 0.000 1.182 246 Y CB -0.207 38.212 38.460 -0.067 0.000 0.979 246 Y HN 0.325 nan 8.280 nan 0.000 0.521 247 M N -0.506 119.141 119.600 0.079 0.000 2.431 247 M HA 0.479 4.959 4.480 -0.000 0.000 0.237 247 M C 0.514 176.845 176.300 0.051 0.000 1.130 247 M CA -0.142 55.190 55.300 0.054 0.000 1.002 247 M CB 0.107 32.725 32.600 0.031 0.000 1.524 247 M HN -0.043 nan 8.290 nan 0.000 0.482 248 A N 1.265 124.111 122.820 0.044 0.000 2.366 248 A HA 0.205 4.525 4.320 -0.000 0.000 0.249 248 A C 0.421 178.094 177.584 0.149 0.000 1.084 248 A CA -0.265 51.854 52.037 0.137 0.000 0.794 248 A CB 0.315 19.432 19.000 0.195 0.000 1.034 248 A HN 0.475 nan 8.150 nan 0.000 0.491 249 D N 0.088 120.597 120.400 0.182 0.000 2.183 249 D HA 0.036 4.676 4.640 -0.000 0.000 0.203 249 D C 0.252 176.641 176.300 0.148 0.000 0.969 249 D CA 1.363 55.450 54.000 0.145 0.000 0.842 249 D CB 0.281 41.166 40.800 0.142 0.000 0.957 249 D HN 0.719 nan 8.370 nan 0.000 0.484 250 E N -0.774 119.544 120.200 0.197 0.000 2.412 250 E HA 0.527 4.876 4.350 -0.000 0.000 0.279 250 E C -1.345 175.416 176.600 0.269 0.000 0.984 250 E CA -0.681 55.845 56.400 0.209 0.000 0.788 250 E CB 3.322 33.149 29.700 0.212 0.000 1.277 250 E HN -0.293 nan 8.360 nan 0.000 0.455 251 V N 2.081 122.146 119.914 0.252 0.000 2.888 251 V HA 0.635 4.755 4.120 -0.000 0.000 0.309 251 V C -1.310 174.950 176.094 0.277 0.000 1.114 251 V CA -0.832 61.598 62.300 0.215 0.000 0.940 251 V CB 1.382 33.283 31.823 0.131 0.000 1.021 251 V HN 0.661 nan 8.190 nan 0.000 0.426 252 F N 1.836 121.861 119.950 0.125 0.000 2.668 252 F HA 0.879 5.406 4.527 -0.000 0.000 0.309 252 F C -1.029 174.838 175.800 0.112 0.000 1.117 252 F CA -1.258 56.778 58.000 0.059 0.000 0.951 252 F CB 1.794 40.769 39.000 -0.041 0.000 1.323 252 F HN 0.341 nan 8.300 nan 0.000 0.451 253 M N 1.823 121.584 119.600 0.268 0.000 2.644 253 M HA 0.691 5.171 4.480 -0.000 0.000 0.316 253 M C -0.784 175.644 176.300 0.214 0.000 1.200 253 M CA -0.725 54.692 55.300 0.196 0.000 0.944 253 M CB 2.701 35.380 32.600 0.132 0.000 1.691 253 M HN 0.853 nan 8.290 nan 0.000 0.471 254 T N -1.129 113.540 114.554 0.192 0.000 2.900 254 T HA 0.946 5.296 4.350 -0.000 0.000 0.295 254 T C -0.461 174.298 174.700 0.098 0.000 1.044 254 T CA -0.756 61.406 62.100 0.104 0.000 0.995 254 T CB 2.175 71.121 68.868 0.131 0.000 1.072 254 T HN 1.034 nan 8.240 nan 0.000 0.473 255 G N 0.281 109.108 108.800 0.045 0.000 2.387 255 G HA2 0.442 4.402 3.960 -0.000 0.000 0.294 255 G HA3 0.442 4.402 3.960 -0.000 0.000 0.294 255 G C 0.257 175.219 174.900 0.104 0.000 1.509 255 G CA -0.169 44.996 45.100 0.107 0.000 0.806 255 G HN 0.629 nan 8.290 nan 0.000 0.546 256 T N 0.905 115.566 114.554 0.179 0.000 2.720 256 T HA -0.057 4.293 4.350 -0.000 0.000 0.268 256 T C 2.686 177.457 174.700 0.119 0.000 1.037 256 T CA 2.826 65.037 62.100 0.186 0.000 1.144 256 T CB -0.235 68.768 68.868 0.225 0.000 0.864 256 T HN 0.936 nan 8.240 nan 0.000 0.444 257 A N 0.944 123.879 122.820 0.191 0.000 1.903 257 A HA 0.452 4.771 4.320 -0.000 0.000 0.213 257 A C 2.477 180.199 177.584 0.230 0.000 1.185 257 A CA 1.259 53.434 52.037 0.231 0.000 0.628 257 A CB -0.754 18.472 19.000 0.377 0.000 0.830 257 A HN 0.472 nan 8.150 nan 0.000 0.446 258 A N -1.103 121.821 122.820 0.174 0.000 2.167 258 A HA 0.223 4.543 4.320 -0.000 0.000 0.214 258 A C 0.911 178.534 177.584 0.065 0.000 1.151 258 A CA 1.173 53.292 52.037 0.136 0.000 0.735 258 A CB -0.356 18.714 19.000 0.116 0.000 0.802 258 A HN 0.612 nan 8.150 nan 0.000 0.467 259 E N -2.264 117.941 120.200 0.008 0.000 3.289 259 E HA -0.252 4.098 4.350 -0.000 0.000 0.386 259 E C -0.477 175.966 176.600 -0.263 0.000 1.526 259 E CA 1.537 57.853 56.400 -0.140 0.000 1.519 259 E CB -1.135 28.585 29.700 0.033 0.000 1.657 259 E HN 0.263 nan 8.360 nan 0.000 0.479 260 V N 1.406 121.180 119.914 -0.232 0.000 2.326 260 V HA 0.334 4.454 4.120 -0.000 0.000 0.281 260 V C -0.400 175.649 176.094 -0.075 0.000 1.015 260 V CA -0.218 61.961 62.300 -0.201 0.000 0.823 260 V CB 1.550 33.172 31.823 -0.334 0.000 1.009 260 V HN 0.421 nan 8.190 nan 0.000 0.436 261 T N 7.991 122.558 114.554 0.023 0.000 2.772 261 T HA 0.412 4.762 4.350 -0.000 0.000 0.288 261 T C -2.637 172.124 174.700 0.103 0.000 0.994 261 T CA -1.270 60.863 62.100 0.055 0.000 0.951 261 T CB 1.793 70.707 68.868 0.075 0.000 0.933 261 T HN 0.334 nan 8.240 nan 0.000 0.447 262 P HA 0.245 nan 4.420 nan 0.000 0.271 262 P C -0.907 176.455 177.300 0.104 0.000 1.218 262 P CA -0.419 62.743 63.100 0.103 0.000 0.780 262 P CB 0.618 32.342 31.700 0.040 0.000 0.901 263 V N 2.587 122.577 119.914 0.127 0.000 2.378 263 V HA 0.146 4.266 4.120 -0.000 0.000 0.288 263 V C 1.088 177.225 176.094 0.072 0.000 1.016 263 V CA 0.132 62.483 62.300 0.084 0.000 0.840 263 V CB 1.152 33.025 31.823 0.084 0.000 0.994 263 V HN 0.665 nan 8.190 nan 0.000 0.431 264 S N 3.611 119.337 115.700 0.043 0.000 2.517 264 S HA 0.382 4.852 4.470 -0.000 0.000 0.214 264 S C 0.249 174.863 174.600 0.023 0.000 0.991 264 S CA -0.086 58.138 58.200 0.039 0.000 0.906 264 S CB 0.288 63.507 63.200 0.032 0.000 0.789 264 S HN 0.645 nan 8.310 nan 0.000 0.513 265 M N 0.919 120.517 119.600 -0.003 0.000 2.414 265 M HA 0.546 5.025 4.480 -0.000 0.000 0.287 265 M C -2.545 173.713 176.300 -0.071 0.000 1.181 265 M CA -0.627 54.651 55.300 -0.036 0.000 0.933 265 M CB 1.865 34.424 32.600 -0.069 0.000 1.732 265 M HN 0.129 nan 8.290 nan 0.000 0.486 266 I N 4.065 124.606 120.570 -0.049 0.000 2.534 266 I HA 0.324 4.494 4.170 -0.000 0.000 0.288 266 I C -0.767 175.310 176.117 -0.067 0.000 1.077 266 I CA -0.530 60.756 61.300 -0.024 0.000 1.051 266 I CB 2.054 40.137 38.000 0.139 0.000 1.234 266 I HN 0.784 nan 8.210 nan 0.000 0.425 267 D N 5.296 125.590 120.400 -0.176 0.000 2.708 267 D HA -0.238 4.402 4.640 -0.000 0.000 0.236 267 D C -0.116 176.135 176.300 -0.082 0.000 1.146 267 D CA 1.185 55.094 54.000 -0.151 0.000 0.662 267 D CB -0.865 39.955 40.800 0.034 0.000 1.059 267 D HN 0.814 nan 8.370 nan 0.000 0.428 268 W N -1.945 119.327 121.300 -0.046 0.000 3.520 268 W HA -0.317 4.343 4.660 -0.000 0.000 0.305 268 W C 0.719 177.183 176.519 -0.093 0.000 1.150 268 W CA 0.358 57.669 57.345 -0.057 0.000 0.656 268 W CB -2.054 27.374 29.460 -0.053 0.000 2.198 268 W HN 0.146 nan 8.180 nan 0.000 1.417 269 R N 1.449 121.931 120.500 -0.029 0.000 2.310 269 R HA 0.304 4.644 4.340 -0.000 0.000 0.324 269 R C -1.996 174.279 176.300 -0.041 0.000 0.955 269 R CA -1.868 54.174 56.100 -0.096 0.000 0.830 269 R CB 0.900 30.990 30.300 -0.351 0.000 1.154 269 R HN -0.258 nan 8.270 nan 0.000 0.458 270 P HA 0.016 nan 4.420 nan 0.000 0.268 270 P C -0.399 176.921 177.300 0.033 0.000 1.205 270 P CA -0.005 63.108 63.100 0.021 0.000 0.771 270 P CB 0.848 32.566 31.700 0.030 0.000 0.858 271 I N 2.469 123.068 120.570 0.048 0.000 2.315 271 I HA 0.256 4.426 4.170 -0.000 0.000 0.291 271 I C 1.699 177.857 176.117 0.069 0.000 1.006 271 I CA 0.520 61.862 61.300 0.070 0.000 1.265 271 I CB -0.319 37.731 38.000 0.083 0.000 1.387 271 I HN 0.765 nan 8.210 nan 0.000 0.475 272 G N 7.773 116.615 108.800 0.071 0.000 2.622 272 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.307 272 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.307 272 G C 0.904 175.837 174.900 0.054 0.000 1.226 272 G CA 0.679 45.820 45.100 0.068 0.000 0.997 272 G HN 0.774 nan 8.290 nan 0.000 0.551 273 K N 1.874 122.306 120.400 0.052 0.000 2.555 273 K HA 0.375 4.695 4.320 -0.000 0.000 0.193 273 K C 1.736 178.361 176.600 0.040 0.000 1.032 273 K CA 1.305 57.617 56.287 0.043 0.000 1.004 273 K CB -0.104 32.421 32.500 0.041 0.000 0.804 273 K HN 2.381 nan 8.250 nan 0.000 0.496 274 G N 1.083 109.909 108.800 0.043 0.000 2.157 274 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.248 274 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.248 274 G C 0.195 175.118 174.900 0.038 0.000 0.979 274 G CA 0.597 45.721 45.100 0.040 0.000 0.650 274 G HN 0.694 nan 8.290 nan 0.000 0.529 275 T N -3.025 111.553 114.554 0.039 0.000 2.804 275 T HA 0.862 5.212 4.350 -0.000 0.000 0.290 275 T C 0.338 175.061 174.700 0.039 0.000 1.099 275 T CA 0.365 62.486 62.100 0.035 0.000 1.011 275 T CB 1.524 70.411 68.868 0.031 0.000 1.291 275 T HN 1.824 nan 8.240 nan 0.000 0.523 276 A N 0.132 122.972 122.820 0.032 0.000 2.511 276 A HA 0.590 4.910 4.320 -0.000 0.000 0.242 276 A C 0.895 178.493 177.584 0.024 0.000 1.069 276 A CA 0.177 52.230 52.037 0.028 0.000 0.763 276 A CB -0.800 18.208 19.000 0.013 0.000 1.001 276 A HN 1.313 nan 8.150 nan 0.000 0.498 277 G N 1.318 110.134 108.800 0.026 0.000 2.502 277 G HA2 0.532 4.492 3.960 -0.000 0.000 0.305 277 G HA3 0.532 4.492 3.960 -0.000 0.000 0.305 277 G C -1.201 173.694 174.900 -0.008 0.000 1.190 277 G CA -0.933 44.181 45.100 0.024 0.000 0.933 277 G HN 0.485 nan 8.290 nan 0.000 0.503 278 P HA -0.105 nan 4.420 nan 0.000 0.217 278 P C 1.921 179.193 177.300 -0.048 0.000 1.150 278 P CA 0.798 63.894 63.100 -0.006 0.000 0.832 278 P CB 0.175 31.893 31.700 0.029 0.000 0.787 279 V N 1.186 121.051 119.914 -0.082 0.000 2.307 279 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 279 V C 2.958 178.834 176.094 -0.365 0.000 1.045 279 V CA 2.306 64.470 62.300 -0.227 0.000 1.024 279 V CB -1.793 29.857 31.823 -0.289 0.000 0.651 279 V HN 0.101 nan 8.190 nan 0.000 0.449 280 A N -0.250 122.339 122.820 -0.385 0.000 1.933 280 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 280 A C 2.223 179.561 177.584 -0.410 0.000 1.175 280 A CA 1.773 53.417 52.037 -0.655 0.000 0.628 280 A CB -0.557 18.180 19.000 -0.440 0.000 0.814 280 A HN 0.512 nan 8.150 nan 0.000 0.444 281 L N -1.304 119.788 121.223 -0.218 0.000 2.093 281 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 281 L C 2.881 179.681 176.870 -0.116 0.000 1.085 281 L CA 1.263 56.024 54.840 -0.133 0.000 0.755 281 L CB -0.459 41.560 42.059 -0.066 0.000 0.904 281 L HN 0.365 nan 8.230 nan 0.000 0.435 282 R N -0.015 120.418 120.500 -0.112 0.000 2.075 282 R HA -0.100 4.240 4.340 -0.000 0.000 0.232 282 R C 2.303 178.556 176.300 -0.079 0.000 1.126 282 R CA 1.119 57.188 56.100 -0.052 0.000 0.963 282 R CB -0.330 29.982 30.300 0.020 0.000 0.858 282 R HN 0.324 nan 8.270 nan 0.000 0.435 283 L N 0.112 121.216 121.223 -0.198 0.000 2.046 283 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 283 L C 2.804 179.581 176.870 -0.155 0.000 1.077 283 L CA 1.295 56.005 54.840 -0.217 0.000 0.747 283 L CB -0.478 41.302 42.059 -0.464 0.000 0.896 283 L HN 0.204 nan 8.230 nan 0.000 0.432 284 R N 0.479 120.861 120.500 -0.196 0.000 2.081 284 R HA -0.233 4.106 4.340 -0.000 0.000 0.235 284 R C 2.246 178.538 176.300 -0.013 0.000 1.131 284 R CA 1.826 57.863 56.100 -0.105 0.000 0.960 284 R CB -0.050 30.179 30.300 -0.119 0.000 0.856 284 R HN 0.227 nan 8.270 nan 0.000 0.436 285 E N 0.159 120.342 120.200 -0.028 0.000 2.051 285 E HA -0.136 4.214 4.350 -0.000 0.000 0.192 285 E C 1.834 178.440 176.600 0.010 0.000 0.991 285 E CA 1.841 58.237 56.400 -0.006 0.000 0.799 285 E CB -0.236 29.461 29.700 -0.005 0.000 0.748 285 E HN 0.195 nan 8.360 nan 0.000 0.449 286 V N 0.374 120.309 119.914 0.035 0.000 2.427 286 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 286 V C 2.172 178.304 176.094 0.064 0.000 1.051 286 V CA 2.004 64.351 62.300 0.078 0.000 1.048 286 V CB -0.794 31.107 31.823 0.131 0.000 0.666 286 V HN 0.402 nan 8.190 nan 0.000 0.456 287 Y N 0.488 120.735 120.300 -0.089 0.000 2.181 287 Y HA -0.217 4.333 4.550 -0.000 0.000 0.288 287 Y C 2.231 177.976 175.900 -0.257 0.000 1.146 287 Y CA 1.708 59.704 58.100 -0.174 0.000 1.164 287 Y CB -0.113 38.215 38.460 -0.219 0.000 0.982 287 Y HN 0.137 nan 8.280 nan 0.000 0.515 288 L N -0.117 120.999 121.223 -0.178 0.000 2.141 288 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 288 L C 2.256 178.956 176.870 -0.284 0.000 1.094 288 L CA 1.436 56.094 54.840 -0.303 0.000 0.763 288 L CB -0.485 41.505 42.059 -0.115 0.000 0.908 288 L HN 0.302 nan 8.230 nan 0.000 0.437 289 E N 0.209 120.321 120.200 -0.146 0.000 2.106 289 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 289 E C 2.327 178.876 176.600 -0.085 0.000 0.984 289 E CA 1.051 57.404 56.400 -0.079 0.000 0.806 289 E CB -0.085 29.612 29.700 -0.005 0.000 0.750 289 E HN 0.486 nan 8.360 nan 0.000 0.458 290 A N 1.193 123.955 122.820 -0.097 0.000 1.858 290 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 290 A C 2.525 180.018 177.584 -0.153 0.000 1.190 290 A CA 1.720 53.758 52.037 0.002 0.000 0.617 290 A CB -0.935 18.111 19.000 0.078 0.000 0.827 290 A HN 0.246 nan 8.150 nan 0.000 0.443 291 V N -1.779 117.775 119.914 -0.601 0.000 2.913 291 V HA -0.085 4.035 4.120 -0.000 0.000 0.260 291 V C 1.846 177.666 176.094 -0.457 0.000 1.098 291 V CA 2.151 63.989 62.300 -0.770 0.000 1.121 291 V CB -1.675 29.119 31.823 -1.715 0.000 0.714 291 V HN 0.673 nan 8.190 nan 0.000 0.487 292 T N -2.721 111.639 114.554 -0.323 0.000 3.206 292 T HA 0.477 4.827 4.350 -0.000 0.000 0.253 292 T C 1.455 176.157 174.700 0.002 0.000 1.042 292 T CA 0.431 62.460 62.100 -0.119 0.000 0.931 292 T CB -0.135 68.677 68.868 -0.094 0.000 1.029 292 T HN 1.579 nan 8.240 nan 0.000 0.564 293 G N 2.202 111.016 108.800 0.024 0.000 2.221 293 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.265 293 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.265 293 G C 0.609 175.562 174.900 0.089 0.000 1.041 293 G CA 0.143 45.317 45.100 0.124 0.000 0.807 293 G HN 0.591 nan 8.290 nan 0.000 0.502 294 R N -0.785 119.740 120.500 0.043 0.000 2.468 294 R HA 0.184 4.523 4.340 -0.000 0.000 0.280 294 R C 0.351 176.664 176.300 0.022 0.000 0.963 294 R CA -0.292 55.825 56.100 0.027 0.000 1.083 294 R CB 0.452 30.758 30.300 0.009 0.000 1.200 294 R HN 0.102 nan 8.270 nan 0.000 0.541 295 R N 0.301 120.824 120.500 0.040 0.000 2.472 295 R HA 0.222 4.562 4.340 -0.000 0.000 0.294 295 R C -2.367 173.902 176.300 -0.051 0.000 1.243 295 R CA -2.132 53.968 56.100 -0.000 0.000 1.023 295 R CB 1.429 31.796 30.300 0.112 0.000 1.157 295 R HN -0.105 nan 8.270 nan 0.000 0.530 296 P HA -0.226 nan 4.420 nan 0.000 0.216 296 P C 1.175 178.375 177.300 -0.166 0.000 1.150 296 P CA 1.209 64.256 63.100 -0.088 0.000 0.843 296 P CB 0.388 32.037 31.700 -0.085 0.000 0.787 297 E N -0.883 119.127 120.200 -0.317 0.000 2.409 297 E HA -0.187 4.163 4.350 -0.000 0.000 0.198 297 E C 0.744 177.011 176.600 -0.556 0.000 1.024 297 E CA 1.276 57.396 56.400 -0.467 0.000 0.861 297 E CB -0.873 28.442 29.700 -0.641 0.000 0.788 297 E HN 0.451 nan 8.360 nan 0.000 0.521 298 Y N 0.242 120.388 120.300 -0.258 0.000 2.557 298 Y HA 0.225 4.775 4.550 -0.000 0.000 0.247 298 Y C 1.713 177.487 175.900 -0.209 0.000 1.164 298 Y CA -0.608 57.225 58.100 -0.445 0.000 1.218 298 Y CB 0.723 38.962 38.460 -0.369 0.000 1.210 298 Y HN -0.091 nan 8.280 nan 0.000 0.529 299 E N 0.565 120.772 120.200 0.013 0.000 2.209 299 E HA -0.155 4.195 4.350 -0.000 0.000 0.196 299 E C 2.221 178.868 176.600 0.078 0.000 0.993 299 E CA 1.004 57.458 56.400 0.090 0.000 0.819 299 E CB -0.242 29.512 29.700 0.090 0.000 0.745 299 E HN 0.647 nan 8.360 nan 0.000 0.477 300 G N -0.164 108.629 108.800 -0.012 0.000 2.498 300 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.219 300 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.219 300 G C 0.932 175.893 174.900 0.101 0.000 1.119 300 G CA 0.164 45.267 45.100 0.005 0.000 0.766 300 G HN 0.236 nan 8.290 nan 0.000 0.552 301 W N -0.181 121.104 121.300 -0.026 0.000 2.905 301 W HA 0.416 5.075 4.660 -0.000 0.000 0.251 301 W C 0.111 176.498 176.519 -0.219 0.000 1.305 301 W CA -0.516 56.713 57.345 -0.195 0.000 1.465 301 W CB -0.362 28.942 29.460 -0.259 0.000 1.122 301 W HN -0.034 nan 8.180 nan 0.000 0.659 302 L N 0.034 121.320 121.223 0.105 0.000 2.334 302 L HA 0.364 4.704 4.340 -0.000 0.000 0.275 302 L C 0.430 177.219 176.870 -0.135 0.000 1.036 302 L CA 0.144 54.946 54.840 -0.064 0.000 0.807 302 L CB 1.530 43.454 42.059 -0.225 0.000 1.231 302 L HN -0.431 nan 8.230 nan 0.000 0.438 303 T N 2.074 116.515 114.554 -0.189 0.000 2.864 303 T HA 0.406 4.756 4.350 -0.000 0.000 0.310 303 T C -0.736 173.872 174.700 -0.152 0.000 1.040 303 T CA -0.333 61.707 62.100 -0.100 0.000 0.977 303 T CB -0.063 68.776 68.868 -0.049 0.000 0.976 303 T HN 0.109 nan 8.240 nan 0.000 0.459 304 Y N 1.862 122.184 120.300 0.037 0.000 2.402 304 Y HA 0.125 4.675 4.550 -0.000 0.000 0.333 304 Y C 1.656 177.568 175.900 0.020 0.000 1.076 304 Y CA -0.483 57.636 58.100 0.033 0.000 1.299 304 Y CB 0.557 39.035 38.460 0.029 0.000 1.197 304 Y HN 0.388 nan 8.280 nan 0.000 0.517 305 V N 2.242 122.239 119.914 0.138 0.000 2.667 305 V HA -0.180 3.940 4.120 -0.000 0.000 0.252 305 V C 0.695 176.837 176.094 0.080 0.000 1.065 305 V CA 1.153 63.501 62.300 0.079 0.000 1.083 305 V CB -0.643 31.211 31.823 0.050 0.000 0.692 305 V HN 0.708 nan 8.190 nan 0.000 0.468 306 N N 0.000 118.766 118.700 0.110 0.000 1.763 306 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 306 N CA 0.000 53.090 53.050 0.067 0.000 0.885 306 N CB 0.000 38.520 38.487 0.056 0.000 1.341 306 N HN 0.000 nan 8.380 nan 0.000 0.667