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 2ej2_1_A DATA FIRST_RESID 2 DATA SEQUENCE QIKAGLIWMN GAFVPQEEAK TSVLSHALHY GTSVFEGIRA YETAKGPAIF DATA SEQUENCE RLKEHVKRFY NSAKVLRMEI PFAPEELEEA IKEVVRRNGY RSCYIRPLAW DATA SEQUENCE MGAKALGVNP LPNNPAEVMV AAWEWXXXXX XXXXXXGARL 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 0.000 175.909 176.000 -0.152 0.000 1.003 2 Q CA 0.000 55.735 55.803 -0.114 0.000 1.022 2 Q CB 0.000 28.692 28.738 -0.076 0.000 1.108 3 I N 2.056 122.516 120.570 -0.182 0.000 2.353 3 I HA 0.381 4.549 4.170 -0.002 0.000 0.293 3 I C 0.285 176.335 176.117 -0.112 0.000 0.992 3 I CA -0.223 60.922 61.300 -0.257 0.000 1.268 3 I CB 1.361 39.112 38.000 -0.415 0.000 1.387 3 I HN 0.743 nan 8.210 nan 0.000 0.478 4 K N 5.106 125.470 120.400 -0.060 0.000 2.187 4 K HA 0.572 4.891 4.320 -0.002 0.000 0.242 4 K C 0.620 177.356 176.600 0.226 0.000 1.179 4 K CA 0.268 56.599 56.287 0.074 0.000 1.097 4 K CB 0.252 32.802 32.500 0.083 0.000 1.634 4 K HN 0.857 nan 8.250 nan 0.000 0.335 5 A N 0.506 123.466 122.820 0.233 0.000 1.943 5 A HA 0.524 4.843 4.320 -0.002 0.000 0.213 5 A C 1.858 179.653 177.584 0.351 0.000 1.181 5 A CA 1.608 53.879 52.037 0.389 0.000 0.653 5 A CB -0.460 18.749 19.000 0.347 0.000 0.833 5 A HN 1.948 nan 8.150 nan 0.000 0.451 6 G N -0.662 108.267 108.800 0.215 0.000 2.527 6 G HA2 -0.230 3.728 3.960 -0.002 0.000 0.262 6 G HA3 -0.230 3.728 3.960 -0.002 0.000 0.262 6 G C -0.018 174.973 174.900 0.152 0.000 1.153 6 G CA -0.014 45.175 45.100 0.148 0.000 0.954 6 G HN 0.723 nan 8.290 nan 0.000 0.552 7 L N 1.246 122.556 121.223 0.146 0.000 2.360 7 L HA 0.536 4.874 4.340 -0.002 0.000 0.276 7 L C 0.397 177.480 176.870 0.355 0.000 1.121 7 L CA -0.137 54.839 54.840 0.226 0.000 0.845 7 L CB 0.652 42.826 42.059 0.190 0.000 1.143 7 L HN 0.370 nan 8.230 nan 0.000 0.452 8 I N 2.152 122.902 120.570 0.300 0.000 2.433 8 I HA 0.168 4.337 4.170 -0.002 0.000 0.292 8 I C -0.649 175.504 176.117 0.060 0.000 1.001 8 I CA -0.548 60.888 61.300 0.227 0.000 1.119 8 I CB 1.844 39.941 38.000 0.161 0.000 1.289 8 I HN 0.610 nan 8.210 nan 0.000 0.438 9 W N 8.603 129.665 121.300 -0.398 0.000 2.419 9 W HA 0.298 4.954 4.660 -0.007 0.000 0.312 9 W C -0.764 175.557 176.519 -0.331 0.000 1.323 9 W CA -0.288 56.577 57.345 -0.801 0.000 1.293 9 W CB 0.579 29.428 29.460 -1.017 0.000 1.324 9 W HN 0.257 nan 8.180 nan 0.000 0.512 10 M N 7.474 126.692 119.600 -0.637 0.000 2.043 10 M HA 0.100 4.578 4.480 -0.002 0.000 0.322 10 M C 0.101 175.927 176.300 -0.790 0.000 0.962 10 M CA -0.348 54.673 55.300 -0.465 0.000 0.927 10 M CB 1.000 33.493 32.600 -0.178 0.000 1.466 10 M HN 0.519 nan 8.290 nan 0.000 0.412 11 N N 2.844 121.009 118.700 -0.891 0.000 2.699 11 N HA -0.213 4.525 4.740 -0.002 0.000 0.256 11 N C 0.856 175.954 175.510 -0.687 0.000 0.993 11 N CA 1.367 54.038 53.050 -0.632 0.000 0.759 11 N CB -0.675 37.725 38.487 -0.145 0.000 0.906 11 N HN 1.190 nan 8.380 nan 0.000 0.541 12 G N -2.372 105.400 108.800 -1.713 0.000 2.195 12 G HA2 0.036 3.994 3.960 -0.002 0.000 0.224 12 G HA3 0.036 3.994 3.960 -0.002 0.000 0.224 12 G C -0.041 174.565 174.900 -0.489 0.000 0.990 12 G CA 0.339 45.085 45.100 -0.590 0.000 0.639 12 G HN 1.272 nan 8.290 nan 0.000 0.514 13 A N -0.696 121.616 122.820 -0.847 0.000 2.574 13 A HA 0.772 5.091 4.320 -0.002 0.000 0.297 13 A C -0.780 176.579 177.584 -0.375 0.000 1.062 13 A CA -0.703 51.129 52.037 -0.342 0.000 0.686 13 A CB 0.893 19.822 19.000 -0.119 0.000 1.285 13 A HN 0.748 nan 8.150 nan 0.000 0.403 14 F N 1.030 120.968 119.950 -0.019 0.000 2.443 14 F HA 0.483 5.008 4.527 -0.003 0.000 0.353 14 F C 0.820 176.626 175.800 0.010 0.000 1.101 14 F CA 0.454 58.481 58.000 0.044 0.000 1.226 14 F CB 1.659 40.722 39.000 0.105 0.000 1.140 14 F HN 0.569 nan 8.300 nan 0.000 0.557 15 V N 1.021 121.034 119.914 0.166 0.000 3.114 15 V HA 0.665 4.784 4.120 -0.002 0.000 0.308 15 V C -2.983 173.182 176.094 0.117 0.000 1.168 15 V CA -3.100 59.263 62.300 0.104 0.000 1.015 15 V CB 1.897 33.743 31.823 0.039 0.000 1.050 15 V HN 0.401 nan 8.190 nan 0.000 0.433 16 P HA 0.131 nan 4.420 nan 0.000 0.268 16 P C 0.639 177.984 177.300 0.076 0.000 1.208 16 P CA 0.231 63.378 63.100 0.078 0.000 0.777 16 P CB 0.535 32.267 31.700 0.053 0.000 0.875 17 Q N 2.405 122.253 119.800 0.080 0.000 2.045 17 Q HA -0.308 4.030 4.340 -0.002 0.000 0.206 17 Q C 2.187 178.214 176.000 0.045 0.000 0.991 17 Q CA 2.635 58.482 55.803 0.074 0.000 0.851 17 Q CB -0.571 28.211 28.738 0.074 0.000 0.911 17 Q HN 0.569 nan 8.270 nan 0.000 0.418 18 E N 0.762 120.982 120.200 0.034 0.000 2.333 18 E HA -0.236 4.112 4.350 -0.002 0.000 0.200 18 E C 1.287 177.899 176.600 0.021 0.000 1.010 18 E CA 1.647 58.059 56.400 0.020 0.000 0.841 18 E CB -0.540 29.169 29.700 0.016 0.000 0.757 18 E HN 0.717 nan 8.360 nan 0.000 0.508 19 E N -1.069 119.149 120.200 0.030 0.000 2.472 19 E HA 0.341 4.689 4.350 -0.002 0.000 0.196 19 E C 0.853 177.472 176.600 0.033 0.000 1.033 19 E CA 0.248 56.666 56.400 0.028 0.000 0.886 19 E CB 0.790 30.508 29.700 0.030 0.000 0.944 19 E HN 0.444 nan 8.360 nan 0.000 0.492 20 A N 2.456 125.299 122.820 0.037 0.000 2.915 20 A HA 0.146 4.464 4.320 -0.002 0.000 0.292 20 A C -0.170 177.429 177.584 0.024 0.000 1.632 20 A CA 0.123 52.186 52.037 0.043 0.000 1.337 20 A CB -0.326 18.706 19.000 0.054 0.000 1.111 20 A HN -0.024 nan 8.150 nan 0.000 0.569 21 K N 0.074 120.497 120.400 0.038 0.000 2.444 21 K HA 0.754 5.073 4.320 -0.002 0.000 0.252 21 K C -0.744 175.900 176.600 0.074 0.000 0.993 21 K CA -0.705 55.594 56.287 0.021 0.000 0.847 21 K CB 2.292 34.800 32.500 0.013 0.000 1.340 21 K HN 0.341 nan 8.250 nan 0.000 0.446 22 T N -0.566 114.021 114.554 0.056 0.000 2.883 22 T HA 0.227 4.576 4.350 -0.002 0.000 0.301 22 T C -0.951 173.809 174.700 0.101 0.000 1.158 22 T CA -0.495 61.695 62.100 0.149 0.000 1.007 22 T CB 1.654 70.673 68.868 0.253 0.000 1.186 22 T HN 0.537 nan 8.240 nan 0.000 0.499 23 S N 1.145 116.926 115.700 0.134 0.000 2.558 23 S HA 0.064 4.532 4.470 -0.002 0.000 0.288 23 S C 1.707 176.365 174.600 0.095 0.000 1.318 23 S CA 0.049 58.308 58.200 0.098 0.000 1.056 23 S CB 0.239 63.499 63.200 0.100 0.000 0.853 23 S HN 0.914 nan 8.310 nan 0.000 0.505 24 V N 4.296 124.254 119.914 0.073 0.000 3.444 24 V HA 0.147 4.265 4.120 -0.002 0.000 0.271 24 V C 1.157 177.367 176.094 0.194 0.000 1.188 24 V CA 1.124 63.473 62.300 0.082 0.000 1.168 24 V CB -0.990 30.858 31.823 0.041 0.000 0.810 24 V HN 0.801 nan 8.190 nan 0.000 0.500 25 L N 0.310 121.617 121.223 0.140 0.000 2.667 25 L HA 0.309 4.647 4.340 -0.002 0.000 0.232 25 L C 0.994 177.869 176.870 0.009 0.000 1.138 25 L CA -0.124 54.753 54.840 0.061 0.000 0.921 25 L CB 0.051 42.117 42.059 0.012 0.000 1.180 25 L HN 0.204 nan 8.230 nan 0.000 0.487 26 S N -0.351 115.434 115.700 0.141 0.000 2.537 26 S HA -0.047 4.422 4.470 -0.002 0.000 0.286 26 S C 1.304 176.026 174.600 0.203 0.000 1.299 26 S CA -0.226 58.104 58.200 0.216 0.000 1.067 26 S CB 0.476 63.877 63.200 0.336 0.000 0.864 26 S HN 0.293 nan 8.310 nan 0.000 0.494 27 H N 3.415 122.553 119.070 0.113 0.000 2.321 27 H HA -0.233 4.322 4.556 -0.001 0.000 0.295 27 H C 2.142 177.581 175.328 0.185 0.000 1.102 27 H CA 2.147 58.276 56.048 0.134 0.000 1.266 27 H CB -0.254 29.626 29.762 0.196 0.000 1.363 27 H HN 0.751 nan 8.280 nan 0.000 0.492 28 A N 0.684 123.745 122.820 0.402 0.000 2.019 28 A HA -0.132 4.187 4.320 -0.002 0.000 0.219 28 A C 2.512 180.191 177.584 0.160 0.000 1.164 28 A CA 1.281 53.510 52.037 0.320 0.000 0.644 28 A CB -0.671 18.561 19.000 0.387 0.000 0.805 28 A HN 0.401 nan 8.150 nan 0.000 0.449 29 L N -1.164 120.137 121.223 0.129 0.000 2.291 29 L HA -0.063 4.275 4.340 -0.002 0.000 0.214 29 L C 2.060 178.870 176.870 -0.099 0.000 1.120 29 L CA 1.698 56.548 54.840 0.016 0.000 0.799 29 L CB -0.454 41.623 42.059 0.030 0.000 0.925 29 L HN 0.552 nan 8.230 nan 0.000 0.446 30 H N -2.972 115.918 119.070 -0.301 0.000 2.557 30 H HA 0.110 4.665 4.556 -0.002 0.000 0.281 30 H C 0.519 175.499 175.328 -0.581 0.000 0.990 30 H CA 0.969 56.667 56.048 -0.583 0.000 1.278 30 H CB 0.425 29.542 29.762 -1.076 0.000 1.451 30 H HN 0.357 nan 8.280 nan 0.000 0.516 31 Y N -0.356 119.964 120.300 0.033 0.000 2.682 31 Y HA 0.285 4.833 4.550 -0.003 0.000 0.251 31 Y C 1.448 177.395 175.900 0.078 0.000 1.172 31 Y CA -0.020 58.082 58.100 0.003 0.000 1.186 31 Y CB 1.288 39.666 38.460 -0.138 0.000 1.216 31 Y HN 0.205 nan 8.280 nan 0.000 0.540 32 G N 1.381 110.300 108.800 0.199 0.000 2.187 32 G HA2 -0.360 3.599 3.960 -0.002 0.000 0.261 32 G HA3 -0.360 3.599 3.960 -0.002 0.000 0.261 32 G C 0.411 175.448 174.900 0.228 0.000 1.000 32 G CA 0.824 46.038 45.100 0.189 0.000 0.718 32 G HN 0.421 nan 8.290 nan 0.000 0.519 33 T N -0.693 114.038 114.554 0.296 0.000 4.313 33 T HA 0.585 4.934 4.350 -0.002 0.000 0.272 33 T C 0.468 175.327 174.700 0.266 0.000 1.298 33 T CA 0.476 62.749 62.100 0.289 0.000 1.124 33 T CB 0.283 69.399 68.868 0.413 0.000 1.352 33 T HN 1.501 nan 8.240 nan 0.000 1.013 34 S N 0.409 116.257 115.700 0.246 0.000 2.618 34 S HA 0.841 5.310 4.470 -0.002 0.000 0.277 34 S C -0.618 174.123 174.600 0.234 0.000 1.138 34 S CA -0.705 57.662 58.200 0.278 0.000 0.844 34 S CB 1.878 65.283 63.200 0.341 0.000 1.127 34 S HN 1.085 nan 8.310 nan 0.000 0.474 35 V N -0.540 119.504 119.914 0.215 0.000 2.925 35 V HA 1.001 5.120 4.120 -0.002 0.000 0.311 35 V C -0.899 175.408 176.094 0.354 0.000 1.104 35 V CA -1.032 61.340 62.300 0.121 0.000 0.954 35 V CB 0.789 32.516 31.823 -0.160 0.000 1.022 35 V HN 1.428 nan 8.190 nan 0.000 0.427 36 F N 0.098 120.205 119.950 0.261 0.000 2.715 36 F HA 0.986 5.511 4.527 -0.003 0.000 0.318 36 F C -0.805 175.189 175.800 0.322 0.000 1.141 36 F CA -0.733 57.489 58.000 0.370 0.000 0.950 36 F CB 1.580 40.693 39.000 0.188 0.000 1.374 36 F HN 0.576 nan 8.300 nan 0.000 0.477 37 E N -0.276 120.167 120.200 0.406 0.000 2.433 37 E HA 0.614 4.963 4.350 -0.002 0.000 0.273 37 E C -1.320 175.376 176.600 0.160 0.000 0.950 37 E CA -1.002 55.510 56.400 0.186 0.000 0.796 37 E CB 2.142 31.879 29.700 0.061 0.000 1.330 37 E HN 1.033 nan 8.360 nan 0.000 0.455 38 G N 1.227 110.034 108.800 0.013 0.000 2.702 38 G HA2 0.653 4.611 3.960 -0.002 0.000 0.295 38 G HA3 0.653 4.611 3.960 -0.002 0.000 0.295 38 G C -0.698 173.845 174.900 -0.595 0.000 1.446 38 G CA -0.325 44.634 45.100 -0.236 0.000 0.983 38 G HN 0.247 nan 8.290 nan 0.000 0.520 39 I N 1.509 121.544 120.570 -0.892 0.000 2.647 39 I HA 0.557 4.726 4.170 -0.002 0.000 0.295 39 I C -0.210 175.511 176.117 -0.661 0.000 1.078 39 I CA -1.006 59.806 61.300 -0.813 0.000 1.048 39 I CB 2.754 40.356 38.000 -0.664 0.000 1.239 39 I HN 0.195 nan 8.210 nan 0.000 0.421 40 R N 3.113 123.359 120.500 -0.422 0.000 2.711 40 R HA 0.860 5.199 4.340 -0.002 0.000 0.284 40 R C -0.991 175.148 176.300 -0.268 0.000 0.968 40 R CA -0.937 54.919 56.100 -0.406 0.000 0.924 40 R CB 2.467 32.489 30.300 -0.463 0.000 1.162 40 R HN 0.762 nan 8.270 nan 0.000 0.465 41 A N 2.487 125.094 122.820 -0.356 0.000 2.355 41 A HA 0.663 4.982 4.320 -0.002 0.000 0.317 41 A C -1.599 175.809 177.584 -0.293 0.000 1.094 41 A CA -0.508 51.418 52.037 -0.185 0.000 0.764 41 A CB 0.881 19.803 19.000 -0.131 0.000 1.230 41 A HN 0.636 nan 8.150 nan 0.000 0.448 42 Y N 0.437 120.685 120.300 -0.087 0.000 2.524 42 Y HA 0.419 4.968 4.550 -0.003 0.000 0.344 42 Y C 0.505 176.398 175.900 -0.013 0.000 1.012 42 Y CA -0.577 57.483 58.100 -0.066 0.000 1.068 42 Y CB 1.640 40.035 38.460 -0.107 0.000 1.249 42 Y HN 0.704 nan 8.280 nan 0.000 0.468 43 E N 1.118 121.429 120.200 0.184 0.000 2.354 43 E HA 0.370 4.718 4.350 -0.002 0.000 0.269 43 E C -0.327 176.360 176.600 0.145 0.000 1.036 43 E CA -0.186 56.299 56.400 0.140 0.000 0.876 43 E CB 0.973 30.743 29.700 0.117 0.000 1.009 43 E HN 0.653 nan 8.360 nan 0.000 0.416 44 T N -1.912 112.733 114.554 0.151 0.000 2.812 44 T HA 0.504 4.853 4.350 -0.002 0.000 0.294 44 T C 0.707 175.486 174.700 0.131 0.000 1.159 44 T CA -0.302 61.895 62.100 0.162 0.000 1.008 44 T CB 1.395 70.430 68.868 0.279 0.000 1.289 44 T HN 0.322 nan 8.240 nan 0.000 0.514 45 A N 0.363 123.244 122.820 0.103 0.000 2.070 45 A HA 0.072 4.391 4.320 -0.002 0.000 0.220 45 A C 1.695 179.300 177.584 0.034 0.000 1.159 45 A CA 1.021 53.091 52.037 0.056 0.000 0.656 45 A CB -0.658 18.361 19.000 0.033 0.000 0.800 45 A HN 0.769 nan 8.150 nan 0.000 0.453 46 K N -0.487 119.938 120.400 0.043 0.000 2.498 46 K HA 0.399 4.717 4.320 -0.002 0.000 0.207 46 K C 0.516 177.161 176.600 0.074 0.000 1.033 46 K CA 0.315 56.575 56.287 -0.045 0.000 1.138 46 K CB 0.032 32.321 32.500 -0.352 0.000 0.860 46 K HN 0.590 nan 8.250 nan 0.000 0.490 47 G N 2.198 111.078 108.800 0.133 0.000 2.710 47 G HA2 -0.176 3.783 3.960 -0.002 0.000 0.668 47 G HA3 -0.176 3.783 3.960 -0.002 0.000 0.668 47 G C -3.003 172.022 174.900 0.208 0.000 1.320 47 G CA -1.324 43.866 45.100 0.150 0.000 0.860 47 G HN -0.075 nan 8.290 nan 0.000 0.538 48 P HA 0.428 nan 4.420 nan 0.000 0.265 48 P C -0.134 177.222 177.300 0.095 0.000 1.193 48 P CA 1.146 64.315 63.100 0.115 0.000 0.765 48 P CB 0.964 32.714 31.700 0.083 0.000 0.823 49 A N 4.202 127.033 122.820 0.019 0.000 2.359 49 A HA 0.565 4.883 4.320 -0.002 0.000 0.303 49 A C -0.475 177.079 177.584 -0.050 0.000 1.066 49 A CA -0.712 51.236 52.037 -0.149 0.000 0.730 49 A CB 0.547 19.299 19.000 -0.414 0.000 1.211 49 A HN 0.432 nan 8.150 nan 0.000 0.439 50 I N 2.218 122.747 120.570 -0.069 0.000 2.395 50 I HA 0.181 4.350 4.170 -0.002 0.000 0.289 50 I C -0.381 175.756 176.117 0.033 0.000 1.023 50 I CA -0.210 61.072 61.300 -0.030 0.000 1.350 50 I CB 0.826 38.781 38.000 -0.075 0.000 1.409 50 I HN 0.669 nan 8.210 nan 0.000 0.507 51 F N 6.699 126.612 119.950 -0.062 0.000 2.444 51 F HA 0.318 4.844 4.527 -0.002 0.000 0.360 51 F C 0.911 176.709 175.800 -0.004 0.000 1.106 51 F CA -0.676 57.300 58.000 -0.040 0.000 1.170 51 F CB -0.050 38.937 39.000 -0.022 0.000 1.113 51 F HN 0.438 nan 8.300 nan 0.000 0.521 52 R N 4.765 124.889 120.500 -0.627 0.000 3.188 52 R HA -0.250 4.088 4.340 -0.002 0.000 0.247 52 R C 0.965 177.192 176.300 -0.121 0.000 0.918 52 R CA 0.540 56.349 56.100 -0.486 0.000 0.629 52 R CB -1.794 27.994 30.300 -0.852 0.000 1.087 52 R HN 0.740 nan 8.270 nan 0.000 0.462 53 L N 2.066 123.243 121.223 -0.077 0.000 2.042 53 L HA -0.247 4.092 4.340 -0.002 0.000 0.210 53 L C 2.587 179.451 176.870 -0.010 0.000 1.076 53 L CA 2.341 57.164 54.840 -0.029 0.000 0.749 53 L CB -0.250 41.774 42.059 -0.057 0.000 0.893 53 L HN 0.349 nan 8.230 nan 0.000 0.432 54 K N -0.571 119.808 120.400 -0.035 0.000 2.032 54 K HA -0.218 4.100 4.320 -0.002 0.000 0.209 54 K C 1.748 178.332 176.600 -0.027 0.000 1.048 54 K CA 1.856 58.127 56.287 -0.026 0.000 0.927 54 K CB -1.145 31.339 32.500 -0.026 0.000 0.712 54 K HN 0.417 nan 8.250 nan 0.000 0.441 55 E N 0.715 120.869 120.200 -0.077 0.000 2.077 55 E HA -0.151 4.198 4.350 -0.002 0.000 0.193 55 E C 2.264 178.784 176.600 -0.134 0.000 0.989 55 E CA 0.967 57.289 56.400 -0.130 0.000 0.800 55 E CB -0.380 29.178 29.700 -0.237 0.000 0.746 55 E HN 0.521 nan 8.360 nan 0.000 0.452 56 H N 0.040 119.077 119.070 -0.055 0.000 2.389 56 H HA -0.036 4.519 4.556 -0.003 0.000 0.299 56 H C 2.301 177.651 175.328 0.036 0.000 1.081 56 H CA 1.054 57.086 56.048 -0.027 0.000 1.345 56 H CB 0.068 29.784 29.762 -0.077 0.000 1.393 56 H HN -0.014 nan 8.280 nan 0.000 0.520 57 V N 1.254 121.254 119.914 0.145 0.000 2.427 57 V HA -0.206 3.912 4.120 -0.002 0.000 0.248 57 V C 2.602 178.886 176.094 0.317 0.000 1.051 57 V CA 1.698 64.123 62.300 0.208 0.000 1.048 57 V CB -0.369 31.530 31.823 0.127 0.000 0.666 57 V HN 0.329 nan 8.190 nan 0.000 0.456 58 K N 0.523 121.017 120.400 0.157 0.000 2.057 58 K HA -0.241 4.078 4.320 -0.002 0.000 0.207 58 K C 2.372 179.069 176.600 0.163 0.000 1.049 58 K CA 1.851 58.214 56.287 0.127 0.000 0.931 58 K CB -0.191 32.327 32.500 0.030 0.000 0.714 58 K HN 0.298 nan 8.250 nan 0.000 0.440 59 R N -0.453 120.116 120.500 0.115 0.000 2.120 59 R HA -0.145 4.193 4.340 -0.002 0.000 0.234 59 R C 2.178 178.570 176.300 0.153 0.000 1.123 59 R CA 1.315 57.467 56.100 0.087 0.000 0.975 59 R CB -0.341 29.974 30.300 0.025 0.000 0.866 59 R HN 0.243 nan 8.270 nan 0.000 0.446 60 F N 0.250 120.238 119.950 0.063 0.000 2.069 60 F HA -0.238 4.286 4.527 -0.005 0.000 0.298 60 F C 1.429 177.213 175.800 -0.026 0.000 1.113 60 F CA 1.638 59.643 58.000 0.008 0.000 1.214 60 F CB -0.563 38.440 39.000 0.006 0.000 0.978 60 F HN 0.008 nan 8.300 nan 0.000 0.474 61 Y N 0.307 120.647 120.300 0.066 0.000 2.293 61 Y HA -0.154 4.394 4.550 -0.004 0.000 0.291 61 Y C 2.329 178.186 175.900 -0.071 0.000 1.137 61 Y CA 1.819 59.895 58.100 -0.041 0.000 1.202 61 Y CB -1.115 37.371 38.460 0.044 0.000 0.990 61 Y HN 0.192 nan 8.280 nan 0.000 0.537 62 N N -0.914 117.845 118.700 0.099 0.000 2.188 62 N HA -0.158 4.580 4.740 -0.002 0.000 0.184 62 N C 1.879 177.367 175.510 -0.037 0.000 1.018 62 N CA 1.107 54.173 53.050 0.026 0.000 0.858 62 N CB -0.130 38.369 38.487 0.020 0.000 0.989 62 N HN 0.144 nan 8.380 nan 0.000 0.426 63 S N 0.633 116.286 115.700 -0.077 0.000 2.368 63 S HA -0.088 4.381 4.470 -0.002 0.000 0.225 63 S C 2.122 176.633 174.600 -0.149 0.000 1.030 63 S CA 1.010 59.141 58.200 -0.115 0.000 0.999 63 S CB -0.217 62.899 63.200 -0.141 0.000 0.844 63 S HN 0.445 nan 8.310 nan 0.000 0.459 64 A N 1.688 124.369 122.820 -0.233 0.000 1.933 64 A HA -0.148 4.170 4.320 -0.002 0.000 0.218 64 A C 1.997 179.512 177.584 -0.114 0.000 1.175 64 A CA 1.844 53.750 52.037 -0.219 0.000 0.628 64 A CB -0.527 18.278 19.000 -0.324 0.000 0.814 64 A HN 0.495 nan 8.150 nan 0.000 0.444 65 K N -0.115 120.240 120.400 -0.075 0.000 2.103 65 K HA -0.112 4.207 4.320 -0.002 0.000 0.207 65 K C 1.698 178.271 176.600 -0.045 0.000 1.048 65 K CA 1.622 57.885 56.287 -0.040 0.000 0.930 65 K CB -0.281 32.211 32.500 -0.015 0.000 0.716 65 K HN 0.238 nan 8.250 nan 0.000 0.444 66 V N 1.531 121.413 119.914 -0.052 0.000 2.392 66 V HA -0.222 3.897 4.120 -0.002 0.000 0.249 66 V C 2.055 178.120 176.094 -0.047 0.000 1.059 66 V CA 1.497 63.768 62.300 -0.049 0.000 1.051 66 V CB -0.289 31.501 31.823 -0.056 0.000 0.658 66 V HN 0.354 nan 8.190 nan 0.000 0.455 67 L N -0.855 120.338 121.223 -0.052 0.000 2.592 67 L HA 0.230 4.568 4.340 -0.002 0.000 0.227 67 L C 1.095 177.936 176.870 -0.048 0.000 1.127 67 L CA 0.115 54.930 54.840 -0.042 0.000 0.884 67 L CB -0.166 41.873 42.059 -0.033 0.000 1.065 67 L HN 0.303 nan 8.230 nan 0.000 0.457 68 R N -0.002 120.468 120.500 -0.049 0.000 3.651 68 R HA -0.190 4.149 4.340 -0.002 0.000 0.292 68 R C 0.266 176.531 176.300 -0.058 0.000 1.161 68 R CA 0.535 56.606 56.100 -0.047 0.000 0.787 68 R CB -1.715 28.560 30.300 -0.043 0.000 1.249 68 R HN 0.358 nan 8.270 nan 0.000 0.476 69 M N 1.422 120.980 119.600 -0.070 0.000 2.216 69 M HA 0.140 4.618 4.480 -0.002 0.000 0.356 69 M C -0.098 176.154 176.300 -0.081 0.000 1.205 69 M CA 0.068 55.317 55.300 -0.085 0.000 1.122 69 M CB 0.852 33.390 32.600 -0.103 0.000 1.571 69 M HN -0.070 nan 8.290 nan 0.000 0.464 70 E N 6.276 126.432 120.200 -0.073 0.000 2.134 70 E HA 0.353 4.702 4.350 -0.002 0.000 0.278 70 E C -0.884 175.685 176.600 -0.051 0.000 0.959 70 E CA -0.235 56.136 56.400 -0.049 0.000 0.783 70 E CB 1.287 30.959 29.700 -0.047 0.000 1.095 70 E HN 0.721 nan 8.360 nan 0.000 0.399 71 I N 5.592 126.150 120.570 -0.019 0.000 2.297 71 I HA 0.113 4.281 4.170 -0.002 0.000 0.291 71 I C -1.345 174.832 176.117 0.100 0.000 1.033 71 I CA -1.729 59.590 61.300 0.032 0.000 1.253 71 I CB 1.120 39.065 38.000 -0.092 0.000 1.396 71 I HN 0.143 nan 8.210 nan 0.000 0.476 72 P HA 0.071 nan 4.420 nan 0.000 0.269 72 P C -0.642 176.323 177.300 -0.557 0.000 1.461 72 P CA 0.541 63.474 63.100 -0.278 0.000 0.809 72 P CB -0.362 31.089 31.700 -0.415 0.000 1.503 73 F N -0.054 120.008 119.950 0.187 0.000 2.588 73 F HA 0.570 5.100 4.527 0.005 0.000 0.310 73 F C 0.354 176.314 175.800 0.268 0.000 1.082 73 F CA -1.405 56.731 58.000 0.228 0.000 0.929 73 F CB 1.297 40.475 39.000 0.297 0.000 1.254 73 F HN -0.201 nan 8.300 nan 0.000 0.455 74 A N 2.770 125.795 122.820 0.343 0.000 2.371 74 A HA 0.486 4.805 4.320 -0.002 0.000 0.257 74 A C -1.935 175.742 177.584 0.156 0.000 1.089 74 A CA -1.262 50.880 52.037 0.175 0.000 0.794 74 A CB 0.223 19.278 19.000 0.092 0.000 1.029 74 A HN 0.607 nan 8.150 nan 0.000 0.488 75 P HA -0.192 nan 4.420 nan 0.000 0.216 75 P C 0.803 178.095 177.300 -0.012 0.000 1.154 75 P CA 1.647 64.651 63.100 -0.159 0.000 0.865 75 P CB 0.187 31.628 31.700 -0.432 0.000 0.789 76 E N -0.285 119.902 120.200 -0.022 0.000 2.160 76 E HA -0.195 4.154 4.350 -0.002 0.000 0.195 76 E C 1.871 178.476 176.600 0.007 0.000 0.991 76 E CA 1.197 57.593 56.400 -0.007 0.000 0.810 76 E CB -0.789 28.912 29.700 0.001 0.000 0.742 76 E HN 0.468 nan 8.360 nan 0.000 0.466 77 E N -0.049 120.183 120.200 0.055 0.000 2.072 77 E HA -0.116 4.233 4.350 -0.002 0.000 0.191 77 E C 1.876 178.403 176.600 -0.121 0.000 0.985 77 E CA 0.439 56.872 56.400 0.055 0.000 0.801 77 E CB -0.058 29.776 29.700 0.223 0.000 0.750 77 E HN 0.139 nan 8.360 nan 0.000 0.452 78 L N 1.337 122.492 121.223 -0.113 0.000 2.046 78 L HA -0.171 4.168 4.340 -0.002 0.000 0.208 78 L C 2.102 178.794 176.870 -0.297 0.000 1.077 78 L CA 1.717 56.369 54.840 -0.313 0.000 0.747 78 L CB -0.714 41.300 42.059 -0.076 0.000 0.896 78 L HN 0.155 nan 8.230 nan 0.000 0.432 79 E N -0.499 119.613 120.200 -0.147 0.000 2.058 79 E HA -0.287 4.061 4.350 -0.002 0.000 0.194 79 E C 1.974 178.493 176.600 -0.134 0.000 0.997 79 E CA 1.489 57.815 56.400 -0.124 0.000 0.801 79 E CB 0.080 29.741 29.700 -0.065 0.000 0.746 79 E HN 0.308 nan 8.360 nan 0.000 0.450 80 E N 0.667 120.797 120.200 -0.117 0.000 2.077 80 E HA -0.164 4.185 4.350 -0.002 0.000 0.193 80 E C 1.799 178.327 176.600 -0.120 0.000 0.989 80 E CA 1.464 57.816 56.400 -0.079 0.000 0.800 80 E CB -0.293 29.391 29.700 -0.027 0.000 0.746 80 E HN 0.243 nan 8.360 nan 0.000 0.452 81 A N 0.516 123.145 122.820 -0.318 0.000 1.902 81 A HA -0.142 4.176 4.320 -0.002 0.000 0.217 81 A C 2.406 179.827 177.584 -0.272 0.000 1.181 81 A CA 1.578 53.302 52.037 -0.522 0.000 0.623 81 A CB -0.743 17.289 19.000 -1.613 0.000 0.818 81 A HN 0.367 nan 8.150 nan 0.000 0.443 82 I N -0.542 119.847 120.570 -0.300 0.000 2.226 82 I HA -0.277 3.892 4.170 -0.002 0.000 0.245 82 I C 2.453 178.516 176.117 -0.091 0.000 1.100 82 I CA 1.570 62.749 61.300 -0.201 0.000 1.374 82 I CB -0.224 37.638 38.000 -0.230 0.000 1.057 82 I HN 0.310 nan 8.210 nan 0.000 0.413 83 K N 0.524 120.879 120.400 -0.074 0.000 2.062 83 K HA -0.147 4.172 4.320 -0.002 0.000 0.205 83 K C 1.966 178.563 176.600 -0.005 0.000 1.051 83 K CA 1.213 57.480 56.287 -0.033 0.000 0.941 83 K CB -0.135 32.349 32.500 -0.027 0.000 0.719 83 K HN 0.368 nan 8.250 nan 0.000 0.440 84 E N 0.712 120.927 120.200 0.026 0.000 2.110 84 E HA -0.158 4.190 4.350 -0.002 0.000 0.193 84 E C 2.009 178.589 176.600 -0.033 0.000 0.988 84 E CA 0.849 57.250 56.400 0.002 0.000 0.804 84 E CB -0.074 29.695 29.700 0.115 0.000 0.745 84 E HN 0.031 nan 8.360 nan 0.000 0.458 85 V N 0.743 120.787 119.914 0.218 0.000 2.594 85 V HA -0.195 3.924 4.120 -0.002 0.000 0.253 85 V C 2.004 178.163 176.094 0.108 0.000 1.069 85 V CA 1.241 63.708 62.300 0.279 0.000 1.082 85 V CB 0.050 32.064 31.823 0.318 0.000 0.680 85 V HN 0.085 nan 8.190 nan 0.000 0.469 86 V N -0.025 119.932 119.914 0.072 0.000 2.346 86 V HA -0.140 3.978 4.120 -0.002 0.000 0.244 86 V C 2.539 178.623 176.094 -0.016 0.000 1.037 86 V CA 2.136 64.496 62.300 0.099 0.000 1.029 86 V CB -0.716 31.149 31.823 0.069 0.000 0.663 86 V HN 0.470 nan 8.190 nan 0.000 0.454 87 R N 0.297 120.765 120.500 -0.053 0.000 2.088 87 R HA -0.123 4.215 4.340 -0.002 0.000 0.232 87 R C 2.475 178.679 176.300 -0.160 0.000 1.136 87 R CA 1.725 57.772 56.100 -0.088 0.000 0.926 87 R CB -0.460 29.789 30.300 -0.085 0.000 0.837 87 R HN 0.418 nan 8.270 nan 0.000 0.429 88 R N 0.442 120.796 120.500 -0.243 0.000 2.200 88 R HA -0.064 4.275 4.340 -0.002 0.000 0.234 88 R C 1.206 177.341 176.300 -0.274 0.000 1.127 88 R CA 0.893 56.816 56.100 -0.295 0.000 0.989 88 R CB -0.224 29.770 30.300 -0.509 0.000 0.869 88 R HN 0.345 nan 8.270 nan 0.000 0.459 89 N N -0.394 118.094 118.700 -0.353 0.000 2.236 89 N HA 0.025 4.764 4.740 -0.002 0.000 0.196 89 N C 0.639 175.818 175.510 -0.551 0.000 1.114 89 N CA 0.764 53.475 53.050 -0.565 0.000 0.859 89 N CB 1.310 39.148 38.487 -1.081 0.000 0.982 89 N HN 0.317 nan 8.380 nan 0.000 0.493 90 G N 1.206 109.826 108.800 -0.300 0.000 2.221 90 G HA2 -0.301 3.657 3.960 -0.002 0.000 0.265 90 G HA3 -0.301 3.657 3.960 -0.002 0.000 0.265 90 G C -0.278 174.612 174.900 -0.018 0.000 1.041 90 G CA 0.057 45.078 45.100 -0.131 0.000 0.807 90 G HN 0.439 nan 8.290 nan 0.000 0.502 91 Y N -1.082 119.226 120.300 0.015 0.000 2.301 91 Y HA 0.503 5.051 4.550 -0.003 0.000 0.328 91 Y C 1.823 177.732 175.900 0.015 0.000 1.242 91 Y CA -0.707 57.406 58.100 0.021 0.000 1.323 91 Y CB 0.902 39.369 38.460 0.013 0.000 1.266 91 Y HN 0.121 nan 8.280 nan 0.000 0.527 92 R N 0.062 120.683 120.500 0.202 0.000 2.342 92 R HA 0.183 4.522 4.340 -0.002 0.000 0.179 92 R C -0.395 175.939 176.300 0.056 0.000 0.989 92 R CA 0.076 56.244 56.100 0.113 0.000 1.125 92 R CB 0.294 30.657 30.300 0.105 0.000 1.211 92 R HN 0.320 nan 8.270 nan 0.000 0.568 93 S N 1.349 117.071 115.700 0.038 0.000 2.520 93 S HA 0.435 4.904 4.470 -0.002 0.000 0.324 93 S C -0.369 174.192 174.600 -0.065 0.000 1.069 93 S CA -0.795 57.380 58.200 -0.041 0.000 1.121 93 S CB 0.972 64.192 63.200 0.034 0.000 0.971 93 S HN 0.464 nan 8.310 nan 0.000 0.463 94 C N 1.865 121.054 119.300 -0.185 0.000 3.332 94 C HA 0.799 5.258 4.460 -0.002 0.000 0.329 94 C C -1.474 173.350 174.990 -0.277 0.000 1.434 94 C CA -1.180 57.703 59.018 -0.226 0.000 1.314 94 C CB 0.394 27.873 27.740 -0.435 0.000 1.664 94 C HN 0.734 nan 8.230 nan 0.000 0.457 95 Y N 0.753 120.755 120.300 -0.496 0.000 2.364 95 Y HA 0.812 5.361 4.550 -0.002 0.000 0.340 95 Y C -0.590 174.830 175.900 -0.799 0.000 0.975 95 Y CA -1.091 56.653 58.100 -0.593 0.000 1.089 95 Y CB 0.971 39.181 38.460 -0.416 0.000 1.192 95 Y HN 0.723 nan 8.280 nan 0.000 0.454 96 I N 6.582 126.552 120.570 -0.999 0.000 2.354 96 I HA 0.433 4.602 4.170 -0.002 0.000 0.292 96 I C -0.658 174.961 176.117 -0.831 0.000 0.989 96 I CA -0.899 59.951 61.300 -0.750 0.000 1.188 96 I CB 1.565 39.270 38.000 -0.492 0.000 1.342 96 I HN 0.451 nan 8.210 nan 0.000 0.457 97 R N 8.261 128.448 120.500 -0.522 0.000 2.363 97 R HA 0.507 4.846 4.340 -0.002 0.000 0.297 97 R C -2.907 173.336 176.300 -0.095 0.000 1.208 97 R CA -2.133 53.821 56.100 -0.244 0.000 1.121 97 R CB 0.714 31.019 30.300 0.008 0.000 1.124 97 R HN 0.180 nan 8.270 nan 0.000 0.561 98 P HA 0.269 nan 4.420 nan 0.000 0.279 98 P C -1.422 175.924 177.300 0.076 0.000 1.239 98 P CA -0.568 62.394 63.100 -0.229 0.000 0.789 98 P CB 1.156 32.435 31.700 -0.701 0.000 0.933 99 L N 2.206 123.599 121.223 0.282 0.000 2.482 99 L HA 0.788 5.127 4.340 -0.002 0.000 0.263 99 L C -1.614 175.694 176.870 0.730 0.000 0.957 99 L CA -0.656 54.519 54.840 0.559 0.000 0.836 99 L CB 1.792 44.085 42.059 0.389 0.000 1.324 99 L HN 0.422 nan 8.230 nan 0.000 0.406 100 A N 3.980 127.205 122.820 0.676 0.000 2.343 100 A HA 0.854 5.173 4.320 -0.002 0.000 0.308 100 A C -1.737 176.106 177.584 0.431 0.000 1.092 100 A CA -0.332 51.959 52.037 0.424 0.000 0.751 100 A CB 0.645 19.696 19.000 0.086 0.000 1.203 100 A HN 0.950 nan 8.150 nan 0.000 0.452 101 W N 1.970 123.342 121.300 0.119 0.000 3.033 101 W HA 0.742 5.403 4.660 0.002 0.000 0.336 101 W C -1.059 175.511 176.519 0.084 0.000 1.173 101 W CA -1.300 56.108 57.345 0.105 0.000 1.185 101 W CB 1.022 30.554 29.460 0.120 0.000 1.425 101 W HN 0.351 nan 8.180 nan 0.000 0.536 102 M N 3.586 123.311 119.600 0.208 0.000 2.188 102 M HA 0.303 4.781 4.480 -0.002 0.000 0.354 102 M C 0.662 177.071 176.300 0.181 0.000 1.342 102 M CA -0.168 55.178 55.300 0.077 0.000 1.117 102 M CB 0.087 32.720 32.600 0.054 0.000 1.670 102 M HN 0.870 nan 8.290 nan 0.000 0.466 103 G N 2.131 110.945 108.800 0.024 0.000 2.494 103 G HA2 0.472 4.431 3.960 -0.002 0.000 0.270 103 G HA3 0.472 4.431 3.960 -0.002 0.000 0.270 103 G C 0.229 175.216 174.900 0.146 0.000 1.423 103 G CA -0.079 45.081 45.100 0.100 0.000 1.055 103 G HN 0.808 nan 8.290 nan 0.000 0.536 104 A N -1.089 121.798 122.820 0.113 0.000 2.476 104 A HA 0.302 4.620 4.320 -0.002 0.000 0.263 104 A C 1.759 179.373 177.584 0.051 0.000 1.342 104 A CA 0.065 52.152 52.037 0.084 0.000 0.926 104 A CB -0.197 18.850 19.000 0.079 0.000 1.019 104 A HN 0.566 nan 8.150 nan 0.000 0.515 105 K N -0.097 120.328 120.400 0.042 0.000 2.148 105 K HA 0.196 4.514 4.320 -0.002 0.000 0.204 105 K C 0.671 177.291 176.600 0.033 0.000 1.050 105 K CA 1.156 57.456 56.287 0.023 0.000 0.942 105 K CB -0.020 32.481 32.500 0.002 0.000 0.724 105 K HN 0.558 nan 8.250 nan 0.000 0.446 106 A N -0.090 122.767 122.820 0.062 0.000 2.601 106 A HA 0.490 4.809 4.320 -0.002 0.000 0.291 106 A C -0.966 176.708 177.584 0.149 0.000 1.075 106 A CA -0.703 51.380 52.037 0.076 0.000 0.671 106 A CB 0.854 19.892 19.000 0.063 0.000 1.277 106 A HN 0.089 nan 8.150 nan 0.000 0.417 107 L N 1.434 122.733 121.223 0.126 0.000 3.202 107 L HA 0.338 4.677 4.340 -0.002 0.000 0.278 107 L C 1.099 178.114 176.870 0.241 0.000 1.268 107 L CA -0.046 54.901 54.840 0.178 0.000 1.034 107 L CB 0.555 42.596 42.059 -0.030 0.000 1.407 107 L HN 0.892 nan 8.230 nan 0.000 0.581 108 G N -0.500 108.408 108.800 0.181 0.000 2.503 108 G HA2 0.228 4.186 3.960 -0.002 0.000 0.257 108 G HA3 0.228 4.186 3.960 -0.002 0.000 0.257 108 G C 0.924 175.844 174.900 0.033 0.000 1.214 108 G CA -0.324 44.824 45.100 0.080 0.000 0.839 108 G HN -0.076 nan 8.290 nan 0.000 0.559 109 V N 1.471 121.265 119.914 -0.200 0.000 2.469 109 V HA -0.109 4.010 4.120 -0.002 0.000 0.251 109 V C 1.416 177.488 176.094 -0.036 0.000 1.064 109 V CA 1.439 63.477 62.300 -0.437 0.000 1.066 109 V CB -0.539 31.041 31.823 -0.405 0.000 0.667 109 V HN 0.695 nan 8.190 nan 0.000 0.461 110 N N 0.882 119.581 118.700 -0.000 0.000 2.452 110 N HA 0.056 4.795 4.740 -0.002 0.000 0.266 110 N C -1.405 174.080 175.510 -0.041 0.000 1.209 110 N CA -1.327 51.718 53.050 -0.009 0.000 0.929 110 N CB 1.477 39.949 38.487 -0.024 0.000 1.063 110 N HN 0.282 nan 8.380 nan 0.000 0.472 111 P HA -0.022 nan 4.420 nan 0.000 0.235 111 P C 1.638 178.792 177.300 -0.243 0.000 1.177 111 P CA 0.408 63.244 63.100 -0.440 0.000 0.785 111 P CB 0.528 32.005 31.700 -0.372 0.000 0.885 112 L N 0.414 121.556 121.223 -0.135 0.000 1.997 112 L HA -0.153 4.186 4.340 -0.002 0.000 0.216 112 L C -0.251 176.567 176.870 -0.087 0.000 1.074 112 L CA 2.322 57.105 54.840 -0.095 0.000 0.763 112 L CB -2.639 39.381 42.059 -0.064 0.000 0.890 112 L HN 0.058 nan 8.230 nan 0.000 0.434 113 P HA -0.121 nan 4.420 nan 0.000 0.223 113 P C 0.615 177.878 177.300 -0.062 0.000 1.144 113 P CA 1.187 64.255 63.100 -0.054 0.000 0.783 113 P CB -0.102 31.579 31.700 -0.031 0.000 0.771 114 N N -1.895 116.746 118.700 -0.098 0.000 2.412 114 N HA -0.009 4.729 4.740 -0.002 0.000 0.184 114 N C 0.410 175.863 175.510 -0.096 0.000 1.101 114 N CA 0.174 53.169 53.050 -0.092 0.000 0.881 114 N CB -0.483 37.925 38.487 -0.132 0.000 0.969 114 N HN 0.099 nan 8.380 nan 0.000 0.459 115 N N 1.873 120.515 118.700 -0.096 0.000 2.453 115 N HA 0.091 4.830 4.740 -0.002 0.000 0.253 115 N C -2.252 173.207 175.510 -0.084 0.000 1.252 115 N CA -0.551 52.443 53.050 -0.092 0.000 0.917 115 N CB 0.359 38.798 38.487 -0.081 0.000 1.117 115 N HN 0.153 nan 8.380 nan 0.000 0.442 116 P HA 0.199 nan 4.420 nan 0.000 0.276 116 P C -0.989 176.232 177.300 -0.131 0.000 1.252 116 P CA -0.469 62.569 63.100 -0.104 0.000 0.802 116 P CB 0.650 32.283 31.700 -0.111 0.000 1.035 117 A N 1.508 124.249 122.820 -0.133 0.000 2.366 117 A HA 0.197 4.516 4.320 -0.002 0.000 0.249 117 A C 0.326 177.751 177.584 -0.265 0.000 1.084 117 A CA -0.307 51.614 52.037 -0.193 0.000 0.794 117 A CB -0.238 18.677 19.000 -0.142 0.000 1.034 117 A HN 0.569 nan 8.150 nan 0.000 0.491 118 E N -0.290 119.562 120.200 -0.579 0.000 2.277 118 E HA 0.528 4.877 4.350 -0.002 0.000 0.274 118 E C -1.100 175.051 176.600 -0.748 0.000 1.022 118 E CA -0.545 55.390 56.400 -0.774 0.000 0.853 118 E CB 1.679 30.593 29.700 -1.309 0.000 1.086 118 E HN 0.371 nan 8.360 nan 0.000 0.397 119 V N 2.590 122.335 119.914 -0.282 0.000 2.789 119 V HA 0.518 4.636 4.120 -0.002 0.000 0.311 119 V C -0.563 175.709 176.094 0.297 0.000 1.073 119 V CA -0.944 61.438 62.300 0.138 0.000 0.921 119 V CB 1.498 33.526 31.823 0.341 0.000 1.009 119 V HN 0.736 nan 8.190 nan 0.000 0.426 120 M N 3.720 123.638 119.600 0.529 0.000 2.520 120 M HA 0.933 5.412 4.480 -0.002 0.000 0.283 120 M C -1.949 174.557 176.300 0.344 0.000 1.237 120 M CA -0.602 54.979 55.300 0.468 0.000 0.885 120 M CB 2.309 35.177 32.600 0.447 0.000 1.727 120 M HN 0.181 nan 8.290 nan 0.000 0.468 121 V N 2.004 122.085 119.914 0.278 0.000 2.482 121 V HA 0.977 5.095 4.120 -0.002 0.000 0.295 121 V C -0.538 175.622 176.094 0.111 0.000 1.026 121 V CA -0.208 62.132 62.300 0.066 0.000 0.856 121 V CB 1.075 32.806 31.823 -0.153 0.000 1.001 121 V HN 1.209 nan 8.190 nan 0.000 0.424 122 A N 3.801 126.682 122.820 0.102 0.000 2.386 122 A HA 1.087 5.406 4.320 -0.002 0.000 0.308 122 A C -0.403 177.220 177.584 0.066 0.000 1.128 122 A CA -0.185 51.962 52.037 0.184 0.000 0.789 122 A CB 2.118 21.292 19.000 0.290 0.000 1.325 122 A HN 1.694 nan 8.150 nan 0.000 0.437 123 A N -0.466 122.459 122.820 0.175 0.000 2.606 123 A HA 0.843 5.162 4.320 -0.002 0.000 0.293 123 A C -1.619 176.057 177.584 0.154 0.000 1.082 123 A CA -0.263 51.720 52.037 -0.089 0.000 0.685 123 A CB 0.790 19.786 19.000 -0.006 0.000 1.284 123 A HN 2.072 nan 8.150 nan 0.000 0.408 124 W N -1.285 119.913 121.300 -0.171 0.000 3.296 124 W HA 0.716 5.375 4.660 -0.002 0.000 0.314 124 W C -0.004 176.200 176.519 -0.526 0.000 1.238 124 W CA -0.373 56.756 57.345 -0.361 0.000 1.193 124 W CB 0.278 29.703 29.460 -0.058 0.000 1.383 124 W HN 1.210 nan 8.180 nan 0.000 0.545 125 E N 3.872 123.845 120.200 -0.378 0.000 2.529 125 E HA 0.006 4.354 4.350 -0.002 0.000 0.259 125 E C -0.115 176.550 176.600 0.108 0.000 0.966 125 E CA -0.159 56.133 56.400 -0.179 0.000 0.937 125 E CB 0.453 30.147 29.700 -0.009 0.000 0.923 125 E HN 0.628 nan 8.360 nan 0.000 0.468 139 A N 0.071 122.927 122.820 0.060 0.000 2.322 139 A HA 0.792 5.111 4.320 -0.002 0.000 0.269 139 A C 0.420 178.028 177.584 0.039 0.000 1.094 139 A CA -0.272 51.796 52.037 0.052 0.000 0.807 139 A CB 0.507 19.540 19.000 0.055 0.000 1.047 139 A HN 0.633 nan 8.150 nan 0.000 0.487 140 R N 1.119 121.632 120.500 0.022 0.000 2.343 140 R HA 0.566 4.905 4.340 -0.002 0.000 0.320 140 R C -1.096 175.155 176.300 -0.081 0.000 0.956 140 R CA -0.285 55.801 56.100 -0.022 0.000 0.836 140 R CB 1.135 31.440 30.300 0.007 0.000 1.151 140 R HN 0.655 nan 8.270 nan 0.000 0.450 141 L N 3.635 124.787 121.223 -0.118 0.000 2.313 141 L HA 0.680 5.018 4.340 -0.002 0.000 0.268 141 L C -0.142 176.581 176.870 -0.246 0.000 1.010 141 L CA -1.092 53.671 54.840 -0.129 0.000 0.814 141 L CB 1.597 43.620 42.059 -0.060 0.000 1.304 141 L HN 0.470 nan 8.230 nan 0.000 0.441 142 I N -0.149 120.301 120.570 -0.200 0.000 2.619 142 I HA 0.218 4.387 4.170 -0.002 0.000 0.292 142 I C -0.438 175.615 176.117 -0.107 0.000 1.100 142 I CA -0.409 60.751 61.300 -0.234 0.000 1.043 142 I CB 2.678 40.519 38.000 -0.266 0.000 1.239 142 I HN 0.531 nan 8.210 nan 0.000 0.420 143 T N 3.670 118.177 114.554 -0.077 0.000 2.870 143 T HA 0.086 4.434 4.350 -0.002 0.000 0.300 143 T C 0.225 174.912 174.700 -0.021 0.000 0.989 143 T CA 0.078 62.154 62.100 -0.041 0.000 1.139 143 T CB 0.940 69.789 68.868 -0.031 0.000 0.920 143 T HN 0.567 nan 8.240 nan 0.000 0.537 144 S N 1.633 117.334 115.700 0.003 0.000 2.592 144 S HA 0.174 4.642 4.470 -0.002 0.000 0.271 144 S C 1.480 176.090 174.600 0.017 0.000 1.326 144 S CA -0.462 57.769 58.200 0.050 0.000 1.024 144 S CB 0.441 63.707 63.200 0.110 0.000 0.921 144 S HN 0.788 nan 8.310 nan 0.000 0.527 145 S N 2.178 117.875 115.700 -0.005 0.000 2.593 145 S HA 0.173 4.641 4.470 -0.002 0.000 0.217 145 S C -0.322 174.096 174.600 -0.304 0.000 0.966 145 S CA -0.568 57.531 58.200 -0.169 0.000 0.914 145 S CB -0.267 62.785 63.200 -0.246 0.000 0.776 145 S HN 0.659 nan 8.310 nan 0.000 0.523 146 W N 1.814 123.093 121.300 -0.035 0.000 2.429 146 W HA 0.740 5.399 4.660 -0.002 0.000 0.314 146 W C 0.190 176.668 176.519 -0.069 0.000 1.062 146 W CA -0.847 56.473 57.345 -0.041 0.000 1.211 146 W CB 1.100 30.537 29.460 -0.038 0.000 1.305 146 W HN 0.160 nan 8.180 nan 0.000 0.476 147 A N 3.503 126.397 122.820 0.124 0.000 2.316 147 A HA 0.653 4.972 4.320 -0.002 0.000 0.284 147 A C -0.029 177.537 177.584 -0.031 0.000 1.115 147 A CA -0.735 51.319 52.037 0.029 0.000 0.812 147 A CB 0.500 19.508 19.000 0.013 0.000 1.064 147 A HN 0.619 nan 8.150 nan 0.000 0.489 148 R N 1.050 121.470 120.500 -0.134 0.000 2.590 148 R HA 0.321 4.659 4.340 -0.002 0.000 0.274 148 R C -0.603 175.543 176.300 -0.257 0.000 1.061 148 R CA -0.360 55.515 56.100 -0.375 0.000 1.081 148 R CB -0.495 29.613 30.300 -0.321 0.000 0.984 148 R HN 0.545 nan 8.270 nan 0.000 0.448 149 F N 3.523 123.487 119.950 0.024 0.000 2.572 149 F HA 0.327 4.853 4.527 -0.002 0.000 0.370 149 F C -1.877 173.933 175.800 0.017 0.000 1.103 149 F CA -2.921 55.093 58.000 0.024 0.000 1.286 149 F CB -0.776 38.230 39.000 0.011 0.000 1.105 149 F HN 0.434 nan 8.300 nan 0.000 0.583 150 P HA 0.128 nan 4.420 nan 0.000 0.270 150 P C 0.258 177.648 177.300 0.149 0.000 1.223 150 P CA 0.148 63.338 63.100 0.150 0.000 0.785 150 P CB 0.748 32.508 31.700 0.100 0.000 0.923 151 A N 2.107 124.986 122.820 0.098 0.000 2.248 151 A HA -0.116 4.203 4.320 -0.002 0.000 0.210 151 A C 1.072 178.671 177.584 0.025 0.000 1.174 151 A CA 1.086 53.161 52.037 0.063 0.000 0.750 151 A CB -1.090 17.937 19.000 0.045 0.000 0.780 151 A HN 0.679 nan 8.150 nan 0.000 0.478 152 N N -0.938 117.780 118.700 0.030 0.000 2.282 152 N HA 0.153 4.892 4.740 -0.002 0.000 0.240 152 N C 0.355 175.870 175.510 0.009 0.000 1.182 152 N CA 0.502 53.559 53.050 0.011 0.000 0.874 152 N CB 0.326 38.822 38.487 0.015 0.000 1.126 152 N HN 0.131 nan 8.380 nan 0.000 0.516 153 V N -0.642 119.279 119.914 0.011 0.000 3.029 153 V HA 0.392 4.510 4.120 -0.002 0.000 0.230 153 V C 0.283 176.332 176.094 -0.075 0.000 1.254 153 V CA 0.704 63.009 62.300 0.008 0.000 1.276 153 V CB 0.236 32.105 31.823 0.077 0.000 1.080 153 V HN 0.172 nan 8.190 nan 0.000 0.495 154 M N 1.578 121.069 119.600 -0.182 0.000 2.446 154 M HA 0.438 4.917 4.480 -0.002 0.000 0.294 154 M C -3.051 173.004 176.300 -0.409 0.000 1.158 154 M CA -1.917 53.118 55.300 -0.442 0.000 0.899 154 M CB 2.032 34.004 32.600 -1.048 0.000 1.687 154 M HN -0.048 nan 8.290 nan 0.000 0.455 155 P HA 0.160 nan 4.420 nan 0.000 0.260 155 P C 0.808 178.001 177.300 -0.179 0.000 1.651 155 P CA 0.108 63.098 63.100 -0.184 0.000 1.139 155 P CB -0.238 31.387 31.700 -0.125 0.000 1.756 156 G N 3.771 112.521 108.800 -0.084 0.000 2.535 156 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.218 156 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.218 156 G C 1.326 176.269 174.900 0.070 0.000 1.122 156 G CA 0.269 45.441 45.100 0.120 0.000 0.769 156 G HN 0.307 nan 8.290 nan 0.000 0.549 157 K N 0.339 120.742 120.400 0.005 0.000 2.459 157 K HA 0.305 4.624 4.320 -0.002 0.000 0.193 157 K C 0.903 177.488 176.600 -0.025 0.000 1.030 157 K CA 0.321 56.596 56.287 -0.021 0.000 1.026 157 K CB 0.419 32.890 32.500 -0.049 0.000 0.809 157 K HN 0.307 nan 8.250 nan 0.000 0.504 158 A N 1.093 123.897 122.820 -0.027 0.000 2.356 158 A HA 0.456 4.774 4.320 -0.002 0.000 0.323 158 A C -0.611 176.965 177.584 -0.013 0.000 1.119 158 A CA -0.673 51.343 52.037 -0.036 0.000 0.790 158 A CB 0.971 19.938 19.000 -0.056 0.000 1.273 158 A HN 0.022 nan 8.150 nan 0.000 0.452 159 K N 1.629 121.994 120.400 -0.057 0.000 2.333 159 K HA 0.352 4.671 4.320 -0.002 0.000 0.241 159 K C -0.954 175.601 176.600 -0.076 0.000 1.193 159 K CA -0.098 56.127 56.287 -0.105 0.000 1.142 159 K CB 0.409 32.596 32.500 -0.522 0.000 1.731 159 K HN 0.386 nan 8.250 nan 0.000 0.344 160 V N 1.443 121.415 119.914 0.098 0.000 2.498 160 V HA 0.067 4.186 4.120 -0.002 0.000 0.279 160 V C 1.754 178.055 176.094 0.345 0.000 1.048 160 V CA -0.026 62.359 62.300 0.141 0.000 0.967 160 V CB 1.311 33.163 31.823 0.047 0.000 0.988 160 V HN 0.861 nan 8.190 nan 0.000 0.473 161 G N 4.204 113.234 108.800 0.384 0.000 2.574 161 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.220 161 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.220 161 G C 1.565 176.691 174.900 0.377 0.000 1.173 161 G CA 1.153 46.519 45.100 0.443 0.000 0.772 161 G HN 0.980 nan 8.290 nan 0.000 0.585 162 G N 0.860 109.804 108.800 0.239 0.000 2.450 162 G HA2 -0.273 3.685 3.960 -0.002 0.000 0.220 162 G HA3 -0.273 3.685 3.960 -0.002 0.000 0.220 162 G C 1.723 176.712 174.900 0.148 0.000 1.130 162 G CA 1.221 46.420 45.100 0.166 0.000 0.760 162 G HN 0.442 nan 8.290 nan 0.000 0.557 163 N N 0.132 118.906 118.700 0.122 0.000 2.205 163 N HA -0.109 4.630 4.740 -0.002 0.000 0.186 163 N C 1.420 176.995 175.510 0.109 0.000 1.015 163 N CA 0.789 53.852 53.050 0.021 0.000 0.862 163 N CB -0.454 37.956 38.487 -0.128 0.000 0.986 163 N HN 0.477 nan 8.380 nan 0.000 0.429 164 Y N -0.105 120.338 120.300 0.239 0.000 2.632 164 Y HA 0.066 4.614 4.550 -0.003 0.000 0.301 164 Y C 1.922 177.882 175.900 0.100 0.000 1.172 164 Y CA -0.065 58.156 58.100 0.202 0.000 1.328 164 Y CB -0.134 38.468 38.460 0.237 0.000 1.016 164 Y HN -0.127 nan 8.280 nan 0.000 0.529 165 V N 0.189 120.187 119.914 0.140 0.000 2.379 165 V HA -0.265 3.854 4.120 -0.002 0.000 0.245 165 V C 2.402 178.442 176.094 -0.089 0.000 1.044 165 V CA 1.861 64.173 62.300 0.020 0.000 1.036 165 V CB -0.411 31.417 31.823 0.008 0.000 0.664 165 V HN 0.567 nan 8.190 nan 0.000 0.453 166 N N 0.100 118.784 118.700 -0.028 0.000 2.120 166 N HA -0.162 4.576 4.740 -0.002 0.000 0.188 166 N C 1.933 177.342 175.510 -0.169 0.000 1.024 166 N CA 1.873 54.852 53.050 -0.119 0.000 0.852 166 N CB 0.067 38.553 38.487 -0.002 0.000 1.003 166 N HN 0.415 nan 8.380 nan 0.000 0.424 167 S N 0.513 116.152 115.700 -0.100 0.000 2.368 167 S HA -0.012 4.457 4.470 -0.002 0.000 0.224 167 S C 2.104 176.692 174.600 -0.021 0.000 1.029 167 S CA 1.029 59.197 58.200 -0.054 0.000 0.988 167 S CB -0.289 62.928 63.200 0.027 0.000 0.838 167 S HN 0.568 nan 8.310 nan 0.000 0.462 168 A N 1.498 124.312 122.820 -0.010 0.000 1.877 168 A HA -0.013 4.306 4.320 -0.002 0.000 0.216 168 A C 2.106 179.616 177.584 -0.124 0.000 1.186 168 A CA 1.161 53.179 52.037 -0.032 0.000 0.620 168 A CB -0.772 18.216 19.000 -0.019 0.000 0.822 168 A HN 0.447 nan 8.150 nan 0.000 0.443 169 L N -0.832 120.222 121.223 -0.280 0.000 2.046 169 L HA -0.219 4.120 4.340 -0.002 0.000 0.208 169 L C 3.080 179.775 176.870 -0.291 0.000 1.077 169 L CA 1.140 55.694 54.840 -0.477 0.000 0.747 169 L CB -0.495 40.846 42.059 -1.198 0.000 0.896 169 L HN 0.457 nan 8.230 nan 0.000 0.432 170 A N -0.176 122.530 122.820 -0.190 0.000 1.897 170 A HA -0.212 4.106 4.320 -0.002 0.000 0.215 170 A C 2.290 179.891 177.584 0.028 0.000 1.181 170 A CA 1.709 53.757 52.037 0.019 0.000 0.620 170 A CB -0.338 18.677 19.000 0.025 0.000 0.821 170 A HN 0.198 nan 8.150 nan 0.000 0.443 171 K N -0.020 120.380 120.400 0.001 0.000 2.026 171 K HA -0.033 4.286 4.320 -0.002 0.000 0.208 171 K C 1.953 178.566 176.600 0.020 0.000 1.048 171 K CA 1.959 58.257 56.287 0.018 0.000 0.929 171 K CB -0.480 32.035 32.500 0.025 0.000 0.713 171 K HN 0.487 nan 8.250 nan 0.000 0.439 172 M N 0.259 119.864 119.600 0.008 0.000 2.108 172 M HA -0.189 4.290 4.480 -0.002 0.000 0.261 172 M C 2.241 178.570 176.300 0.048 0.000 1.066 172 M CA 1.955 57.266 55.300 0.018 0.000 1.107 172 M CB -0.406 32.196 32.600 0.004 0.000 1.356 172 M HN 0.330 nan 8.290 nan 0.000 0.406 173 E N 0.519 120.764 120.200 0.075 0.000 2.051 173 E HA -0.199 4.150 4.350 -0.002 0.000 0.192 173 E C 1.967 178.615 176.600 0.080 0.000 0.991 173 E CA 1.403 57.868 56.400 0.110 0.000 0.799 173 E CB 0.023 29.833 29.700 0.184 0.000 0.748 173 E HN 0.464 nan 8.360 nan 0.000 0.449 174 A N 0.620 123.475 122.820 0.059 0.000 1.865 174 A HA -0.163 4.155 4.320 -0.002 0.000 0.217 174 A C 2.447 180.057 177.584 0.044 0.000 1.191 174 A CA 1.722 53.779 52.037 0.032 0.000 0.623 174 A CB -0.887 18.120 19.000 0.012 0.000 0.826 174 A HN 0.235 nan 8.150 nan 0.000 0.444 175 V N -0.057 119.883 119.914 0.043 0.000 2.332 175 V HA -0.270 3.848 4.120 -0.002 0.000 0.248 175 V C 3.025 179.156 176.094 0.061 0.000 1.055 175 V CA 2.020 64.348 62.300 0.046 0.000 1.038 175 V CB -1.295 30.546 31.823 0.031 0.000 0.651 175 V HN 0.627 nan 8.190 nan 0.000 0.450 176 A N -0.160 122.696 122.820 0.062 0.000 2.019 176 A HA -0.001 4.317 4.320 -0.002 0.000 0.219 176 A C 2.229 179.868 177.584 0.092 0.000 1.164 176 A CA 1.721 53.798 52.037 0.067 0.000 0.644 176 A CB -0.522 18.517 19.000 0.064 0.000 0.805 176 A HN 0.600 nan 8.150 nan 0.000 0.449 177 A N -1.980 120.907 122.820 0.112 0.000 2.238 177 A HA 0.417 4.735 4.320 -0.002 0.000 0.208 177 A C 1.731 179.476 177.584 0.267 0.000 1.177 177 A CA 1.188 53.329 52.037 0.173 0.000 0.804 177 A CB -0.767 18.325 19.000 0.153 0.000 0.823 177 A HN 1.824 nan 8.150 nan 0.000 0.482 178 G N -2.355 106.563 108.800 0.197 0.000 2.157 178 G HA2 0.126 4.084 3.960 -0.002 0.000 0.239 178 G HA3 0.126 4.084 3.960 -0.002 0.000 0.239 178 G C 0.396 175.441 174.900 0.242 0.000 0.982 178 G CA 0.300 45.544 45.100 0.240 0.000 0.650 178 G HN 1.493 nan 8.290 nan 0.000 0.527 179 A N -0.402 122.490 122.820 0.120 0.000 2.248 179 A HA 0.720 5.038 4.320 -0.002 0.000 0.316 179 A C 1.015 178.616 177.584 0.028 0.000 1.101 179 A CA 0.459 52.506 52.037 0.016 0.000 0.875 179 A CB 0.657 19.587 19.000 -0.116 0.000 1.207 179 A HN 0.045 nan 8.150 nan 0.000 0.504 180 D N -0.880 119.528 120.400 0.013 0.000 2.240 180 D HA 0.128 4.767 4.640 -0.002 0.000 0.206 180 D C 0.173 176.486 176.300 0.021 0.000 0.963 180 D CA 1.149 55.163 54.000 0.025 0.000 0.863 180 D CB 0.531 41.350 40.800 0.031 0.000 0.973 180 D HN 0.576 nan 8.370 nan 0.000 0.501 181 E N -0.594 119.610 120.200 0.006 0.000 2.430 181 E HA 0.567 4.916 4.350 -0.002 0.000 0.279 181 E C -1.804 174.794 176.600 -0.004 0.000 1.003 181 E CA -0.879 55.529 56.400 0.014 0.000 0.801 181 E CB 1.826 31.544 29.700 0.030 0.000 1.313 181 E HN -0.071 nan 8.360 nan 0.000 0.459 182 A N 1.761 124.586 122.820 0.007 0.000 2.312 182 A HA 0.696 5.015 4.320 -0.002 0.000 0.326 182 A C -1.355 176.226 177.584 -0.005 0.000 1.172 182 A CA -0.612 51.425 52.037 -0.001 0.000 0.821 182 A CB 0.706 19.717 19.000 0.019 0.000 1.166 182 A HN 0.470 nan 8.150 nan 0.000 0.493 183 L N 3.043 124.255 121.223 -0.019 0.000 2.298 183 L HA 0.685 5.023 4.340 -0.002 0.000 0.284 183 L C -1.342 175.511 176.870 -0.028 0.000 1.013 183 L CA -0.507 54.318 54.840 -0.026 0.000 0.824 183 L CB 0.649 42.686 42.059 -0.038 0.000 1.221 183 L HN 0.515 nan 8.230 nan 0.000 0.418 184 L N 5.521 126.723 121.223 -0.035 0.000 2.322 184 L HA 0.557 4.895 4.340 -0.002 0.000 0.279 184 L C -0.153 176.687 176.870 -0.050 0.000 1.036 184 L CA -0.120 54.695 54.840 -0.041 0.000 0.807 184 L CB 1.524 43.542 42.059 -0.069 0.000 1.226 184 L HN 0.524 nan 8.230 nan 0.000 0.433 185 L N 1.020 122.216 121.223 -0.045 0.000 2.352 185 L HA 0.505 4.843 4.340 -0.002 0.000 0.269 185 L C -0.375 176.478 176.870 -0.028 0.000 1.034 185 L CA -1.121 53.696 54.840 -0.040 0.000 0.806 185 L CB 1.523 43.549 42.059 -0.055 0.000 1.244 185 L HN 0.641 nan 8.230 nan 0.000 0.447 186 D N -0.757 119.646 120.400 0.005 0.000 2.411 186 D HA 0.028 4.666 4.640 -0.002 0.000 0.251 186 D C 0.600 176.914 176.300 0.022 0.000 1.201 186 D CA -0.530 53.480 54.000 0.016 0.000 0.996 186 D CB 0.697 41.528 40.800 0.051 0.000 1.101 186 D HN 0.459 nan 8.370 nan 0.000 0.504 187 E N -0.865 119.354 120.200 0.031 0.000 2.267 187 E HA -0.182 4.167 4.350 -0.002 0.000 0.197 187 E C 1.083 177.698 176.600 0.025 0.000 0.998 187 E CA 1.160 57.575 56.400 0.025 0.000 0.830 187 E CB -0.050 29.673 29.700 0.038 0.000 0.751 187 E HN 0.475 nan 8.360 nan 0.000 0.491 188 E N -1.658 118.579 120.200 0.061 0.000 2.481 188 E HA 0.190 4.538 4.350 -0.002 0.000 0.195 188 E C 1.177 177.772 176.600 -0.008 0.000 1.047 188 E CA 0.720 57.168 56.400 0.079 0.000 0.867 188 E CB 0.351 30.171 29.700 0.199 0.000 0.858 188 E HN 0.316 nan 8.360 nan 0.000 0.513 189 G N -0.862 107.915 108.800 -0.039 0.000 2.179 189 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.220 189 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.220 189 G C -0.172 174.579 174.900 -0.249 0.000 0.990 189 G CA -0.283 44.717 45.100 -0.168 0.000 0.646 189 G HN 0.220 nan 8.290 nan 0.000 0.517 190 Y N 0.204 120.463 120.300 -0.069 0.000 2.316 190 Y HA 0.517 5.066 4.550 -0.002 0.000 0.324 190 Y C 1.303 177.149 175.900 -0.089 0.000 1.267 190 Y CA -0.616 57.434 58.100 -0.083 0.000 1.311 190 Y CB 1.133 39.554 38.460 -0.065 0.000 1.267 190 Y HN 0.045 nan 8.280 nan 0.000 0.516 191 V N 2.609 122.561 119.914 0.062 0.000 2.655 191 V HA 0.137 4.256 4.120 -0.002 0.000 0.300 191 V C 0.523 176.620 176.094 0.006 0.000 1.044 191 V CA 0.782 63.075 62.300 -0.013 0.000 1.095 191 V CB 0.414 32.203 31.823 -0.057 0.000 0.952 191 V HN 1.044 nan 8.190 nan 0.000 0.485 192 A N 4.418 127.225 122.820 -0.022 0.000 2.283 192 A HA 0.547 4.865 4.320 -0.002 0.000 0.225 192 A C 0.517 178.077 177.584 -0.039 0.000 2.109 192 A CA 0.628 52.647 52.037 -0.030 0.000 0.889 192 A CB 0.288 19.257 19.000 -0.052 0.000 1.437 192 A HN 0.895 nan 8.150 nan 0.000 0.595 193 E N -2.260 117.912 120.200 -0.046 0.000 2.442 193 E HA 0.502 4.851 4.350 -0.002 0.000 0.278 193 E C -0.039 176.547 176.600 -0.023 0.000 1.082 193 E CA -0.593 55.790 56.400 -0.029 0.000 0.861 193 E CB 0.417 30.107 29.700 -0.017 0.000 1.462 193 E HN 0.540 nan 8.360 nan 0.000 0.458 194 G N -0.195 108.609 108.800 0.007 0.000 2.580 194 G HA2 0.266 4.225 3.960 -0.002 0.000 0.278 194 G HA3 0.266 4.225 3.960 -0.002 0.000 0.278 194 G C 0.849 175.761 174.900 0.020 0.000 1.212 194 G CA 0.006 45.118 45.100 0.019 0.000 0.939 194 G HN 0.600 nan 8.290 nan 0.000 0.513 195 S N -1.487 114.232 115.700 0.032 0.000 2.442 195 S HA 0.091 4.560 4.470 -0.002 0.000 0.236 195 S C 1.519 176.190 174.600 0.117 0.000 1.007 195 S CA 1.280 59.505 58.200 0.041 0.000 0.965 195 S CB 0.059 63.291 63.200 0.054 0.000 0.773 195 S HN 1.415 nan 8.310 nan 0.000 0.504 196 G N -0.181 108.705 108.800 0.143 0.000 5.129 196 G HA2 0.530 4.489 3.960 -0.002 0.000 0.253 196 G HA3 0.530 4.489 3.960 -0.002 0.000 0.253 196 G C -0.674 174.333 174.900 0.180 0.000 0.912 196 G CA -0.538 44.694 45.100 0.220 0.000 0.729 196 G HN 0.408 nan 8.290 nan 0.000 0.373 197 E N -0.349 119.929 120.200 0.130 0.000 2.429 197 E HA 0.449 4.797 4.350 -0.002 0.000 0.276 197 E C -0.866 175.791 176.600 0.094 0.000 0.953 197 E CA -0.757 55.715 56.400 0.121 0.000 0.787 197 E CB 1.324 31.092 29.700 0.114 0.000 1.307 197 E HN 0.179 nan 8.360 nan 0.000 0.458 198 N N 0.012 118.776 118.700 0.107 0.000 2.472 198 N HA 0.626 5.365 4.740 -0.002 0.000 0.289 198 N C -1.055 174.499 175.510 0.073 0.000 1.156 198 N CA -0.595 52.493 53.050 0.063 0.000 0.940 198 N CB 1.076 39.602 38.487 0.065 0.000 1.200 198 N HN 0.180 nan 8.380 nan 0.000 0.511 199 L N 1.364 122.562 121.223 -0.041 0.000 2.342 199 L HA 0.630 4.969 4.340 -0.002 0.000 0.271 199 L C -1.251 175.496 176.870 -0.205 0.000 1.008 199 L CA -0.623 54.197 54.840 -0.034 0.000 0.818 199 L CB 1.050 43.091 42.059 -0.029 0.000 1.296 199 L HN 0.434 nan 8.230 nan 0.000 0.427 200 F N 1.254 120.950 119.950 -0.422 0.000 2.626 200 F HA 0.660 5.185 4.527 -0.003 0.000 0.311 200 F C -0.412 175.163 175.800 -0.375 0.000 1.088 200 F CA -0.820 56.838 58.000 -0.569 0.000 0.949 200 F CB 2.011 40.223 39.000 -1.313 0.000 1.322 200 F HN 0.263 nan 8.300 nan 0.000 0.461 201 F N -0.820 119.098 119.950 -0.053 0.000 2.626 201 F HA 0.928 5.453 4.527 -0.003 0.000 0.311 201 F C -2.023 173.899 175.800 0.202 0.000 1.088 201 F CA -1.425 56.595 58.000 0.034 0.000 0.949 201 F CB 1.200 40.205 39.000 0.008 0.000 1.322 201 F HN 0.213 nan 8.300 nan 0.000 0.461 202 V N 2.005 122.134 119.914 0.358 0.000 2.656 202 V HA 0.799 4.918 4.120 -0.002 0.000 0.307 202 V C -1.041 175.265 176.094 0.353 0.000 1.051 202 V CA -0.653 61.813 62.300 0.278 0.000 0.893 202 V CB 1.755 33.700 31.823 0.203 0.000 0.999 202 V HN 0.868 nan 8.190 nan 0.000 0.426 203 R N 2.603 123.324 120.500 0.368 0.000 2.510 203 R HA 0.488 4.826 4.340 -0.002 0.000 0.287 203 R C -0.909 175.552 176.300 0.268 0.000 1.084 203 R CA -0.297 55.995 56.100 0.320 0.000 0.934 203 R CB 0.781 31.285 30.300 0.340 0.000 1.201 203 R HN 0.741 nan 8.270 nan 0.000 0.431 204 D N 3.826 124.338 120.400 0.185 0.000 2.689 204 D HA -0.185 4.454 4.640 -0.002 0.000 0.237 204 D C 0.721 177.106 176.300 0.142 0.000 1.148 204 D CA 2.149 56.237 54.000 0.148 0.000 0.656 204 D CB -1.035 39.849 40.800 0.139 0.000 1.050 204 D HN 1.059 nan 8.370 nan 0.000 0.426 205 G N -2.351 106.536 108.800 0.146 0.000 2.212 205 G HA2 -0.338 3.621 3.960 -0.002 0.000 0.266 205 G HA3 -0.338 3.621 3.960 -0.002 0.000 0.266 205 G C 0.433 175.420 174.900 0.145 0.000 0.978 205 G CA 0.408 45.603 45.100 0.159 0.000 0.632 205 G HN 0.638 nan 8.290 nan 0.000 0.537 206 V N 1.736 121.702 119.914 0.087 0.000 2.481 206 V HA 0.592 4.711 4.120 -0.002 0.000 0.286 206 V C 0.762 176.729 176.094 -0.212 0.000 1.042 206 V CA -0.689 61.560 62.300 -0.085 0.000 0.928 206 V CB 1.780 33.483 31.823 -0.201 0.000 0.986 206 V HN 0.293 nan 8.190 nan 0.000 0.462 207 I N 4.677 125.076 120.570 -0.284 0.000 2.331 207 I HA 0.340 4.509 4.170 -0.002 0.000 0.292 207 I C -1.059 174.769 176.117 -0.481 0.000 0.998 207 I CA -0.320 60.844 61.300 -0.226 0.000 1.267 207 I CB 0.843 38.803 38.000 -0.067 0.000 1.386 207 I HN 0.527 nan 8.210 nan 0.000 0.476 208 Y N 5.322 125.401 120.300 -0.369 0.000 2.356 208 Y HA 0.571 5.120 4.550 -0.003 0.000 0.334 208 Y C 0.483 176.115 175.900 -0.446 0.000 0.958 208 Y CA -0.709 57.050 58.100 -0.568 0.000 1.196 208 Y CB 1.431 39.086 38.460 -1.342 0.000 1.137 208 Y HN 0.579 nan 8.280 nan 0.000 0.485 209 A N 3.825 126.502 122.820 -0.237 0.000 2.310 209 A HA 0.630 4.948 4.320 -0.002 0.000 0.299 209 A C -0.785 176.552 177.584 -0.413 0.000 1.147 209 A CA -0.568 51.120 52.037 -0.582 0.000 0.818 209 A CB 0.439 19.127 19.000 -0.520 0.000 1.096 209 A HN 0.668 nan 8.150 nan 0.000 0.495 210 L N 1.967 122.911 121.223 -0.465 0.000 2.397 210 L HA 0.205 4.543 4.340 -0.002 0.000 0.271 210 L C 0.956 177.660 176.870 -0.278 0.000 1.148 210 L CA 0.450 55.143 54.840 -0.246 0.000 0.825 210 L CB 0.428 42.382 42.059 -0.176 0.000 1.117 210 L HN 0.798 nan 8.230 nan 0.000 0.456 211 E N 2.043 122.124 120.200 -0.197 0.000 2.442 211 E HA -0.067 4.282 4.350 -0.002 0.000 0.260 211 E C 0.583 177.071 176.600 -0.187 0.000 1.148 211 E CA -0.225 56.042 56.400 -0.220 0.000 0.976 211 E CB 0.364 29.984 29.700 -0.133 0.000 0.967 211 E HN 0.468 nan 8.360 nan 0.000 0.454 212 H N 0.991 120.020 119.070 -0.070 0.000 2.421 212 H HA -0.142 4.413 4.556 -0.002 0.000 0.298 212 H C 1.812 177.117 175.328 -0.038 0.000 1.087 212 H CA 1.175 57.192 56.048 -0.052 0.000 1.330 212 H CB -0.291 29.450 29.762 -0.035 0.000 1.388 212 H HN 0.720 nan 8.280 nan 0.000 0.526 213 S N 0.290 116.032 115.700 0.072 0.000 4.105 213 S HA -0.325 4.143 4.470 -0.002 0.000 0.539 213 S C 1.740 176.373 174.600 0.056 0.000 1.658 213 S CA 2.890 61.108 58.200 0.030 0.000 3.958 213 S CB -1.469 61.725 63.200 -0.010 0.000 1.434 213 S HN 0.405 nan 8.310 nan 0.000 0.537 214 V N 0.039 119.984 119.914 0.053 0.000 3.514 214 V HA 0.422 4.541 4.120 -0.002 0.000 0.301 214 V C 0.580 176.737 176.094 0.105 0.000 1.346 214 V CA 0.012 62.366 62.300 0.090 0.000 1.156 214 V CB -1.296 30.590 31.823 0.105 0.000 1.029 214 V HN 0.593 nan 8.190 nan 0.000 0.428 215 N N 0.848 119.593 118.700 0.075 0.000 2.413 215 N HA 0.464 5.202 4.740 -0.002 0.000 0.266 215 N C -0.596 174.963 175.510 0.080 0.000 1.238 215 N CA -0.553 52.540 53.050 0.072 0.000 0.972 215 N CB 1.655 40.172 38.487 0.050 0.000 1.210 215 N HN 0.281 nan 8.380 nan 0.000 0.547 216 L N 0.598 121.868 121.223 0.078 0.000 2.395 216 L HA 0.124 4.463 4.340 -0.002 0.000 0.269 216 L C 0.250 177.150 176.870 0.050 0.000 1.133 216 L CA 0.097 54.972 54.840 0.059 0.000 0.812 216 L CB 0.326 42.438 42.059 0.089 0.000 1.125 216 L HN 0.411 nan 8.230 nan 0.000 0.452 217 E N 4.002 124.182 120.200 -0.034 0.000 1.861 217 E HA 0.216 4.564 4.350 -0.002 0.000 0.263 217 E C 0.121 176.734 176.600 0.021 0.000 1.137 217 E CA -0.259 56.106 56.400 -0.059 0.000 0.944 217 E CB 0.163 29.666 29.700 -0.329 0.000 1.092 217 E HN 0.845 nan 8.360 nan 0.000 0.420 218 G N 2.242 111.093 108.800 0.085 0.000 2.353 218 G HA2 -0.044 3.914 3.960 -0.002 0.000 0.239 218 G HA3 -0.044 3.914 3.960 -0.002 0.000 0.239 218 G C 0.812 175.741 174.900 0.048 0.000 1.295 218 G CA -0.283 44.864 45.100 0.078 0.000 0.884 218 G HN 0.559 nan 8.290 nan 0.000 0.537 219 I N 1.475 122.041 120.570 -0.006 0.000 2.500 219 I HA -0.114 4.055 4.170 -0.002 0.000 0.252 219 I C 2.722 178.846 176.117 0.011 0.000 1.142 219 I CA 1.023 62.278 61.300 -0.075 0.000 1.451 219 I CB -0.045 37.796 38.000 -0.265 0.000 1.093 219 I HN 0.496 nan 8.210 nan 0.000 0.430 220 T N 0.358 114.961 114.554 0.081 0.000 2.857 220 T HA -0.159 4.189 4.350 -0.002 0.000 0.266 220 T C 1.985 176.720 174.700 0.058 0.000 1.048 220 T CA 0.995 63.124 62.100 0.050 0.000 1.139 220 T CB -0.241 68.615 68.868 -0.021 0.000 0.874 220 T HN 0.324 nan 8.240 nan 0.000 0.455 221 R N 1.272 121.866 120.500 0.157 0.000 2.073 221 R HA -0.166 4.173 4.340 -0.002 0.000 0.234 221 R C 2.154 178.619 176.300 0.274 0.000 1.134 221 R CA 2.158 58.456 56.100 0.330 0.000 0.952 221 R CB -0.461 29.979 30.300 0.233 0.000 0.850 221 R HN 0.385 nan 8.270 nan 0.000 0.433 222 D N -0.361 120.130 120.400 0.151 0.000 2.117 222 D HA -0.118 4.521 4.640 -0.002 0.000 0.197 222 D C 1.647 178.024 176.300 0.130 0.000 0.987 222 D CA 1.923 55.999 54.000 0.127 0.000 0.829 222 D CB 0.082 40.919 40.800 0.062 0.000 0.961 222 D HN 0.210 nan 8.370 nan 0.000 0.460 223 S N -0.743 114.974 115.700 0.028 0.000 2.368 223 S HA -0.127 4.342 4.470 -0.002 0.000 0.225 223 S C 2.203 176.895 174.600 0.154 0.000 1.030 223 S CA 0.951 59.139 58.200 -0.020 0.000 0.999 223 S CB -0.321 62.755 63.200 -0.206 0.000 0.844 223 S HN 0.182 nan 8.310 nan 0.000 0.459 224 V N 2.136 122.101 119.914 0.084 0.000 2.407 224 V HA -0.157 3.962 4.120 -0.002 0.000 0.248 224 V C 2.046 178.199 176.094 0.100 0.000 1.055 224 V CA 1.415 63.725 62.300 0.016 0.000 1.049 224 V CB -0.733 30.988 31.823 -0.170 0.000 0.662 224 V HN 0.445 nan 8.190 nan 0.000 0.455 225 I N -0.291 120.404 120.570 0.209 0.000 2.252 225 I HA -0.229 3.940 4.170 -0.002 0.000 0.245 225 I C 2.758 178.994 176.117 0.198 0.000 1.102 225 I CA 1.674 63.109 61.300 0.226 0.000 1.385 225 I CB -0.387 37.751 38.000 0.230 0.000 1.064 225 I HN 0.226 nan 8.210 nan 0.000 0.414 226 R N 1.439 122.082 120.500 0.237 0.000 2.075 226 R HA -0.150 4.189 4.340 -0.002 0.000 0.232 226 R C 2.330 178.785 176.300 0.259 0.000 1.126 226 R CA 1.484 57.742 56.100 0.264 0.000 0.963 226 R CB -0.204 30.323 30.300 0.378 0.000 0.858 226 R HN 0.276 nan 8.270 nan 0.000 0.435 227 I N 0.921 121.637 120.570 0.244 0.000 2.163 227 I HA -0.274 3.895 4.170 -0.002 0.000 0.243 227 I C 2.610 178.853 176.117 0.210 0.000 1.085 227 I CA 1.378 62.812 61.300 0.224 0.000 1.347 227 I CB -0.429 37.653 38.000 0.137 0.000 1.044 227 I HN 0.323 nan 8.210 nan 0.000 0.408 228 A N 0.832 123.756 122.820 0.173 0.000 1.883 228 A HA -0.260 4.058 4.320 -0.002 0.000 0.217 228 A C 2.312 180.047 177.584 0.251 0.000 1.186 228 A CA 1.884 54.054 52.037 0.222 0.000 0.624 228 A CB -0.533 18.545 19.000 0.130 0.000 0.822 228 A HN 0.339 nan 8.150 nan 0.000 0.444 229 K N -0.573 119.936 120.400 0.182 0.000 2.097 229 K HA -0.136 4.183 4.320 -0.002 0.000 0.206 229 K C 1.452 178.116 176.600 0.108 0.000 1.049 229 K CA 1.358 57.725 56.287 0.134 0.000 0.933 229 K CB -0.229 32.339 32.500 0.114 0.000 0.717 229 K HN 0.408 nan 8.250 nan 0.000 0.442 230 D N 0.974 121.456 120.400 0.138 0.000 2.178 230 D HA -0.110 4.529 4.640 -0.002 0.000 0.202 230 D C 1.644 177.982 176.300 0.064 0.000 0.974 230 D CA 0.933 54.995 54.000 0.103 0.000 0.841 230 D CB 0.003 40.900 40.800 0.161 0.000 0.953 230 D HN 0.163 nan 8.370 nan 0.000 0.478 231 L N -0.568 120.711 121.223 0.092 0.000 2.610 231 L HA 0.113 4.452 4.340 -0.002 0.000 0.232 231 L C 1.527 178.302 176.870 -0.158 0.000 1.149 231 L CA 0.544 55.390 54.840 0.010 0.000 0.872 231 L CB -0.138 41.992 42.059 0.120 0.000 0.992 231 L HN 0.146 nan 8.230 nan 0.000 0.447 232 G N -1.513 107.231 108.800 -0.094 0.000 2.175 232 G HA2 -0.295 3.663 3.960 -0.002 0.000 0.244 232 G HA3 -0.295 3.663 3.960 -0.002 0.000 0.244 232 G C -0.032 174.765 174.900 -0.172 0.000 0.982 232 G CA -0.504 44.508 45.100 -0.146 0.000 0.641 232 G HN 0.209 nan 8.290 nan 0.000 0.527 233 Y N 1.243 121.546 120.300 0.004 0.000 2.346 233 Y HA 0.465 5.013 4.550 -0.003 0.000 0.330 233 Y C 0.943 176.830 175.900 -0.021 0.000 1.178 233 Y CA -0.220 57.876 58.100 -0.008 0.000 1.331 233 Y CB 0.750 39.208 38.460 -0.005 0.000 1.253 233 Y HN 0.309 nan 8.280 nan 0.000 0.529 234 E N 2.256 122.532 120.200 0.127 0.000 2.313 234 E HA 0.439 4.788 4.350 -0.002 0.000 0.276 234 E C -1.581 175.001 176.600 -0.030 0.000 1.031 234 E CA -0.393 56.021 56.400 0.024 0.000 0.857 234 E CB 0.728 30.418 29.700 -0.017 0.000 1.040 234 E HN 0.430 nan 8.360 nan 0.000 0.408 235 V N 4.847 124.732 119.914 -0.048 0.000 2.487 235 V HA 0.276 4.395 4.120 -0.002 0.000 0.298 235 V C -0.442 175.564 176.094 -0.147 0.000 1.028 235 V CA -0.730 61.513 62.300 -0.096 0.000 0.860 235 V CB 1.636 33.465 31.823 0.011 0.000 0.991 235 V HN 0.755 nan 8.190 nan 0.000 0.427 236 Q N 2.526 122.163 119.800 -0.271 0.000 2.365 236 Q HA 0.681 5.019 4.340 -0.002 0.000 0.269 236 Q C -1.378 174.549 176.000 -0.121 0.000 1.061 236 Q CA -0.776 54.914 55.803 -0.187 0.000 0.816 236 Q CB 3.087 31.692 28.738 -0.222 0.000 1.325 236 Q HN 0.572 nan 8.270 nan 0.000 0.446 237 V N 3.273 123.145 119.914 -0.070 0.000 2.347 237 V HA 0.490 4.609 4.120 -0.002 0.000 0.280 237 V C -0.070 176.002 176.094 -0.037 0.000 1.021 237 V CA -0.445 61.799 62.300 -0.092 0.000 0.847 237 V CB 1.032 32.779 31.823 -0.126 0.000 0.990 237 V HN 0.607 nan 8.190 nan 0.000 0.444 238 V N 2.747 122.653 119.914 -0.013 0.000 3.167 238 V HA 0.725 4.844 4.120 -0.002 0.000 0.310 238 V C -0.526 175.564 176.094 -0.006 0.000 1.207 238 V CA -1.354 60.960 62.300 0.024 0.000 1.059 238 V CB 2.152 34.049 31.823 0.124 0.000 1.079 238 V HN 0.774 nan 8.190 nan 0.000 0.446 239 R N 0.828 121.312 120.500 -0.028 0.000 2.428 239 R HA 0.848 5.187 4.340 -0.002 0.000 0.294 239 R C -0.426 175.896 176.300 0.037 0.000 1.000 239 R CA 0.321 56.374 56.100 -0.080 0.000 0.960 239 R CB 1.447 31.586 30.300 -0.267 0.000 1.076 239 R HN 1.398 nan 8.270 nan 0.000 0.475 240 A N 1.945 124.818 122.820 0.088 0.000 2.498 240 A HA 0.512 4.831 4.320 -0.002 0.000 0.298 240 A C -0.709 176.917 177.584 0.070 0.000 1.075 240 A CA -0.733 51.344 52.037 0.068 0.000 0.714 240 A CB 1.695 20.712 19.000 0.029 0.000 1.299 240 A HN 0.822 nan 8.150 nan 0.000 0.407 241 T N -1.512 112.991 114.554 -0.085 0.000 2.944 241 T HA 0.449 4.797 4.350 -0.002 0.000 0.284 241 T C 1.251 175.744 174.700 -0.344 0.000 1.010 241 T CA -0.177 61.803 62.100 -0.201 0.000 1.025 241 T CB 1.179 69.904 68.868 -0.238 0.000 1.079 241 T HN 0.880 nan 8.240 nan 0.000 0.516 242 R N 1.035 121.292 120.500 -0.404 0.000 2.096 242 R HA -0.121 4.218 4.340 -0.002 0.000 0.235 242 R C 1.120 176.816 176.300 -1.007 0.000 1.127 242 R CA 1.961 57.681 56.100 -0.632 0.000 0.968 242 R CB -0.967 28.988 30.300 -0.574 0.000 0.861 242 R HN 0.765 nan 8.270 nan 0.000 0.440 243 D N 0.565 120.540 120.400 -0.709 0.000 2.348 243 D HA -0.143 4.496 4.640 -0.002 0.000 0.216 243 D C 1.606 177.699 176.300 -0.345 0.000 0.970 243 D CA 0.688 54.383 54.000 -0.507 0.000 0.889 243 D CB -0.251 40.452 40.800 -0.162 0.000 0.912 243 D HN 0.459 nan 8.370 nan 0.000 0.524 244 Q N -0.102 119.442 119.800 -0.426 0.000 2.172 244 Q HA 0.079 4.417 4.340 -0.002 0.000 0.200 244 Q C 2.367 178.001 176.000 -0.611 0.000 0.964 244 Q CA 0.534 56.047 55.803 -0.484 0.000 0.855 244 Q CB 0.117 28.500 28.738 -0.591 0.000 0.918 244 Q HN 0.348 nan 8.270 nan 0.000 0.444 245 L N -0.818 120.045 121.223 -0.600 0.000 2.072 245 L HA -0.146 4.193 4.340 -0.002 0.000 0.205 245 L C 2.039 178.841 176.870 -0.113 0.000 1.079 245 L CA 1.150 55.740 54.840 -0.417 0.000 0.752 245 L CB -0.612 41.253 42.059 -0.324 0.000 0.906 245 L HN 0.323 nan 8.230 nan 0.000 0.436 246 Y N -0.217 119.990 120.300 -0.156 0.000 2.207 246 Y HA -0.242 4.306 4.550 -0.002 0.000 0.287 246 Y C 2.477 178.336 175.900 -0.068 0.000 1.156 246 Y CA 0.636 58.682 58.100 -0.090 0.000 1.182 246 Y CB -0.197 38.215 38.460 -0.081 0.000 0.979 246 Y HN 0.198 nan 8.280 nan 0.000 0.521 247 M N -0.251 119.390 119.600 0.068 0.000 2.495 247 M HA 0.170 4.649 4.480 -0.002 0.000 0.237 247 M C 0.770 177.086 176.300 0.028 0.000 1.131 247 M CA -0.262 55.058 55.300 0.033 0.000 1.032 247 M CB 0.173 32.772 32.600 -0.002 0.000 1.513 247 M HN 0.053 nan 8.290 nan 0.000 0.488 248 A N 0.623 123.456 122.820 0.021 0.000 2.332 248 A HA 0.136 4.455 4.320 -0.002 0.000 0.258 248 A C 0.566 178.231 177.584 0.136 0.000 1.087 248 A CA -0.444 51.658 52.037 0.109 0.000 0.802 248 A CB 0.401 19.501 19.000 0.166 0.000 1.042 248 A HN 0.234 nan 8.150 nan 0.000 0.489 249 D N 0.071 120.574 120.400 0.172 0.000 2.183 249 D HA 0.031 4.670 4.640 -0.002 0.000 0.203 249 D C 0.277 176.667 176.300 0.149 0.000 0.969 249 D CA 1.368 55.453 54.000 0.142 0.000 0.842 249 D CB 0.306 41.191 40.800 0.142 0.000 0.957 249 D HN 0.712 nan 8.370 nan 0.000 0.484 250 E N -0.781 119.537 120.200 0.197 0.000 2.413 250 E HA 0.540 4.889 4.350 -0.002 0.000 0.277 250 E C -1.338 175.422 176.600 0.266 0.000 0.958 250 E CA -0.707 55.820 56.400 0.211 0.000 0.779 250 E CB 3.379 33.207 29.700 0.214 0.000 1.278 250 E HN -0.295 nan 8.360 nan 0.000 0.456 251 V N 1.936 122.004 119.914 0.256 0.000 2.851 251 V HA 0.607 4.726 4.120 -0.002 0.000 0.307 251 V C -1.363 174.898 176.094 0.278 0.000 1.129 251 V CA -0.874 61.554 62.300 0.213 0.000 0.932 251 V CB 1.419 33.325 31.823 0.138 0.000 1.024 251 V HN 0.668 nan 8.190 nan 0.000 0.426 252 F N 1.703 121.724 119.950 0.119 0.000 2.668 252 F HA 0.883 5.409 4.527 -0.003 0.000 0.309 252 F C -1.033 174.834 175.800 0.110 0.000 1.117 252 F CA -1.253 56.782 58.000 0.058 0.000 0.951 252 F CB 1.798 40.773 39.000 -0.040 0.000 1.323 252 F HN 0.349 nan 8.300 nan 0.000 0.451 253 M N 1.833 121.593 119.600 0.267 0.000 2.578 253 M HA 0.678 5.156 4.480 -0.002 0.000 0.321 253 M C -0.739 175.693 176.300 0.220 0.000 1.182 253 M CA -0.717 54.702 55.300 0.197 0.000 0.965 253 M CB 2.678 35.358 32.600 0.134 0.000 1.694 253 M HN 0.847 nan 8.290 nan 0.000 0.461 254 T N -1.091 113.583 114.554 0.200 0.000 2.900 254 T HA 0.947 5.296 4.350 -0.002 0.000 0.295 254 T C -0.424 174.333 174.700 0.096 0.000 1.044 254 T CA -0.796 61.369 62.100 0.108 0.000 0.995 254 T CB 2.119 71.081 68.868 0.158 0.000 1.072 254 T HN 1.012 nan 8.240 nan 0.000 0.473 255 G N 0.299 109.122 108.800 0.038 0.000 2.411 255 G HA2 0.440 4.398 3.960 -0.002 0.000 0.295 255 G HA3 0.440 4.398 3.960 -0.002 0.000 0.295 255 G C 0.268 175.222 174.900 0.090 0.000 1.542 255 G CA -0.227 44.932 45.100 0.098 0.000 0.814 255 G HN 0.617 nan 8.290 nan 0.000 0.557 256 T N 0.982 115.631 114.554 0.158 0.000 2.720 256 T HA -0.087 4.262 4.350 -0.002 0.000 0.268 256 T C 2.683 177.416 174.700 0.056 0.000 1.037 256 T CA 2.859 65.050 62.100 0.151 0.000 1.144 256 T CB -0.210 68.767 68.868 0.182 0.000 0.864 256 T HN 0.940 nan 8.240 nan 0.000 0.444 257 A N 0.850 123.736 122.820 0.110 0.000 1.935 257 A HA 0.470 4.788 4.320 -0.002 0.000 0.214 257 A C 2.451 180.144 177.584 0.182 0.000 1.178 257 A CA 1.236 53.329 52.037 0.092 0.000 0.640 257 A CB -0.694 18.467 19.000 0.268 0.000 0.825 257 A HN 0.474 nan 8.150 nan 0.000 0.447 258 A N -1.106 121.806 122.820 0.153 0.000 2.169 258 A HA 0.272 4.591 4.320 -0.002 0.000 0.212 258 A C 0.861 178.486 177.584 0.069 0.000 1.153 258 A CA 1.083 53.202 52.037 0.136 0.000 0.756 258 A CB -0.322 18.749 19.000 0.118 0.000 0.813 258 A HN 0.599 nan 8.150 nan 0.000 0.471 259 E N -2.159 118.047 120.200 0.009 0.000 3.304 259 E HA -0.247 4.102 4.350 -0.002 0.000 0.365 259 E C -0.506 175.939 176.600 -0.259 0.000 1.512 259 E CA 1.463 57.780 56.400 -0.138 0.000 1.642 259 E CB -1.119 28.610 29.700 0.048 0.000 1.738 259 E HN 0.249 nan 8.360 nan 0.000 0.483 260 V N 1.425 121.192 119.914 -0.245 0.000 2.313 260 V HA 0.333 4.452 4.120 -0.002 0.000 0.278 260 V C -0.343 175.709 176.094 -0.069 0.000 1.017 260 V CA -0.196 61.983 62.300 -0.202 0.000 0.823 260 V CB 1.487 33.109 31.823 -0.335 0.000 1.010 260 V HN 0.429 nan 8.190 nan 0.000 0.443 261 T N 7.997 122.569 114.554 0.030 0.000 2.772 261 T HA 0.411 4.760 4.350 -0.002 0.000 0.288 261 T C -2.631 172.138 174.700 0.116 0.000 0.994 261 T CA -1.272 60.867 62.100 0.065 0.000 0.951 261 T CB 1.788 70.707 68.868 0.085 0.000 0.933 261 T HN 0.337 nan 8.240 nan 0.000 0.447 262 P HA 0.248 nan 4.420 nan 0.000 0.271 262 P C -0.907 176.465 177.300 0.120 0.000 1.218 262 P CA -0.429 62.740 63.100 0.115 0.000 0.780 262 P CB 0.612 32.342 31.700 0.050 0.000 0.901 263 V N 2.527 122.527 119.914 0.142 0.000 2.378 263 V HA 0.135 4.254 4.120 -0.002 0.000 0.288 263 V C 1.158 177.307 176.094 0.093 0.000 1.016 263 V CA 0.131 62.493 62.300 0.104 0.000 0.840 263 V CB 1.080 32.963 31.823 0.100 0.000 0.994 263 V HN 0.667 nan 8.190 nan 0.000 0.431 264 S N 3.645 119.389 115.700 0.073 0.000 2.503 264 S HA 0.344 4.813 4.470 -0.002 0.000 0.217 264 S C 0.333 174.970 174.600 0.062 0.000 0.999 264 S CA 0.011 58.253 58.200 0.069 0.000 0.914 264 S CB 0.328 63.567 63.200 0.064 0.000 0.782 264 S HN 0.632 nan 8.310 nan 0.000 0.520 265 M N 0.811 120.439 119.600 0.046 0.000 2.413 265 M HA 0.560 5.038 4.480 -0.002 0.000 0.287 265 M C -2.508 173.774 176.300 -0.029 0.000 1.186 265 M CA -0.687 54.628 55.300 0.025 0.000 0.927 265 M CB 1.988 34.620 32.600 0.054 0.000 1.715 265 M HN 0.131 nan 8.290 nan 0.000 0.478 266 I N 3.821 124.364 120.570 -0.044 0.000 2.534 266 I HA 0.314 4.482 4.170 -0.002 0.000 0.288 266 I C -0.777 175.245 176.117 -0.160 0.000 1.077 266 I CA -0.528 60.733 61.300 -0.065 0.000 1.051 266 I CB 2.065 40.128 38.000 0.106 0.000 1.234 266 I HN 0.775 nan 8.210 nan 0.000 0.425 267 D N 5.257 125.449 120.400 -0.346 0.000 2.708 267 D HA -0.241 4.398 4.640 -0.002 0.000 0.236 267 D C -0.004 176.083 176.300 -0.355 0.000 1.146 267 D CA 1.298 55.032 54.000 -0.443 0.000 0.662 267 D CB -0.874 39.835 40.800 -0.151 0.000 1.059 267 D HN 0.850 nan 8.370 nan 0.000 0.428 268 W N -2.152 119.115 121.300 -0.054 0.000 3.207 268 W HA -0.322 4.337 4.660 -0.002 0.000 0.291 268 W C 0.733 177.192 176.519 -0.101 0.000 1.105 268 W CA 0.083 57.390 57.345 -0.063 0.000 0.612 268 W CB -1.886 27.540 29.460 -0.057 0.000 2.140 268 W HN 0.122 nan 8.180 nan 0.000 1.420 269 R N 1.581 122.065 120.500 -0.026 0.000 2.265 269 R HA 0.274 4.613 4.340 -0.002 0.000 0.328 269 R C -1.965 174.314 176.300 -0.035 0.000 0.969 269 R CA -1.821 54.217 56.100 -0.103 0.000 0.832 269 R CB 0.719 30.790 30.300 -0.381 0.000 1.139 269 R HN -0.254 nan 8.270 nan 0.000 0.457 270 P HA 0.001 nan 4.420 nan 0.000 0.268 270 P C -0.355 176.968 177.300 0.038 0.000 1.205 270 P CA 0.013 63.134 63.100 0.036 0.000 0.771 270 P CB 0.831 32.556 31.700 0.041 0.000 0.858 271 I N 2.529 123.134 120.570 0.057 0.000 2.312 271 I HA 0.232 4.400 4.170 -0.002 0.000 0.291 271 I C 1.725 177.886 176.117 0.074 0.000 1.031 271 I CA 0.565 61.910 61.300 0.075 0.000 1.293 271 I CB -0.421 37.633 38.000 0.091 0.000 1.403 271 I HN 0.760 nan 8.210 nan 0.000 0.484 272 G N 7.909 116.753 108.800 0.072 0.000 2.622 272 G HA2 -0.393 3.565 3.960 -0.002 0.000 0.307 272 G HA3 -0.393 3.565 3.960 -0.002 0.000 0.307 272 G C 1.065 175.999 174.900 0.057 0.000 1.226 272 G CA 0.717 45.859 45.100 0.069 0.000 0.997 272 G HN 0.771 nan 8.290 nan 0.000 0.551 273 K N 1.737 122.171 120.400 0.057 0.000 2.360 273 K HA 0.275 4.593 4.320 -0.002 0.000 0.201 273 K C 1.863 178.490 176.600 0.046 0.000 1.046 273 K CA 1.627 57.943 56.287 0.048 0.000 0.945 273 K CB -0.305 32.223 32.500 0.046 0.000 0.750 273 K HN 2.448 nan 8.250 nan 0.000 0.464 274 G N 0.948 109.779 108.800 0.052 0.000 2.175 274 G HA2 -0.275 3.684 3.960 -0.002 0.000 0.244 274 G HA3 -0.275 3.684 3.960 -0.002 0.000 0.244 274 G C 0.218 175.150 174.900 0.053 0.000 0.982 274 G CA 0.505 45.636 45.100 0.052 0.000 0.641 274 G HN 0.710 nan 8.290 nan 0.000 0.527 275 T N -2.709 111.876 114.554 0.052 0.000 2.804 275 T HA 0.855 5.204 4.350 -0.002 0.000 0.290 275 T C 0.353 175.083 174.700 0.051 0.000 1.099 275 T CA 0.346 62.476 62.100 0.049 0.000 1.011 275 T CB 1.544 70.437 68.868 0.041 0.000 1.291 275 T HN 1.832 nan 8.240 nan 0.000 0.523 276 A N 0.266 123.113 122.820 0.045 0.000 2.546 276 A HA 0.556 4.875 4.320 -0.002 0.000 0.243 276 A C 0.928 178.532 177.584 0.034 0.000 1.063 276 A CA 0.215 52.276 52.037 0.039 0.000 0.757 276 A CB -0.880 18.134 19.000 0.024 0.000 0.991 276 A HN 1.299 nan 8.150 nan 0.000 0.503 277 G N 1.858 110.680 108.800 0.036 0.000 2.528 277 G HA2 0.512 4.470 3.960 -0.002 0.000 0.289 277 G HA3 0.512 4.470 3.960 -0.002 0.000 0.289 277 G C -1.081 173.820 174.900 0.001 0.000 1.192 277 G CA -0.897 44.223 45.100 0.033 0.000 0.921 277 G HN 0.494 nan 8.290 nan 0.000 0.512 278 P HA -0.123 nan 4.420 nan 0.000 0.215 278 P C 1.945 179.228 177.300 -0.030 0.000 1.153 278 P CA 0.866 63.971 63.100 0.008 0.000 0.853 278 P CB 0.144 31.869 31.700 0.042 0.000 0.788 279 V N 1.048 120.921 119.914 -0.068 0.000 2.307 279 V HA -0.210 3.908 4.120 -0.002 0.000 0.245 279 V C 2.944 178.829 176.094 -0.349 0.000 1.045 279 V CA 2.281 64.450 62.300 -0.218 0.000 1.024 279 V CB -1.770 29.867 31.823 -0.311 0.000 0.651 279 V HN 0.105 nan 8.190 nan 0.000 0.449 280 A N -0.221 122.385 122.820 -0.358 0.000 1.908 280 A HA -0.165 4.153 4.320 -0.002 0.000 0.218 280 A C 2.223 179.589 177.584 -0.364 0.000 1.181 280 A CA 1.817 53.508 52.037 -0.578 0.000 0.627 280 A CB -0.576 18.211 19.000 -0.356 0.000 0.818 280 A HN 0.505 nan 8.150 nan 0.000 0.445 281 L N -1.238 119.872 121.223 -0.189 0.000 2.083 281 L HA -0.187 4.152 4.340 -0.002 0.000 0.209 281 L C 2.897 179.709 176.870 -0.097 0.000 1.083 281 L CA 1.376 56.149 54.840 -0.111 0.000 0.752 281 L CB -0.476 41.553 42.059 -0.051 0.000 0.899 281 L HN 0.385 nan 8.230 nan 0.000 0.433 282 R N -0.087 120.359 120.500 -0.091 0.000 2.073 282 R HA -0.081 4.257 4.340 -0.002 0.000 0.229 282 R C 2.302 178.565 176.300 -0.061 0.000 1.120 282 R CA 1.018 57.098 56.100 -0.034 0.000 0.967 282 R CB -0.313 30.014 30.300 0.045 0.000 0.862 282 R HN 0.317 nan 8.270 nan 0.000 0.436 283 L N 0.269 121.387 121.223 -0.176 0.000 2.046 283 L HA -0.161 4.177 4.340 -0.002 0.000 0.208 283 L C 2.828 179.607 176.870 -0.152 0.000 1.077 283 L CA 1.287 56.005 54.840 -0.205 0.000 0.747 283 L CB -0.470 41.313 42.059 -0.460 0.000 0.896 283 L HN 0.201 nan 8.230 nan 0.000 0.432 284 R N 0.500 120.886 120.500 -0.190 0.000 2.073 284 R HA -0.246 4.093 4.340 -0.002 0.000 0.234 284 R C 2.255 178.549 176.300 -0.010 0.000 1.134 284 R CA 1.962 57.999 56.100 -0.105 0.000 0.952 284 R CB -0.095 30.139 30.300 -0.111 0.000 0.850 284 R HN 0.217 nan 8.270 nan 0.000 0.433 285 E N 0.156 120.344 120.200 -0.020 0.000 2.051 285 E HA -0.134 4.215 4.350 -0.002 0.000 0.192 285 E C 1.856 178.465 176.600 0.016 0.000 0.991 285 E CA 1.797 58.198 56.400 0.001 0.000 0.799 285 E CB -0.237 29.465 29.700 0.003 0.000 0.748 285 E HN 0.214 nan 8.360 nan 0.000 0.449 286 V N 0.394 120.331 119.914 0.038 0.000 2.407 286 V HA -0.231 3.887 4.120 -0.002 0.000 0.248 286 V C 2.158 178.285 176.094 0.055 0.000 1.055 286 V CA 2.018 64.364 62.300 0.077 0.000 1.049 286 V CB -0.768 31.130 31.823 0.125 0.000 0.662 286 V HN 0.400 nan 8.190 nan 0.000 0.455 287 Y N 0.427 120.666 120.300 -0.101 0.000 2.145 287 Y HA -0.192 4.356 4.550 -0.003 0.000 0.286 287 Y C 2.246 177.991 175.900 -0.258 0.000 1.145 287 Y CA 1.658 59.645 58.100 -0.189 0.000 1.148 287 Y CB -0.127 38.197 38.460 -0.228 0.000 0.981 287 Y HN 0.127 nan 8.280 nan 0.000 0.507 288 L N 0.025 121.161 121.223 -0.145 0.000 2.083 288 L HA -0.210 4.128 4.340 -0.002 0.000 0.209 288 L C 2.293 178.999 176.870 -0.272 0.000 1.083 288 L CA 1.663 56.342 54.840 -0.268 0.000 0.752 288 L CB -0.529 41.476 42.059 -0.089 0.000 0.899 288 L HN 0.319 nan 8.230 nan 0.000 0.433 289 E N 0.101 120.219 120.200 -0.137 0.000 2.106 289 E HA -0.192 4.157 4.350 -0.002 0.000 0.192 289 E C 2.321 178.876 176.600 -0.075 0.000 0.984 289 E CA 1.072 57.430 56.400 -0.070 0.000 0.806 289 E CB -0.117 29.585 29.700 0.005 0.000 0.750 289 E HN 0.498 nan 8.360 nan 0.000 0.458 290 A N 1.271 124.035 122.820 -0.094 0.000 1.877 290 A HA -0.158 4.161 4.320 -0.002 0.000 0.216 290 A C 2.547 180.043 177.584 -0.148 0.000 1.186 290 A CA 1.707 53.744 52.037 -0.001 0.000 0.620 290 A CB -0.951 18.072 19.000 0.037 0.000 0.822 290 A HN 0.244 nan 8.150 nan 0.000 0.443 291 V N -1.690 117.875 119.914 -0.583 0.000 2.759 291 V HA -0.104 4.015 4.120 -0.002 0.000 0.256 291 V C 1.907 177.747 176.094 -0.423 0.000 1.080 291 V CA 2.242 64.104 62.300 -0.730 0.000 1.101 291 V CB -1.740 29.108 31.823 -1.626 0.000 0.698 291 V HN 0.674 nan 8.190 nan 0.000 0.477 292 T N -2.635 111.732 114.554 -0.310 0.000 3.163 292 T HA 0.459 4.808 4.350 -0.002 0.000 0.252 292 T C 1.464 176.175 174.700 0.018 0.000 1.056 292 T CA 0.431 62.468 62.100 -0.104 0.000 0.947 292 T CB -0.191 68.628 68.868 -0.082 0.000 1.016 292 T HN 1.610 nan 8.240 nan 0.000 0.554 293 G N 2.169 110.991 108.800 0.038 0.000 2.221 293 G HA2 -0.299 3.660 3.960 -0.002 0.000 0.265 293 G HA3 -0.299 3.660 3.960 -0.002 0.000 0.265 293 G C 0.624 175.586 174.900 0.104 0.000 1.041 293 G CA 0.181 45.364 45.100 0.138 0.000 0.807 293 G HN 0.589 nan 8.290 nan 0.000 0.502 294 R N -0.899 119.636 120.500 0.059 0.000 2.432 294 R HA 0.163 4.502 4.340 -0.002 0.000 0.260 294 R C 0.409 176.733 176.300 0.039 0.000 0.935 294 R CA -0.268 55.857 56.100 0.041 0.000 1.080 294 R CB 0.425 30.739 30.300 0.022 0.000 1.155 294 R HN 0.105 nan 8.270 nan 0.000 0.531 295 R N 0.395 120.933 120.500 0.063 0.000 2.352 295 R HA 0.225 4.564 4.340 -0.002 0.000 0.304 295 R C -2.324 173.963 176.300 -0.021 0.000 1.104 295 R CA -2.214 53.907 56.100 0.035 0.000 0.991 295 R CB 1.344 31.750 30.300 0.176 0.000 1.140 295 R HN -0.102 nan 8.270 nan 0.000 0.540 296 P HA -0.233 nan 4.420 nan 0.000 0.216 296 P C 1.186 178.391 177.300 -0.159 0.000 1.153 296 P CA 1.256 64.310 63.100 -0.078 0.000 0.858 296 P CB 0.365 32.018 31.700 -0.079 0.000 0.789 297 E N -0.825 119.189 120.200 -0.309 0.000 2.401 297 E HA -0.197 4.151 4.350 -0.002 0.000 0.199 297 E C 0.793 177.047 176.600 -0.576 0.000 1.023 297 E CA 1.368 57.484 56.400 -0.473 0.000 0.859 297 E CB -0.965 28.346 29.700 -0.648 0.000 0.780 297 E HN 0.459 nan 8.360 nan 0.000 0.523 298 Y N 0.164 120.326 120.300 -0.230 0.000 2.531 298 Y HA 0.218 4.766 4.550 -0.003 0.000 0.249 298 Y C 1.773 177.573 175.900 -0.166 0.000 1.168 298 Y CA -0.568 57.299 58.100 -0.388 0.000 1.226 298 Y CB 0.700 38.990 38.460 -0.283 0.000 1.177 298 Y HN -0.097 nan 8.280 nan 0.000 0.527 299 E N 0.585 120.807 120.200 0.036 0.000 2.209 299 E HA -0.161 4.188 4.350 -0.002 0.000 0.196 299 E C 2.260 178.915 176.600 0.092 0.000 0.993 299 E CA 1.033 57.497 56.400 0.107 0.000 0.819 299 E CB -0.311 29.449 29.700 0.101 0.000 0.745 299 E HN 0.643 nan 8.360 nan 0.000 0.477 300 G N -0.103 108.697 108.800 0.001 0.000 2.479 300 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.220 300 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.220 300 G C 0.958 175.924 174.900 0.110 0.000 1.115 300 G CA 0.296 45.403 45.100 0.012 0.000 0.757 300 G HN 0.244 nan 8.290 nan 0.000 0.560 301 W N -0.195 121.094 121.300 -0.017 0.000 2.800 301 W HA 0.401 5.059 4.660 -0.003 0.000 0.249 301 W C 0.081 176.473 176.519 -0.211 0.000 1.294 301 W CA -0.455 56.783 57.345 -0.179 0.000 1.402 301 W CB -0.387 28.942 29.460 -0.220 0.000 1.126 301 W HN -0.030 nan 8.180 nan 0.000 0.652 302 L N -0.015 121.270 121.223 0.103 0.000 2.322 302 L HA 0.361 4.700 4.340 -0.002 0.000 0.279 302 L C 0.436 177.217 176.870 -0.148 0.000 1.036 302 L CA 0.076 54.869 54.840 -0.078 0.000 0.807 302 L CB 1.535 43.446 42.059 -0.247 0.000 1.226 302 L HN -0.434 nan 8.230 nan 0.000 0.433 303 T N 2.057 116.493 114.554 -0.196 0.000 2.912 303 T HA 0.406 4.755 4.350 -0.002 0.000 0.326 303 T C -0.689 173.922 174.700 -0.147 0.000 1.080 303 T CA -0.333 61.706 62.100 -0.102 0.000 1.000 303 T CB -0.130 68.707 68.868 -0.052 0.000 1.008 303 T HN 0.111 nan 8.240 nan 0.000 0.473 304 Y N 1.823 122.145 120.300 0.037 0.000 2.465 304 Y HA 0.110 4.658 4.550 -0.003 0.000 0.331 304 Y C 1.657 177.569 175.900 0.020 0.000 1.102 304 Y CA -0.416 57.704 58.100 0.034 0.000 1.358 304 Y CB 0.518 38.996 38.460 0.031 0.000 1.213 304 Y HN 0.372 nan 8.280 nan 0.000 0.525 305 V N 2.886 122.884 119.914 0.141 0.000 2.548 305 V HA -0.198 3.920 4.120 -0.002 0.000 0.249 305 V C 0.692 176.834 176.094 0.080 0.000 1.055 305 V CA 1.308 63.656 62.300 0.080 0.000 1.065 305 V CB -0.643 31.212 31.823 0.052 0.000 0.681 305 V HN 0.771 nan 8.190 nan 0.000 0.462 306 N N 0.000 118.764 118.700 0.107 0.000 1.763 306 N HA 0.000 4.739 4.740 -0.002 0.000 0.220 306 N CA 0.000 53.089 53.050 0.066 0.000 0.885 306 N CB 0.000 38.521 38.487 0.056 0.000 1.341 306 N HN 0.000 nan 8.380 nan 0.000 0.667