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_F DATA FIRST_RESID 2 DATA SEQUENCE QIKAGLIWMN GAFVPQEEAK TSVLSHALHY GTSVFEGIRA YETAKGPAIF DATA SEQUENCE RLKEHVKRFY NSAKVLRMEI PFAPEELEEA IKEVVRRNGY RSCYIRPLAW DATA SEQUENCE MGAKALGVNP LPNNPAEVMV AAWEWXXXXX XXAVRKGARL 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 0.000 175.906 176.000 -0.156 0.000 1.003 2 Q CA 0.000 55.732 55.803 -0.118 0.000 1.022 2 Q CB 0.000 28.690 28.738 -0.080 0.000 1.108 3 I N 2.036 122.491 120.570 -0.192 0.000 2.365 3 I HA 0.370 4.540 4.170 -0.000 0.000 0.291 3 I C 0.331 176.375 176.117 -0.121 0.000 1.004 3 I CA -0.167 60.971 61.300 -0.270 0.000 1.311 3 I CB 1.356 39.087 38.000 -0.447 0.000 1.401 3 I HN 0.740 nan 8.210 nan 0.000 0.491 4 K N 5.014 125.378 120.400 -0.060 0.000 2.265 4 K HA 0.599 4.919 4.320 -0.000 0.000 0.242 4 K C 0.565 177.300 176.600 0.225 0.000 1.137 4 K CA 0.193 56.524 56.287 0.074 0.000 1.082 4 K CB 0.417 32.968 32.500 0.084 0.000 1.731 4 K HN 0.852 nan 8.250 nan 0.000 0.392 5 A N 0.550 123.510 122.820 0.232 0.000 1.943 5 A HA 0.528 4.848 4.320 -0.000 0.000 0.213 5 A C 1.800 179.597 177.584 0.355 0.000 1.181 5 A CA 1.659 53.931 52.037 0.391 0.000 0.653 5 A CB -0.472 18.739 19.000 0.351 0.000 0.833 5 A HN 1.990 nan 8.150 nan 0.000 0.451 6 G N -0.813 108.118 108.800 0.218 0.000 2.509 6 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.256 6 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.256 6 G C -0.073 174.917 174.900 0.150 0.000 1.152 6 G CA -0.111 45.076 45.100 0.145 0.000 0.951 6 G HN 0.725 nan 8.290 nan 0.000 0.559 7 L N 1.184 122.487 121.223 0.135 0.000 2.360 7 L HA 0.528 4.868 4.340 -0.000 0.000 0.276 7 L C 0.462 177.556 176.870 0.374 0.000 1.121 7 L CA -0.087 54.885 54.840 0.219 0.000 0.845 7 L CB 0.568 42.714 42.059 0.144 0.000 1.143 7 L HN 0.376 nan 8.230 nan 0.000 0.452 8 I N 1.967 122.742 120.570 0.342 0.000 2.474 8 I HA 0.195 4.365 4.170 -0.000 0.000 0.294 8 I C -0.666 175.533 176.117 0.136 0.000 1.005 8 I CA -0.547 60.922 61.300 0.282 0.000 1.113 8 I CB 1.976 40.089 38.000 0.189 0.000 1.289 8 I HN 0.600 nan 8.210 nan 0.000 0.436 9 W N 8.320 129.430 121.300 -0.318 0.000 2.345 9 W HA 0.349 5.009 4.660 -0.000 0.000 0.308 9 W C -0.809 175.530 176.519 -0.300 0.000 1.273 9 W CA -0.359 56.543 57.345 -0.739 0.000 1.243 9 W CB 0.671 29.566 29.460 -0.942 0.000 1.260 9 W HN 0.237 nan 8.180 nan 0.000 0.509 10 M N 7.510 126.725 119.600 -0.643 0.000 2.018 10 M HA 0.105 4.585 4.480 -0.000 0.000 0.311 10 M C -0.050 175.773 176.300 -0.794 0.000 0.928 10 M CA -0.336 54.686 55.300 -0.463 0.000 0.911 10 M CB 0.903 33.400 32.600 -0.172 0.000 1.447 10 M HN 0.537 nan 8.290 nan 0.000 0.407 11 N N 2.727 120.847 118.700 -0.966 0.000 2.688 11 N HA -0.204 4.536 4.740 -0.000 0.000 0.258 11 N C 0.864 175.929 175.510 -0.742 0.000 1.016 11 N CA 1.329 53.968 53.050 -0.685 0.000 0.747 11 N CB -0.649 37.762 38.487 -0.127 0.000 0.895 11 N HN 1.196 nan 8.380 nan 0.000 0.543 12 G N -2.105 105.651 108.800 -1.739 0.000 2.194 12 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.236 12 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.236 12 G C -0.013 174.596 174.900 -0.484 0.000 0.987 12 G CA 0.440 45.201 45.100 -0.566 0.000 0.635 12 G HN 1.308 nan 8.290 nan 0.000 0.520 13 A N -0.689 121.626 122.820 -0.843 0.000 2.520 13 A HA 0.771 5.091 4.320 -0.000 0.000 0.298 13 A C -0.680 176.675 177.584 -0.382 0.000 1.051 13 A CA -0.694 51.128 52.037 -0.359 0.000 0.690 13 A CB 0.950 19.862 19.000 -0.146 0.000 1.281 13 A HN 0.716 nan 8.150 nan 0.000 0.402 14 F N 1.229 121.163 119.950 -0.027 0.000 2.429 14 F HA 0.483 5.010 4.527 -0.000 0.000 0.348 14 F C 0.825 176.631 175.800 0.010 0.000 1.109 14 F CA 0.452 58.477 58.000 0.041 0.000 1.232 14 F CB 1.697 40.758 39.000 0.102 0.000 1.157 14 F HN 0.566 nan 8.300 nan 0.000 0.564 15 V N 1.061 121.085 119.914 0.184 0.000 3.114 15 V HA 0.664 4.784 4.120 -0.000 0.000 0.308 15 V C -2.988 173.181 176.094 0.124 0.000 1.168 15 V CA -3.097 59.271 62.300 0.113 0.000 1.015 15 V CB 1.906 33.758 31.823 0.048 0.000 1.050 15 V HN 0.404 nan 8.190 nan 0.000 0.433 16 P HA 0.131 nan 4.420 nan 0.000 0.268 16 P C 0.639 177.986 177.300 0.078 0.000 1.208 16 P CA 0.219 63.366 63.100 0.079 0.000 0.777 16 P CB 0.488 32.220 31.700 0.053 0.000 0.875 17 Q N 2.218 122.067 119.800 0.082 0.000 2.173 17 Q HA -0.310 4.029 4.340 -0.000 0.000 0.208 17 Q C 2.118 178.145 176.000 0.045 0.000 0.989 17 Q CA 2.456 58.303 55.803 0.074 0.000 0.872 17 Q CB -0.294 28.487 28.738 0.072 0.000 0.909 17 Q HN 0.599 nan 8.270 nan 0.000 0.420 18 E N 0.846 121.068 120.200 0.035 0.000 2.204 18 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 18 E C 1.354 177.968 176.600 0.023 0.000 0.990 18 E CA 1.440 57.853 56.400 0.021 0.000 0.821 18 E CB -0.469 29.242 29.700 0.018 0.000 0.750 18 E HN 0.682 nan 8.360 nan 0.000 0.477 19 E N -0.638 119.581 120.200 0.032 0.000 2.478 19 E HA 0.275 4.625 4.350 -0.000 0.000 0.194 19 E C 0.902 177.524 176.600 0.036 0.000 1.045 19 E CA 0.244 56.663 56.400 0.031 0.000 0.868 19 E CB 0.528 30.248 29.700 0.033 0.000 0.885 19 E HN 0.448 nan 8.360 nan 0.000 0.505 20 A N 2.350 125.195 122.820 0.041 0.000 2.990 20 A HA 0.140 4.460 4.320 -0.000 0.000 0.282 20 A C -0.152 177.448 177.584 0.027 0.000 1.688 20 A CA 0.132 52.197 52.037 0.048 0.000 1.391 20 A CB -0.295 18.741 19.000 0.059 0.000 1.112 20 A HN -0.031 nan 8.150 nan 0.000 0.588 21 K N -0.059 120.365 120.400 0.040 0.000 2.444 21 K HA 0.729 5.049 4.320 -0.000 0.000 0.252 21 K C -0.741 175.906 176.600 0.078 0.000 0.993 21 K CA -0.663 55.638 56.287 0.023 0.000 0.847 21 K CB 2.327 34.835 32.500 0.014 0.000 1.340 21 K HN 0.349 nan 8.250 nan 0.000 0.446 22 T N -0.610 113.982 114.554 0.063 0.000 2.896 22 T HA 0.241 4.591 4.350 -0.000 0.000 0.297 22 T C -0.876 173.890 174.700 0.110 0.000 1.108 22 T CA -0.482 61.716 62.100 0.163 0.000 1.004 22 T CB 1.638 70.684 68.868 0.296 0.000 1.159 22 T HN 0.531 nan 8.240 nan 0.000 0.499 23 S N 0.980 116.765 115.700 0.142 0.000 2.558 23 S HA 0.065 4.535 4.470 -0.000 0.000 0.288 23 S C 1.689 176.350 174.600 0.101 0.000 1.318 23 S CA 0.050 58.312 58.200 0.104 0.000 1.056 23 S CB 0.269 63.532 63.200 0.106 0.000 0.853 23 S HN 0.908 nan 8.310 nan 0.000 0.505 24 V N 4.182 124.142 119.914 0.075 0.000 3.510 24 V HA 0.167 4.287 4.120 -0.000 0.000 0.270 24 V C 1.153 177.362 176.094 0.191 0.000 1.201 24 V CA 1.088 63.434 62.300 0.077 0.000 1.166 24 V CB -0.960 30.883 31.823 0.033 0.000 0.825 24 V HN 0.795 nan 8.190 nan 0.000 0.484 25 L N 0.451 121.767 121.223 0.156 0.000 2.700 25 L HA 0.313 4.652 4.340 -0.000 0.000 0.234 25 L C 0.905 177.812 176.870 0.061 0.000 1.156 25 L CA -0.126 54.777 54.840 0.104 0.000 0.946 25 L CB 0.017 42.097 42.059 0.035 0.000 1.216 25 L HN 0.212 nan 8.230 nan 0.000 0.493 26 S N -0.421 115.384 115.700 0.175 0.000 2.533 26 S HA -0.026 4.444 4.470 -0.000 0.000 0.282 26 S C 1.292 176.036 174.600 0.240 0.000 1.304 26 S CA -0.269 58.077 58.200 0.243 0.000 1.063 26 S CB 0.545 63.960 63.200 0.359 0.000 0.881 26 S HN 0.290 nan 8.310 nan 0.000 0.493 27 H N 3.415 122.565 119.070 0.135 0.000 2.321 27 H HA -0.237 4.319 4.556 -0.000 0.000 0.295 27 H C 2.116 177.562 175.328 0.196 0.000 1.102 27 H CA 2.147 58.285 56.048 0.149 0.000 1.266 27 H CB -0.223 29.660 29.762 0.201 0.000 1.363 27 H HN 0.751 nan 8.280 nan 0.000 0.492 28 A N 0.576 123.641 122.820 0.409 0.000 2.019 28 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 28 A C 2.498 180.175 177.584 0.155 0.000 1.164 28 A CA 1.158 53.387 52.037 0.320 0.000 0.644 28 A CB -0.604 18.626 19.000 0.384 0.000 0.805 28 A HN 0.392 nan 8.150 nan 0.000 0.449 29 L N -1.148 120.148 121.223 0.122 0.000 2.291 29 L HA -0.054 4.286 4.340 -0.000 0.000 0.214 29 L C 2.082 178.869 176.870 -0.138 0.000 1.120 29 L CA 1.687 56.522 54.840 -0.007 0.000 0.799 29 L CB -0.445 41.612 42.059 -0.004 0.000 0.925 29 L HN 0.549 nan 8.230 nan 0.000 0.446 30 H N -2.937 115.946 119.070 -0.311 0.000 2.516 30 H HA 0.108 4.664 4.556 -0.000 0.000 0.284 30 H C 0.524 175.503 175.328 -0.581 0.000 0.999 30 H CA 1.000 56.693 56.048 -0.592 0.000 1.303 30 H CB 0.411 29.509 29.762 -1.107 0.000 1.452 30 H HN 0.360 nan 8.280 nan 0.000 0.530 31 Y N -0.349 119.975 120.300 0.040 0.000 2.682 31 Y HA 0.290 4.840 4.550 0.000 0.000 0.251 31 Y C 1.443 177.393 175.900 0.083 0.000 1.172 31 Y CA -0.034 58.072 58.100 0.011 0.000 1.186 31 Y CB 1.260 39.646 38.460 -0.122 0.000 1.216 31 Y HN 0.200 nan 8.280 nan 0.000 0.540 32 G N 1.402 110.323 108.800 0.202 0.000 2.187 32 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.261 32 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.261 32 G C 0.421 175.457 174.900 0.226 0.000 1.000 32 G CA 0.851 46.064 45.100 0.190 0.000 0.718 32 G HN 0.425 nan 8.290 nan 0.000 0.519 33 T N -0.764 113.966 114.554 0.293 0.000 4.313 33 T HA 0.589 4.939 4.350 -0.000 0.000 0.272 33 T C 0.494 175.351 174.700 0.260 0.000 1.298 33 T CA 0.467 62.738 62.100 0.285 0.000 1.124 33 T CB 0.278 69.390 68.868 0.407 0.000 1.352 33 T HN 1.477 nan 8.240 nan 0.000 1.013 34 S N 0.344 116.189 115.700 0.243 0.000 2.618 34 S HA 0.851 5.321 4.470 -0.000 0.000 0.277 34 S C -0.580 174.158 174.600 0.229 0.000 1.138 34 S CA -0.689 57.674 58.200 0.271 0.000 0.844 34 S CB 1.892 65.289 63.200 0.329 0.000 1.127 34 S HN 1.037 nan 8.310 nan 0.000 0.474 35 V N -0.607 119.431 119.914 0.207 0.000 2.925 35 V HA 1.003 5.123 4.120 -0.000 0.000 0.311 35 V C -0.898 175.408 176.094 0.353 0.000 1.104 35 V CA -1.056 61.318 62.300 0.124 0.000 0.954 35 V CB 0.835 32.562 31.823 -0.160 0.000 1.022 35 V HN 1.421 nan 8.190 nan 0.000 0.427 36 F N -0.040 120.064 119.950 0.257 0.000 2.715 36 F HA 0.990 5.517 4.527 -0.000 0.000 0.318 36 F C -0.827 175.178 175.800 0.342 0.000 1.141 36 F CA -0.717 57.511 58.000 0.381 0.000 0.950 36 F CB 1.627 40.737 39.000 0.185 0.000 1.374 36 F HN 0.579 nan 8.300 nan 0.000 0.477 37 E N -0.203 120.228 120.200 0.385 0.000 2.410 37 E HA 0.630 4.979 4.350 -0.000 0.000 0.269 37 E C -1.296 175.398 176.600 0.156 0.000 0.937 37 E CA -0.997 55.502 56.400 0.165 0.000 0.793 37 E CB 2.121 31.842 29.700 0.036 0.000 1.314 37 E HN 1.034 nan 8.360 nan 0.000 0.447 38 G N 1.260 110.077 108.800 0.028 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 -0.729 173.850 174.900 -0.536 0.000 1.456 38 G CA -0.325 44.669 45.100 -0.178 0.000 0.996 38 G HN 0.253 nan 8.290 nan 0.000 0.528 39 I N 1.521 121.589 120.570 -0.837 0.000 2.647 39 I HA 0.551 4.721 4.170 -0.000 0.000 0.295 39 I C -0.198 175.557 176.117 -0.603 0.000 1.078 39 I CA -0.993 59.834 61.300 -0.789 0.000 1.048 39 I CB 2.744 40.342 38.000 -0.670 0.000 1.239 39 I HN 0.200 nan 8.210 nan 0.000 0.421 40 R N 3.238 123.520 120.500 -0.363 0.000 2.664 40 R HA 0.854 5.194 4.340 -0.000 0.000 0.286 40 R C -0.948 175.220 176.300 -0.220 0.000 0.967 40 R CA -0.932 54.964 56.100 -0.341 0.000 0.933 40 R CB 2.432 32.505 30.300 -0.379 0.000 1.146 40 R HN 0.752 nan 8.270 nan 0.000 0.468 41 A N 2.573 125.204 122.820 -0.314 0.000 2.355 41 A HA 0.655 4.975 4.320 -0.000 0.000 0.317 41 A C -1.555 175.862 177.584 -0.279 0.000 1.094 41 A CA -0.498 51.442 52.037 -0.162 0.000 0.764 41 A CB 0.827 19.757 19.000 -0.117 0.000 1.230 41 A HN 0.640 nan 8.150 nan 0.000 0.448 42 Y N 0.084 120.334 120.300 -0.084 0.000 2.562 42 Y HA 0.550 5.100 4.550 -0.000 0.000 0.343 42 Y C 0.394 176.284 175.900 -0.018 0.000 1.025 42 Y CA -0.597 57.460 58.100 -0.072 0.000 1.082 42 Y CB 1.717 40.106 38.460 -0.118 0.000 1.264 42 Y HN 0.786 nan 8.280 nan 0.000 0.478 43 E N 1.079 121.380 120.200 0.169 0.000 2.331 43 E HA 0.460 4.809 4.350 -0.000 0.000 0.272 43 E C -0.531 176.152 176.600 0.139 0.000 1.036 43 E CA -0.157 56.322 56.400 0.132 0.000 0.864 43 E CB 0.831 30.594 29.700 0.106 0.000 1.035 43 E HN 0.665 nan 8.360 nan 0.000 0.408 44 T N -0.089 114.553 114.554 0.147 0.000 2.804 44 T HA 0.651 5.001 4.350 -0.000 0.000 0.290 44 T C 0.661 175.434 174.700 0.121 0.000 1.099 44 T CA -0.289 61.903 62.100 0.153 0.000 1.011 44 T CB 1.015 70.042 68.868 0.266 0.000 1.291 44 T HN 0.306 nan 8.240 nan 0.000 0.523 45 A N 0.040 122.915 122.820 0.093 0.000 2.121 45 A HA 0.151 4.471 4.320 -0.000 0.000 0.218 45 A C 1.684 179.286 177.584 0.029 0.000 1.154 45 A CA 0.790 52.856 52.037 0.050 0.000 0.679 45 A CB -0.643 18.373 19.000 0.028 0.000 0.795 45 A HN 0.770 nan 8.150 nan 0.000 0.458 46 K N -0.513 119.911 120.400 0.040 0.000 2.440 46 K HA 0.402 4.722 4.320 -0.000 0.000 0.206 46 K C 0.527 177.167 176.600 0.066 0.000 1.025 46 K CA 0.331 56.590 56.287 -0.048 0.000 1.135 46 K CB 0.232 32.523 32.500 -0.349 0.000 0.856 46 K HN 0.561 nan 8.250 nan 0.000 0.502 47 G N 2.013 110.890 108.800 0.129 0.000 2.655 47 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.680 47 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.680 47 G C -3.062 171.960 174.900 0.203 0.000 1.302 47 G CA -1.349 43.839 45.100 0.146 0.000 0.872 47 G HN -0.125 nan 8.290 nan 0.000 0.540 48 P HA 0.452 nan 4.420 nan 0.000 0.266 48 P C -0.175 177.185 177.300 0.100 0.000 1.195 48 P CA 0.991 64.161 63.100 0.116 0.000 0.768 48 P CB 1.087 32.837 31.700 0.083 0.000 0.838 49 A N 3.982 126.818 122.820 0.026 0.000 2.359 49 A HA 0.573 4.893 4.320 -0.000 0.000 0.303 49 A C -0.462 177.098 177.584 -0.040 0.000 1.066 49 A CA -0.725 51.227 52.037 -0.142 0.000 0.730 49 A CB 0.486 19.255 19.000 -0.386 0.000 1.211 49 A HN 0.433 nan 8.150 nan 0.000 0.439 50 I N 2.113 122.647 120.570 -0.061 0.000 2.395 50 I HA 0.190 4.360 4.170 -0.000 0.000 0.289 50 I C -0.407 175.742 176.117 0.054 0.000 1.023 50 I CA -0.190 61.100 61.300 -0.017 0.000 1.350 50 I CB 0.844 38.805 38.000 -0.065 0.000 1.409 50 I HN 0.664 nan 8.210 nan 0.000 0.507 51 F N 6.434 126.357 119.950 -0.046 0.000 2.424 51 F HA 0.346 4.872 4.527 -0.000 0.000 0.356 51 F C 0.918 176.729 175.800 0.018 0.000 1.110 51 F CA -0.746 57.242 58.000 -0.020 0.000 1.161 51 F CB 0.040 39.042 39.000 0.003 0.000 1.115 51 F HN 0.431 nan 8.300 nan 0.000 0.507 52 R N 4.673 124.814 120.500 -0.599 0.000 3.225 52 R HA -0.254 4.085 4.340 -0.000 0.000 0.245 52 R C 1.051 177.293 176.300 -0.096 0.000 0.928 52 R CA 0.560 56.382 56.100 -0.464 0.000 0.632 52 R CB -1.770 28.032 30.300 -0.831 0.000 1.038 52 R HN 0.743 nan 8.270 nan 0.000 0.461 53 L N 1.926 123.113 121.223 -0.061 0.000 2.042 53 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 53 L C 2.578 179.446 176.870 -0.003 0.000 1.076 53 L CA 2.413 57.241 54.840 -0.020 0.000 0.749 53 L CB -0.254 41.772 42.059 -0.055 0.000 0.893 53 L HN 0.327 nan 8.230 nan 0.000 0.432 54 K N -0.503 119.878 120.400 -0.031 0.000 2.032 54 K HA -0.211 4.109 4.320 -0.000 0.000 0.209 54 K C 1.759 178.342 176.600 -0.028 0.000 1.048 54 K CA 1.888 58.160 56.287 -0.026 0.000 0.927 54 K CB -1.233 31.252 32.500 -0.026 0.000 0.712 54 K HN 0.419 nan 8.250 nan 0.000 0.441 55 E N 0.684 120.835 120.200 -0.081 0.000 2.110 55 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 55 E C 2.263 178.784 176.600 -0.132 0.000 0.988 55 E CA 0.932 57.252 56.400 -0.134 0.000 0.804 55 E CB -0.374 29.178 29.700 -0.247 0.000 0.745 55 E HN 0.517 nan 8.360 nan 0.000 0.458 56 H N 0.068 119.102 119.070 -0.060 0.000 2.357 56 H HA -0.037 4.519 4.556 -0.000 0.000 0.301 56 H C 2.322 177.670 175.328 0.035 0.000 1.082 56 H CA 1.113 57.142 56.048 -0.031 0.000 1.342 56 H CB 0.006 29.721 29.762 -0.080 0.000 1.389 56 H HN -0.015 nan 8.280 nan 0.000 0.511 57 V N 1.251 121.254 119.914 0.150 0.000 2.358 57 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 57 V C 2.598 178.890 176.094 0.330 0.000 1.047 57 V CA 1.791 64.218 62.300 0.213 0.000 1.035 57 V CB -0.398 31.501 31.823 0.127 0.000 0.658 57 V HN 0.324 nan 8.190 nan 0.000 0.452 58 K N 0.360 120.857 120.400 0.162 0.000 2.063 58 K HA -0.241 4.079 4.320 -0.000 0.000 0.208 58 K C 2.360 179.056 176.600 0.161 0.000 1.048 58 K CA 1.835 58.197 56.287 0.126 0.000 0.928 58 K CB -0.168 32.348 32.500 0.028 0.000 0.713 58 K HN 0.314 nan 8.250 nan 0.000 0.442 59 R N -0.554 120.020 120.500 0.122 0.000 2.115 59 R HA -0.107 4.233 4.340 -0.000 0.000 0.226 59 R C 2.125 178.520 176.300 0.159 0.000 1.100 59 R CA 0.990 57.144 56.100 0.090 0.000 0.980 59 R CB -0.266 30.048 30.300 0.023 0.000 0.875 59 R HN 0.223 nan 8.270 nan 0.000 0.445 60 F N 0.296 120.286 119.950 0.067 0.000 2.102 60 F HA -0.219 4.308 4.527 0.000 0.000 0.298 60 F C 1.348 177.130 175.800 -0.030 0.000 1.105 60 F CA 1.569 59.576 58.000 0.011 0.000 1.239 60 F CB -0.483 38.526 39.000 0.016 0.000 0.991 60 F HN -0.007 nan 8.300 nan 0.000 0.474 61 Y N 0.363 120.708 120.300 0.076 0.000 2.242 61 Y HA -0.166 4.383 4.550 -0.000 0.000 0.291 61 Y C 2.370 178.231 175.900 -0.065 0.000 1.137 61 Y CA 1.937 60.018 58.100 -0.032 0.000 1.181 61 Y CB -1.164 37.323 38.460 0.045 0.000 0.989 61 Y HN 0.162 nan 8.280 nan 0.000 0.527 62 N N -0.804 117.961 118.700 0.107 0.000 2.120 62 N HA -0.180 4.560 4.740 -0.000 0.000 0.188 62 N C 1.907 177.398 175.510 -0.031 0.000 1.024 62 N CA 1.266 54.335 53.050 0.032 0.000 0.852 62 N CB -0.177 38.325 38.487 0.024 0.000 1.003 62 N HN 0.139 nan 8.380 nan 0.000 0.424 63 S N 0.541 116.200 115.700 -0.067 0.000 2.370 63 S HA -0.135 4.335 4.470 -0.000 0.000 0.226 63 S C 2.100 176.619 174.600 -0.134 0.000 1.033 63 S CA 1.099 59.238 58.200 -0.102 0.000 1.011 63 S CB -0.272 62.852 63.200 -0.127 0.000 0.852 63 S HN 0.467 nan 8.310 nan 0.000 0.457 64 A N 1.771 124.465 122.820 -0.210 0.000 1.902 64 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 64 A C 2.020 179.541 177.584 -0.105 0.000 1.181 64 A CA 1.489 53.404 52.037 -0.203 0.000 0.623 64 A CB -0.457 18.360 19.000 -0.305 0.000 0.818 64 A HN 0.460 nan 8.150 nan 0.000 0.443 65 K N -0.360 120.001 120.400 -0.066 0.000 2.074 65 K HA -0.133 4.187 4.320 -0.000 0.000 0.209 65 K C 1.826 178.403 176.600 -0.040 0.000 1.048 65 K CA 1.569 57.835 56.287 -0.034 0.000 0.926 65 K CB -0.499 31.994 32.500 -0.011 0.000 0.713 65 K HN 0.335 nan 8.250 nan 0.000 0.444 66 V N 1.723 121.610 119.914 -0.046 0.000 2.392 66 V HA -0.220 3.900 4.120 -0.000 0.000 0.249 66 V C 2.017 178.085 176.094 -0.042 0.000 1.059 66 V CA 1.602 63.876 62.300 -0.044 0.000 1.051 66 V CB -0.409 31.385 31.823 -0.049 0.000 0.658 66 V HN 0.306 nan 8.190 nan 0.000 0.455 67 L N -0.932 120.262 121.223 -0.047 0.000 2.591 67 L HA 0.204 4.544 4.340 -0.000 0.000 0.228 67 L C 1.166 178.008 176.870 -0.046 0.000 1.133 67 L CA 0.173 54.989 54.840 -0.039 0.000 0.880 67 L CB -0.211 41.828 42.059 -0.032 0.000 1.033 67 L HN 0.311 nan 8.230 nan 0.000 0.450 68 R N -0.143 120.328 120.500 -0.047 0.000 3.651 68 R HA -0.186 4.154 4.340 -0.000 0.000 0.292 68 R C 0.285 176.551 176.300 -0.056 0.000 1.161 68 R CA 0.525 56.597 56.100 -0.045 0.000 0.787 68 R CB -1.766 28.510 30.300 -0.041 0.000 1.249 68 R HN 0.358 nan 8.270 nan 0.000 0.476 69 M N 1.512 121.071 119.600 -0.069 0.000 2.216 69 M HA 0.129 4.609 4.480 -0.000 0.000 0.356 69 M C -0.092 176.158 176.300 -0.083 0.000 1.205 69 M CA 0.155 55.404 55.300 -0.084 0.000 1.122 69 M CB 0.800 33.339 32.600 -0.102 0.000 1.571 69 M HN -0.065 nan 8.290 nan 0.000 0.464 70 E N 6.463 126.618 120.200 -0.076 0.000 2.109 70 E HA 0.348 4.698 4.350 -0.000 0.000 0.278 70 E C -0.920 175.645 176.600 -0.058 0.000 0.954 70 E CA -0.241 56.127 56.400 -0.054 0.000 0.779 70 E CB 1.267 30.938 29.700 -0.049 0.000 1.093 70 E HN 0.722 nan 8.360 nan 0.000 0.401 71 I N 5.524 126.076 120.570 -0.031 0.000 2.291 71 I HA 0.117 4.287 4.170 -0.000 0.000 0.290 71 I C -1.444 174.731 176.117 0.098 0.000 1.050 71 I CA -1.776 59.534 61.300 0.017 0.000 1.245 71 I CB 1.103 39.027 38.000 -0.127 0.000 1.405 71 I HN 0.126 nan 8.210 nan 0.000 0.478 72 P HA 0.097 nan 4.420 nan 0.000 0.269 72 P C -0.764 176.201 177.300 -0.559 0.000 1.601 72 P CA 0.485 63.422 63.100 -0.273 0.000 0.831 72 P CB -0.478 30.973 31.700 -0.414 0.000 1.688 73 F N -0.231 119.829 119.950 0.184 0.000 2.619 73 F HA 0.535 5.062 4.527 -0.000 0.000 0.308 73 F C 0.222 176.179 175.800 0.262 0.000 1.097 73 F CA -1.327 56.808 58.000 0.225 0.000 0.953 73 F CB 1.307 40.485 39.000 0.297 0.000 1.287 73 F HN -0.166 nan 8.300 nan 0.000 0.446 74 A N 2.899 125.925 122.820 0.344 0.000 2.371 74 A HA 0.487 4.807 4.320 -0.000 0.000 0.257 74 A C -1.923 175.754 177.584 0.154 0.000 1.089 74 A CA -1.207 50.935 52.037 0.175 0.000 0.794 74 A CB 0.193 19.251 19.000 0.097 0.000 1.029 74 A HN 0.608 nan 8.150 nan 0.000 0.488 75 P HA -0.158 nan 4.420 nan 0.000 0.216 75 P C 1.795 179.086 177.300 -0.016 0.000 1.154 75 P CA 2.456 65.464 63.100 -0.153 0.000 0.865 75 P CB 0.143 31.601 31.700 -0.403 0.000 0.789 76 E N 0.517 120.705 120.200 -0.020 0.000 2.085 76 E HA -0.284 4.066 4.350 -0.000 0.000 0.194 76 E C 1.889 178.489 176.600 0.000 0.000 0.994 76 E CA 1.688 58.083 56.400 -0.008 0.000 0.801 76 E CB -1.526 28.176 29.700 0.003 0.000 0.743 76 E HN 0.470 nan 8.360 nan 0.000 0.453 77 E N -0.658 119.571 120.200 0.049 0.000 2.077 77 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 77 E C 2.242 178.753 176.600 -0.148 0.000 0.989 77 E CA 1.133 57.558 56.400 0.042 0.000 0.800 77 E CB -0.143 29.686 29.700 0.214 0.000 0.746 77 E HN 0.410 nan 8.360 nan 0.000 0.452 78 L N 1.573 122.713 121.223 -0.139 0.000 2.093 78 L HA -0.164 4.175 4.340 -0.000 0.000 0.208 78 L C 1.874 178.554 176.870 -0.316 0.000 1.085 78 L CA 1.710 56.342 54.840 -0.347 0.000 0.755 78 L CB -0.101 41.902 42.059 -0.093 0.000 0.904 78 L HN 0.035 nan 8.230 nan 0.000 0.435 79 E N -0.914 119.190 120.200 -0.159 0.000 2.106 79 E HA -0.264 4.086 4.350 -0.000 0.000 0.192 79 E C 1.984 178.501 176.600 -0.139 0.000 0.984 79 E CA 1.115 57.436 56.400 -0.132 0.000 0.806 79 E CB -0.024 29.634 29.700 -0.069 0.000 0.750 79 E HN 0.435 nan 8.360 nan 0.000 0.458 80 E N 1.040 121.164 120.200 -0.128 0.000 2.106 80 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 80 E C 1.821 178.341 176.600 -0.133 0.000 0.984 80 E CA 1.316 57.664 56.400 -0.086 0.000 0.806 80 E CB -0.210 29.470 29.700 -0.033 0.000 0.750 80 E HN 0.215 nan 8.360 nan 0.000 0.458 81 A N 0.486 123.102 122.820 -0.340 0.000 1.933 81 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 81 A C 2.345 179.743 177.584 -0.311 0.000 1.175 81 A CA 1.471 53.165 52.037 -0.572 0.000 0.628 81 A CB -0.662 17.354 19.000 -1.641 0.000 0.814 81 A HN 0.361 nan 8.150 nan 0.000 0.444 82 I N -0.622 119.766 120.570 -0.303 0.000 2.315 82 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 82 I C 2.415 178.477 176.117 -0.092 0.000 1.117 82 I CA 1.463 62.642 61.300 -0.202 0.000 1.404 82 I CB -0.216 37.646 38.000 -0.229 0.000 1.071 82 I HN 0.290 nan 8.210 nan 0.000 0.419 83 K N 0.686 121.043 120.400 -0.073 0.000 2.057 83 K HA -0.160 4.160 4.320 -0.000 0.000 0.206 83 K C 1.968 178.567 176.600 -0.001 0.000 1.050 83 K CA 1.327 57.596 56.287 -0.030 0.000 0.935 83 K CB -0.154 32.332 32.500 -0.022 0.000 0.715 83 K HN 0.326 nan 8.250 nan 0.000 0.439 84 E N 0.640 120.859 120.200 0.031 0.000 2.204 84 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 84 E C 1.960 178.558 176.600 -0.004 0.000 0.989 84 E CA 0.648 57.062 56.400 0.023 0.000 0.824 84 E CB 0.032 29.806 29.700 0.123 0.000 0.756 84 E HN 0.046 nan 8.360 nan 0.000 0.477 85 V N 0.504 120.541 119.914 0.205 0.000 2.626 85 V HA -0.182 3.938 4.120 -0.000 0.000 0.252 85 V C 1.950 178.098 176.094 0.090 0.000 1.067 85 V CA 1.162 63.618 62.300 0.261 0.000 1.081 85 V CB 0.106 32.109 31.823 0.301 0.000 0.686 85 V HN 0.085 nan 8.190 nan 0.000 0.468 86 V N 0.032 119.984 119.914 0.064 0.000 2.302 86 V HA -0.142 3.978 4.120 -0.000 0.000 0.243 86 V C 2.549 178.623 176.094 -0.035 0.000 1.036 86 V CA 2.159 64.512 62.300 0.088 0.000 1.020 86 V CB -0.717 31.148 31.823 0.069 0.000 0.657 86 V HN 0.465 nan 8.190 nan 0.000 0.453 87 R N 0.163 120.627 120.500 -0.059 0.000 2.088 87 R HA -0.154 4.186 4.340 -0.000 0.000 0.232 87 R C 2.517 178.715 176.300 -0.169 0.000 1.136 87 R CA 1.886 57.931 56.100 -0.092 0.000 0.926 87 R CB -0.472 29.780 30.300 -0.081 0.000 0.837 87 R HN 0.395 nan 8.270 nan 0.000 0.429 88 R N 0.326 120.676 120.500 -0.250 0.000 2.170 88 R HA -0.090 4.249 4.340 -0.000 0.000 0.242 88 R C 1.450 177.575 176.300 -0.292 0.000 1.145 88 R CA 1.211 57.125 56.100 -0.310 0.000 0.984 88 R CB -0.224 29.752 30.300 -0.541 0.000 0.869 88 R HN 0.326 nan 8.270 nan 0.000 0.455 89 N N -0.501 117.974 118.700 -0.375 0.000 2.280 89 N HA 0.022 4.761 4.740 -0.000 0.000 0.192 89 N C 0.572 175.735 175.510 -0.579 0.000 1.109 89 N CA 0.866 53.571 53.050 -0.576 0.000 0.855 89 N CB 1.191 39.047 38.487 -1.051 0.000 0.974 89 N HN 0.331 nan 8.380 nan 0.000 0.482 90 G N 1.155 109.759 108.800 -0.328 0.000 2.273 90 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.280 90 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.280 90 G C -0.311 174.562 174.900 -0.045 0.000 1.047 90 G CA 0.047 45.055 45.100 -0.153 0.000 0.869 90 G HN 0.438 nan 8.290 nan 0.000 0.502 91 Y N -1.205 119.100 120.300 0.008 0.000 2.307 91 Y HA 0.527 5.077 4.550 -0.000 0.000 0.324 91 Y C 1.817 177.722 175.900 0.010 0.000 1.238 91 Y CA -0.778 57.330 58.100 0.014 0.000 1.280 91 Y CB 0.947 39.410 38.460 0.005 0.000 1.248 91 Y HN 0.138 nan 8.280 nan 0.000 0.508 92 R N -0.068 120.552 120.500 0.200 0.000 2.789 92 R HA 0.192 4.532 4.340 -0.000 0.000 0.166 92 R C -0.399 175.930 176.300 0.048 0.000 0.957 92 R CA 0.003 56.167 56.100 0.108 0.000 1.084 92 R CB 0.188 30.547 30.300 0.098 0.000 1.312 92 R HN 0.312 nan 8.270 nan 0.000 0.546 93 S N 1.407 117.122 115.700 0.024 0.000 2.448 93 S HA 0.461 4.931 4.470 -0.000 0.000 0.320 93 S C -0.377 174.169 174.600 -0.091 0.000 1.071 93 S CA -0.742 57.421 58.200 -0.063 0.000 1.113 93 S CB 1.000 64.201 63.200 0.002 0.000 0.972 93 S HN 0.482 nan 8.310 nan 0.000 0.465 94 C N 2.145 121.329 119.300 -0.193 0.000 3.321 94 C HA 0.745 5.205 4.460 -0.000 0.000 0.329 94 C C -1.502 173.334 174.990 -0.258 0.000 1.394 94 C CA -1.216 57.662 59.018 -0.233 0.000 1.291 94 C CB 0.261 27.744 27.740 -0.429 0.000 1.606 94 C HN 0.755 nan 8.230 nan 0.000 0.463 95 Y N 1.113 121.137 120.300 -0.459 0.000 2.335 95 Y HA 0.808 5.358 4.550 -0.000 0.000 0.338 95 Y C -0.435 175.005 175.900 -0.767 0.000 0.977 95 Y CA -1.075 56.702 58.100 -0.539 0.000 1.114 95 Y CB 0.865 39.113 38.460 -0.354 0.000 1.182 95 Y HN 0.732 nan 8.280 nan 0.000 0.463 96 I N 6.644 126.614 120.570 -1.000 0.000 2.377 96 I HA 0.419 4.589 4.170 -0.000 0.000 0.293 96 I C -0.618 174.991 176.117 -0.846 0.000 0.987 96 I CA -0.898 59.949 61.300 -0.755 0.000 1.185 96 I CB 1.517 39.224 38.000 -0.490 0.000 1.341 96 I HN 0.447 nan 8.210 nan 0.000 0.455 97 R N 8.194 128.379 120.500 -0.524 0.000 2.363 97 R HA 0.501 4.840 4.340 -0.000 0.000 0.297 97 R C -2.900 173.346 176.300 -0.089 0.000 1.208 97 R CA -2.174 53.780 56.100 -0.244 0.000 1.121 97 R CB 0.703 31.012 30.300 0.014 0.000 1.124 97 R HN 0.171 nan 8.270 nan 0.000 0.561 98 P HA 0.265 nan 4.420 nan 0.000 0.279 98 P C -1.400 175.952 177.300 0.086 0.000 1.239 98 P CA -0.575 62.385 63.100 -0.234 0.000 0.789 98 P CB 1.142 32.387 31.700 -0.758 0.000 0.933 99 L N 2.224 123.634 121.223 0.311 0.000 2.464 99 L HA 0.785 5.125 4.340 -0.000 0.000 0.266 99 L C -1.542 175.774 176.870 0.742 0.000 0.965 99 L CA -0.660 54.520 54.840 0.567 0.000 0.833 99 L CB 1.772 44.056 42.059 0.376 0.000 1.296 99 L HN 0.416 nan 8.230 nan 0.000 0.405 100 A N 4.208 127.427 122.820 0.665 0.000 2.330 100 A HA 0.827 5.147 4.320 -0.000 0.000 0.313 100 A C -1.704 176.136 177.584 0.425 0.000 1.124 100 A CA -0.338 51.948 52.037 0.414 0.000 0.774 100 A CB 0.537 19.551 19.000 0.024 0.000 1.198 100 A HN 0.925 nan 8.150 nan 0.000 0.465 101 W N 2.241 123.608 121.300 0.112 0.000 3.033 101 W HA 0.729 5.389 4.660 -0.000 0.000 0.336 101 W C -1.010 175.558 176.519 0.081 0.000 1.173 101 W CA -1.320 56.084 57.345 0.100 0.000 1.185 101 W CB 1.031 30.561 29.460 0.116 0.000 1.425 101 W HN 0.347 nan 8.180 nan 0.000 0.536 102 M N 3.765 123.486 119.600 0.201 0.000 2.217 102 M HA 0.271 4.750 4.480 -0.000 0.000 0.352 102 M C 0.704 177.099 176.300 0.158 0.000 1.376 102 M CA -0.013 55.326 55.300 0.064 0.000 1.107 102 M CB 0.024 32.653 32.600 0.048 0.000 1.723 102 M HN 0.880 nan 8.290 nan 0.000 0.461 103 G N 2.276 111.071 108.800 -0.008 0.000 2.489 103 G HA2 0.464 4.424 3.960 -0.000 0.000 0.271 103 G HA3 0.464 4.424 3.960 -0.000 0.000 0.271 103 G C 0.118 175.104 174.900 0.144 0.000 1.427 103 G CA -0.084 45.061 45.100 0.075 0.000 1.057 103 G HN 0.813 nan 8.290 nan 0.000 0.532 104 A N -1.047 121.840 122.820 0.113 0.000 2.684 104 A HA 0.340 4.660 4.320 -0.000 0.000 0.288 104 A C 1.670 179.286 177.584 0.054 0.000 1.337 104 A CA -0.074 52.017 52.037 0.091 0.000 0.946 104 A CB -0.155 18.898 19.000 0.088 0.000 1.093 104 A HN 0.561 nan 8.150 nan 0.000 0.543 105 K N -0.009 120.416 120.400 0.042 0.000 2.148 105 K HA 0.199 4.519 4.320 -0.000 0.000 0.204 105 K C 0.706 177.326 176.600 0.033 0.000 1.050 105 K CA 1.224 57.525 56.287 0.022 0.000 0.942 105 K CB 0.015 32.515 32.500 0.001 0.000 0.724 105 K HN 0.572 nan 8.250 nan 0.000 0.446 106 A N -0.038 122.820 122.820 0.062 0.000 2.601 106 A HA 0.495 4.815 4.320 -0.000 0.000 0.291 106 A C -0.910 176.762 177.584 0.146 0.000 1.075 106 A CA -0.691 51.391 52.037 0.075 0.000 0.671 106 A CB 0.915 19.952 19.000 0.062 0.000 1.277 106 A HN 0.095 nan 8.150 nan 0.000 0.417 107 L N 1.446 122.739 121.223 0.117 0.000 3.110 107 L HA 0.329 4.668 4.340 -0.000 0.000 0.266 107 L C 1.082 178.082 176.870 0.218 0.000 1.257 107 L CA -0.065 54.871 54.840 0.159 0.000 1.038 107 L CB 0.529 42.559 42.059 -0.048 0.000 1.395 107 L HN 0.890 nan 8.230 nan 0.000 0.566 108 G N -0.504 108.397 108.800 0.168 0.000 2.467 108 G HA2 0.231 4.191 3.960 -0.000 0.000 0.257 108 G HA3 0.231 4.191 3.960 -0.000 0.000 0.257 108 G C 0.928 175.852 174.900 0.039 0.000 1.227 108 G CA -0.317 44.827 45.100 0.073 0.000 0.835 108 G HN -0.066 nan 8.290 nan 0.000 0.556 109 V N 1.836 121.633 119.914 -0.194 0.000 2.469 109 V HA -0.122 3.998 4.120 -0.000 0.000 0.251 109 V C 1.413 177.488 176.094 -0.032 0.000 1.064 109 V CA 1.570 63.616 62.300 -0.424 0.000 1.066 109 V CB -0.520 31.056 31.823 -0.412 0.000 0.667 109 V HN 0.701 nan 8.190 nan 0.000 0.461 110 N N 0.904 119.604 118.700 -0.000 0.000 2.452 110 N HA 0.065 4.805 4.740 -0.000 0.000 0.266 110 N C -1.416 174.073 175.510 -0.035 0.000 1.209 110 N CA -1.361 51.684 53.050 -0.008 0.000 0.929 110 N CB 1.470 39.942 38.487 -0.024 0.000 1.063 110 N HN 0.295 nan 8.380 nan 0.000 0.472 111 P HA -0.016 nan 4.420 nan 0.000 0.235 111 P C 1.595 178.749 177.300 -0.245 0.000 1.177 111 P CA 0.394 63.226 63.100 -0.446 0.000 0.785 111 P CB 0.519 31.976 31.700 -0.405 0.000 0.885 112 L N 0.331 121.473 121.223 -0.135 0.000 2.051 112 L HA -0.137 4.203 4.340 -0.000 0.000 0.214 112 L C -0.295 176.523 176.870 -0.087 0.000 1.076 112 L CA 2.153 56.936 54.840 -0.095 0.000 0.758 112 L CB -2.520 39.501 42.059 -0.064 0.000 0.890 112 L HN 0.068 nan 8.230 nan 0.000 0.433 113 P HA -0.099 nan 4.420 nan 0.000 0.228 113 P C 0.573 177.836 177.300 -0.062 0.000 1.151 113 P CA 1.096 64.164 63.100 -0.054 0.000 0.770 113 P CB -0.071 31.611 31.700 -0.030 0.000 0.786 114 N N -1.905 116.736 118.700 -0.098 0.000 2.412 114 N HA -0.007 4.732 4.740 -0.000 0.000 0.184 114 N C 0.429 175.880 175.510 -0.099 0.000 1.101 114 N CA 0.152 53.146 53.050 -0.093 0.000 0.881 114 N CB -0.487 37.921 38.487 -0.131 0.000 0.969 114 N HN 0.075 nan 8.380 nan 0.000 0.459 115 N N 1.981 120.621 118.700 -0.099 0.000 2.416 115 N HA 0.077 4.817 4.740 -0.000 0.000 0.246 115 N C -2.249 173.208 175.510 -0.088 0.000 1.260 115 N CA -0.485 52.508 53.050 -0.095 0.000 0.897 115 N CB 0.337 38.775 38.487 -0.082 0.000 1.110 115 N HN 0.160 nan 8.380 nan 0.000 0.439 116 P HA 0.210 nan 4.420 nan 0.000 0.278 116 P C -0.994 176.225 177.300 -0.135 0.000 1.258 116 P CA -0.490 62.545 63.100 -0.108 0.000 0.811 116 P CB 0.660 32.292 31.700 -0.114 0.000 1.063 117 A N 1.437 124.176 122.820 -0.136 0.000 2.366 117 A HA 0.188 4.508 4.320 -0.000 0.000 0.249 117 A C 0.351 177.777 177.584 -0.263 0.000 1.084 117 A CA -0.290 51.631 52.037 -0.194 0.000 0.794 117 A CB -0.266 18.649 19.000 -0.142 0.000 1.034 117 A HN 0.566 nan 8.150 nan 0.000 0.491 118 E N -0.346 119.510 120.200 -0.573 0.000 2.277 118 E HA 0.528 4.878 4.350 -0.000 0.000 0.274 118 E C -1.039 175.144 176.600 -0.695 0.000 1.022 118 E CA -0.532 55.405 56.400 -0.772 0.000 0.853 118 E CB 1.622 30.493 29.700 -1.382 0.000 1.086 118 E HN 0.371 nan 8.360 nan 0.000 0.397 119 V N 2.356 122.119 119.914 -0.252 0.000 2.925 119 V HA 0.544 4.664 4.120 -0.000 0.000 0.311 119 V C -0.607 175.677 176.094 0.317 0.000 1.104 119 V CA -0.947 61.456 62.300 0.172 0.000 0.954 119 V CB 1.611 33.645 31.823 0.352 0.000 1.022 119 V HN 0.756 nan 8.190 nan 0.000 0.427 120 M N 3.315 123.235 119.600 0.533 0.000 2.520 120 M HA 0.896 5.376 4.480 -0.000 0.000 0.280 120 M C -2.097 174.416 176.300 0.355 0.000 1.232 120 M CA -0.537 55.042 55.300 0.465 0.000 0.892 120 M CB 2.168 35.027 32.600 0.432 0.000 1.728 120 M HN 0.180 nan 8.290 nan 0.000 0.475 121 V N 2.133 122.223 119.914 0.294 0.000 2.525 121 V HA 0.988 5.108 4.120 -0.000 0.000 0.299 121 V C -0.441 175.734 176.094 0.136 0.000 1.034 121 V CA -0.151 62.200 62.300 0.086 0.000 0.863 121 V CB 1.074 32.819 31.823 -0.130 0.000 0.999 121 V HN 1.214 nan 8.190 nan 0.000 0.423 122 A N 3.838 126.733 122.820 0.125 0.000 2.386 122 A HA 1.086 5.406 4.320 -0.000 0.000 0.308 122 A C -0.368 177.278 177.584 0.103 0.000 1.128 122 A CA -0.184 51.981 52.037 0.213 0.000 0.789 122 A CB 2.086 21.277 19.000 0.319 0.000 1.325 122 A HN 1.671 nan 8.150 nan 0.000 0.437 123 A N -0.550 122.400 122.820 0.216 0.000 2.606 123 A HA 0.841 5.160 4.320 -0.000 0.000 0.293 123 A C -1.651 176.062 177.584 0.215 0.000 1.082 123 A CA -0.221 51.793 52.037 -0.038 0.000 0.685 123 A CB 0.790 19.818 19.000 0.046 0.000 1.284 123 A HN 2.103 nan 8.150 nan 0.000 0.408 124 W N 0.070 121.283 121.300 -0.145 0.000 3.296 124 W HA 0.688 5.347 4.660 -0.000 0.000 0.314 124 W C -0.706 175.520 176.519 -0.488 0.000 1.238 124 W CA -0.701 56.452 57.345 -0.321 0.000 1.193 124 W CB 0.347 29.776 29.460 -0.052 0.000 1.383 124 W HN 0.754 nan 8.180 nan 0.000 0.545 125 E N 2.719 122.696 120.200 -0.371 0.000 2.529 125 E HA -0.125 4.225 4.350 -0.000 0.000 0.259 125 E C 0.085 176.730 176.600 0.074 0.000 0.966 125 E CA 0.212 56.495 56.400 -0.195 0.000 0.937 125 E CB 0.946 30.625 29.700 -0.035 0.000 0.923 125 E HN 0.474 nan 8.360 nan 0.000 0.468 135 V N 1.592 121.523 119.914 0.028 0.000 2.407 135 V HA -0.053 4.067 4.120 -0.000 0.000 0.248 135 V C 2.810 178.916 176.094 0.020 0.000 1.055 135 V CA 3.742 66.058 62.300 0.028 0.000 1.049 135 V CB -0.944 30.896 31.823 0.029 0.000 0.662 135 V HN 0.960 nan 8.190 nan 0.000 0.455 136 R N 0.052 120.563 120.500 0.018 0.000 2.092 136 R HA -0.059 4.281 4.340 -0.000 0.000 0.231 136 R C 2.374 178.685 176.300 0.018 0.000 1.119 136 R CA 2.262 58.371 56.100 0.015 0.000 0.970 136 R CB -1.545 28.763 30.300 0.015 0.000 0.864 136 R HN 0.717 nan 8.270 nan 0.000 0.440 137 K N -0.287 120.125 120.400 0.019 0.000 2.063 137 K HA 0.263 4.583 4.320 -0.000 0.000 0.208 137 K C 1.672 178.284 176.600 0.020 0.000 1.048 137 K CA 1.617 57.916 56.287 0.020 0.000 0.928 137 K CB -1.199 31.312 32.500 0.019 0.000 0.713 137 K HN 2.034 nan 8.250 nan 0.000 0.442 138 G N -2.038 106.775 108.800 0.022 0.000 2.675 138 G HA2 0.457 4.417 3.960 -0.000 0.000 0.686 138 G HA3 0.457 4.417 3.960 -0.000 0.000 0.686 138 G C -0.034 174.877 174.900 0.018 0.000 1.215 138 G CA 0.036 45.152 45.100 0.025 0.000 0.777 138 G HN 1.429 nan 8.290 nan 0.000 0.638 139 A N 1.509 124.343 122.820 0.023 0.000 2.340 139 A HA 0.829 5.149 4.320 -0.000 0.000 0.268 139 A C 0.774 178.346 177.584 -0.019 0.000 1.100 139 A CA -0.085 51.957 52.037 0.008 0.000 0.803 139 A CB 0.571 19.586 19.000 0.025 0.000 1.043 139 A HN 0.863 nan 8.150 nan 0.000 0.488 140 R N 1.272 121.738 120.500 -0.057 0.000 2.387 140 R HA 0.604 4.944 4.340 -0.000 0.000 0.314 140 R C -1.109 175.108 176.300 -0.137 0.000 0.958 140 R CA -0.343 55.682 56.100 -0.125 0.000 0.846 140 R CB 1.243 31.424 30.300 -0.198 0.000 1.147 140 R HN 0.646 nan 8.270 nan 0.000 0.447 141 L N 3.671 124.811 121.223 -0.139 0.000 2.319 141 L HA 0.669 5.009 4.340 -0.000 0.000 0.267 141 L C -0.225 176.547 176.870 -0.162 0.000 1.011 141 L CA -1.103 53.671 54.840 -0.109 0.000 0.818 141 L CB 1.751 43.784 42.059 -0.043 0.000 1.316 141 L HN 0.488 nan 8.230 nan 0.000 0.432 142 I N 0.160 120.668 120.570 -0.104 0.000 2.569 142 I HA 0.208 4.378 4.170 -0.000 0.000 0.290 142 I C -0.327 175.788 176.117 -0.003 0.000 1.088 142 I CA -0.409 60.845 61.300 -0.078 0.000 1.047 142 I CB 2.607 40.566 38.000 -0.068 0.000 1.237 142 I HN 0.540 nan 8.210 nan 0.000 0.421 143 T N 3.903 118.473 114.554 0.027 0.000 2.834 143 T HA 0.053 4.403 4.350 -0.000 0.000 0.298 143 T C 0.285 175.010 174.700 0.041 0.000 0.966 143 T CA 0.187 62.304 62.100 0.029 0.000 1.141 143 T CB 0.808 69.695 68.868 0.033 0.000 0.905 143 T HN 0.574 nan 8.240 nan 0.000 0.535 144 S N 1.715 117.443 115.700 0.046 0.000 2.592 144 S HA 0.179 4.648 4.470 -0.000 0.000 0.271 144 S C 1.454 176.083 174.600 0.048 0.000 1.326 144 S CA -0.491 57.760 58.200 0.085 0.000 1.024 144 S CB 0.445 63.724 63.200 0.132 0.000 0.921 144 S HN 0.789 nan 8.310 nan 0.000 0.527 145 S N 2.349 118.064 115.700 0.025 0.000 2.575 145 S HA 0.181 4.651 4.470 -0.000 0.000 0.215 145 S C -0.383 174.042 174.600 -0.291 0.000 0.966 145 S CA -0.587 57.528 58.200 -0.142 0.000 0.911 145 S CB -0.272 62.800 63.200 -0.213 0.000 0.780 145 S HN 0.658 nan 8.310 nan 0.000 0.514 146 W N 1.834 123.122 121.300 -0.020 0.000 2.376 146 W HA 0.741 5.401 4.660 -0.000 0.000 0.312 146 W C 0.184 176.668 176.519 -0.058 0.000 1.060 146 W CA -0.845 56.482 57.345 -0.030 0.000 1.221 146 W CB 1.113 30.556 29.460 -0.028 0.000 1.281 146 W HN 0.169 nan 8.180 nan 0.000 0.456 147 A N 3.479 126.372 122.820 0.122 0.000 2.340 147 A HA 0.648 4.968 4.320 -0.000 0.000 0.268 147 A C -0.004 177.565 177.584 -0.026 0.000 1.100 147 A CA -0.697 51.359 52.037 0.032 0.000 0.803 147 A CB 0.478 19.486 19.000 0.015 0.000 1.043 147 A HN 0.619 nan 8.150 nan 0.000 0.488 148 R N 0.994 121.415 120.500 -0.131 0.000 2.537 148 R HA 0.344 4.684 4.340 -0.000 0.000 0.280 148 R C -0.608 175.532 176.300 -0.266 0.000 1.058 148 R CA -0.376 55.495 56.100 -0.380 0.000 1.057 148 R CB -0.476 29.628 30.300 -0.326 0.000 0.973 148 R HN 0.545 nan 8.270 nan 0.000 0.438 149 F N 3.521 123.490 119.950 0.032 0.000 2.607 149 F HA 0.314 4.841 4.527 -0.000 0.000 0.374 149 F C -1.881 173.932 175.800 0.023 0.000 1.104 149 F CA -2.851 55.167 58.000 0.032 0.000 1.296 149 F CB -0.764 38.248 39.000 0.019 0.000 1.085 149 F HN 0.433 nan 8.300 nan 0.000 0.584 150 P HA 0.130 nan 4.420 nan 0.000 0.270 150 P C 0.282 177.675 177.300 0.155 0.000 1.223 150 P CA 0.159 63.351 63.100 0.154 0.000 0.785 150 P CB 0.780 32.542 31.700 0.104 0.000 0.923 151 A N 2.249 125.131 122.820 0.104 0.000 2.216 151 A HA -0.137 4.183 4.320 -0.000 0.000 0.214 151 A C 1.118 178.722 177.584 0.033 0.000 1.160 151 A CA 1.264 53.343 52.037 0.070 0.000 0.725 151 A CB -1.105 17.925 19.000 0.050 0.000 0.784 151 A HN 0.687 nan 8.150 nan 0.000 0.472 152 N N -1.050 117.672 118.700 0.037 0.000 2.235 152 N HA 0.147 4.887 4.740 -0.000 0.000 0.231 152 N C 0.394 175.913 175.510 0.015 0.000 1.177 152 N CA 0.567 53.628 53.050 0.017 0.000 0.874 152 N CB 0.279 38.778 38.487 0.019 0.000 1.097 152 N HN 0.137 nan 8.380 nan 0.000 0.518 153 V N -0.614 119.312 119.914 0.020 0.000 2.996 153 V HA 0.393 4.513 4.120 -0.000 0.000 0.235 153 V C 0.302 176.358 176.094 -0.063 0.000 1.205 153 V CA 0.735 63.045 62.300 0.017 0.000 1.225 153 V CB 0.196 32.071 31.823 0.086 0.000 0.995 153 V HN 0.173 nan 8.190 nan 0.000 0.484 154 M N 1.429 120.930 119.600 -0.166 0.000 2.433 154 M HA 0.431 4.911 4.480 -0.000 0.000 0.290 154 M C -3.075 172.989 176.300 -0.394 0.000 1.173 154 M CA -1.858 53.191 55.300 -0.418 0.000 0.905 154 M CB 2.058 34.068 32.600 -0.983 0.000 1.692 154 M HN -0.061 nan 8.290 nan 0.000 0.462 155 P HA 0.161 nan 4.420 nan 0.000 0.260 155 P C 0.804 178.001 177.300 -0.172 0.000 1.651 155 P CA 0.119 63.114 63.100 -0.175 0.000 1.139 155 P CB -0.195 31.435 31.700 -0.117 0.000 1.756 156 G N 3.856 112.612 108.800 -0.073 0.000 2.498 156 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.219 156 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.219 156 G C 1.330 176.276 174.900 0.076 0.000 1.119 156 G CA 0.263 45.441 45.100 0.129 0.000 0.766 156 G HN 0.313 nan 8.290 nan 0.000 0.552 157 K N 0.371 120.777 120.400 0.010 0.000 2.418 157 K HA 0.289 4.609 4.320 -0.000 0.000 0.195 157 K C 0.976 177.563 176.600 -0.021 0.000 1.035 157 K CA 0.351 56.628 56.287 -0.017 0.000 1.003 157 K CB 0.367 32.840 32.500 -0.045 0.000 0.793 157 K HN 0.308 nan 8.250 nan 0.000 0.494 158 A N 1.181 123.988 122.820 -0.022 0.000 2.330 158 A HA 0.443 4.763 4.320 -0.000 0.000 0.329 158 A C -0.530 177.052 177.584 -0.004 0.000 1.135 158 A CA -0.646 51.373 52.037 -0.029 0.000 0.817 158 A CB 0.927 19.899 19.000 -0.048 0.000 1.269 158 A HN 0.019 nan 8.150 nan 0.000 0.469 159 K N 1.603 121.973 120.400 -0.050 0.000 2.363 159 K HA 0.346 4.666 4.320 -0.000 0.000 0.240 159 K C -0.978 175.595 176.600 -0.046 0.000 1.169 159 K CA -0.118 56.109 56.287 -0.100 0.000 1.131 159 K CB 0.491 32.670 32.500 -0.536 0.000 1.771 159 K HN 0.386 nan 8.250 nan 0.000 0.380 160 V N 1.412 121.405 119.914 0.132 0.000 2.498 160 V HA 0.054 4.174 4.120 -0.000 0.000 0.279 160 V C 1.761 178.080 176.094 0.374 0.000 1.048 160 V CA 0.079 62.480 62.300 0.168 0.000 0.967 160 V CB 1.286 33.146 31.823 0.062 0.000 0.988 160 V HN 0.855 nan 8.190 nan 0.000 0.473 161 G N 4.313 113.342 108.800 0.383 0.000 2.599 161 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.219 161 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.219 161 G C 1.581 176.707 174.900 0.377 0.000 1.193 161 G CA 1.150 46.501 45.100 0.417 0.000 0.778 161 G HN 0.985 nan 8.290 nan 0.000 0.589 162 G N 0.961 109.906 108.800 0.242 0.000 2.475 162 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.220 162 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.220 162 G C 1.734 176.725 174.900 0.152 0.000 1.125 162 G CA 1.311 46.512 45.100 0.169 0.000 0.755 162 G HN 0.449 nan 8.290 nan 0.000 0.565 163 N N 0.245 119.019 118.700 0.123 0.000 2.137 163 N HA -0.121 4.618 4.740 -0.000 0.000 0.190 163 N C 1.521 177.101 175.510 0.116 0.000 1.017 163 N CA 0.899 53.955 53.050 0.010 0.000 0.859 163 N CB -0.531 37.871 38.487 -0.140 0.000 1.002 163 N HN 0.479 nan 8.380 nan 0.000 0.428 164 Y N 0.088 120.534 120.300 0.243 0.000 2.680 164 Y HA 0.039 4.589 4.550 -0.000 0.000 0.303 164 Y C 1.965 177.927 175.900 0.103 0.000 1.166 164 Y CA -0.035 58.188 58.100 0.204 0.000 1.344 164 Y CB -0.247 38.351 38.460 0.230 0.000 1.002 164 Y HN -0.123 nan 8.280 nan 0.000 0.537 165 V N 0.170 120.171 119.914 0.146 0.000 2.453 165 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 165 V C 2.401 178.449 176.094 -0.075 0.000 1.048 165 V CA 1.841 64.158 62.300 0.027 0.000 1.049 165 V CB -0.412 31.422 31.823 0.018 0.000 0.672 165 V HN 0.569 nan 8.190 nan 0.000 0.457 166 N N 0.129 118.824 118.700 -0.007 0.000 2.084 166 N HA -0.160 4.580 4.740 -0.000 0.000 0.190 166 N C 1.933 177.355 175.510 -0.148 0.000 1.030 166 N CA 1.881 54.877 53.050 -0.090 0.000 0.849 166 N CB 0.067 38.574 38.487 0.034 0.000 1.012 166 N HN 0.423 nan 8.380 nan 0.000 0.423 167 S N 0.673 116.322 115.700 -0.085 0.000 2.368 167 S HA -0.036 4.434 4.470 -0.000 0.000 0.225 167 S C 2.149 176.737 174.600 -0.020 0.000 1.030 167 S CA 1.084 59.256 58.200 -0.046 0.000 0.999 167 S CB -0.362 62.855 63.200 0.028 0.000 0.844 167 S HN 0.571 nan 8.310 nan 0.000 0.459 168 A N 1.536 124.351 122.820 -0.008 0.000 1.908 168 A HA -0.048 4.272 4.320 -0.000 0.000 0.218 168 A C 2.130 179.637 177.584 -0.128 0.000 1.181 168 A CA 1.258 53.275 52.037 -0.035 0.000 0.627 168 A CB -0.806 18.180 19.000 -0.024 0.000 0.818 168 A HN 0.447 nan 8.150 nan 0.000 0.445 169 L N -0.866 120.187 121.223 -0.283 0.000 2.046 169 L HA -0.213 4.126 4.340 -0.000 0.000 0.208 169 L C 3.104 179.799 176.870 -0.292 0.000 1.077 169 L CA 1.170 55.717 54.840 -0.488 0.000 0.747 169 L CB -0.526 40.797 42.059 -1.228 0.000 0.896 169 L HN 0.448 nan 8.230 nan 0.000 0.432 170 A N -0.090 122.619 122.820 -0.186 0.000 1.873 170 A HA -0.230 4.090 4.320 -0.000 0.000 0.215 170 A C 2.297 179.898 177.584 0.029 0.000 1.186 170 A CA 1.855 53.904 52.037 0.019 0.000 0.616 170 A CB -0.385 18.632 19.000 0.028 0.000 0.823 170 A HN 0.214 nan 8.150 nan 0.000 0.442 171 K N -0.087 120.314 120.400 0.002 0.000 2.026 171 K HA -0.047 4.273 4.320 -0.000 0.000 0.208 171 K C 1.973 178.583 176.600 0.018 0.000 1.048 171 K CA 1.997 58.295 56.287 0.018 0.000 0.929 171 K CB -0.471 32.043 32.500 0.022 0.000 0.713 171 K HN 0.484 nan 8.250 nan 0.000 0.439 172 M N 0.321 119.923 119.600 0.003 0.000 2.108 172 M HA -0.190 4.289 4.480 -0.000 0.000 0.261 172 M C 2.254 178.580 176.300 0.045 0.000 1.066 172 M CA 2.013 57.320 55.300 0.012 0.000 1.107 172 M CB -0.428 32.169 32.600 -0.005 0.000 1.356 172 M HN 0.356 nan 8.290 nan 0.000 0.406 173 E N 0.545 120.789 120.200 0.073 0.000 2.051 173 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 173 E C 1.949 178.605 176.600 0.092 0.000 0.991 173 E CA 1.358 57.828 56.400 0.116 0.000 0.799 173 E CB 0.021 29.839 29.700 0.198 0.000 0.748 173 E HN 0.457 nan 8.360 nan 0.000 0.449 174 A N 0.674 123.538 122.820 0.072 0.000 1.877 174 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 174 A C 2.429 180.037 177.584 0.041 0.000 1.186 174 A CA 1.554 53.620 52.037 0.049 0.000 0.620 174 A CB -0.729 18.287 19.000 0.028 0.000 0.822 174 A HN 0.237 nan 8.150 nan 0.000 0.443 175 V N -0.156 119.779 119.914 0.036 0.000 2.343 175 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 175 V C 3.043 179.166 176.094 0.047 0.000 1.051 175 V CA 1.883 64.202 62.300 0.031 0.000 1.036 175 V CB -1.206 30.629 31.823 0.019 0.000 0.654 175 V HN 0.611 nan 8.190 nan 0.000 0.451 176 A N -0.080 122.772 122.820 0.055 0.000 2.019 176 A HA -0.064 4.256 4.320 -0.000 0.000 0.219 176 A C 2.225 179.861 177.584 0.087 0.000 1.164 176 A CA 1.845 53.920 52.037 0.063 0.000 0.644 176 A CB -0.546 18.492 19.000 0.063 0.000 0.805 176 A HN 0.599 nan 8.150 nan 0.000 0.449 177 A N -2.051 120.833 122.820 0.107 0.000 2.238 177 A HA 0.414 4.734 4.320 -0.000 0.000 0.208 177 A C 1.762 179.482 177.584 0.227 0.000 1.177 177 A CA 1.200 53.338 52.037 0.168 0.000 0.804 177 A CB -0.774 18.332 19.000 0.178 0.000 0.823 177 A HN 1.848 nan 8.150 nan 0.000 0.482 178 G N -2.375 106.512 108.800 0.145 0.000 2.157 178 G HA2 0.124 4.083 3.960 -0.000 0.000 0.239 178 G HA3 0.124 4.083 3.960 -0.000 0.000 0.239 178 G C 0.394 175.322 174.900 0.046 0.000 0.982 178 G CA 0.323 45.512 45.100 0.148 0.000 0.650 178 G HN 1.501 nan 8.290 nan 0.000 0.527 179 A N -0.426 122.382 122.820 -0.019 0.000 2.248 179 A HA 0.725 5.045 4.320 -0.000 0.000 0.316 179 A C 1.015 178.570 177.584 -0.048 0.000 1.101 179 A CA 0.456 52.428 52.037 -0.108 0.000 0.875 179 A CB 0.670 19.575 19.000 -0.159 0.000 1.207 179 A HN 0.036 nan 8.150 nan 0.000 0.504 180 D N -0.851 119.516 120.400 -0.055 0.000 2.240 180 D HA 0.124 4.764 4.640 -0.000 0.000 0.206 180 D C 0.159 176.455 176.300 -0.006 0.000 0.963 180 D CA 1.207 55.194 54.000 -0.021 0.000 0.863 180 D CB 0.514 41.304 40.800 -0.016 0.000 0.973 180 D HN 0.574 nan 8.370 nan 0.000 0.501 181 E N -0.649 119.543 120.200 -0.013 0.000 2.412 181 E HA 0.555 4.905 4.350 -0.000 0.000 0.279 181 E C -1.772 174.827 176.600 -0.001 0.000 0.984 181 E CA -0.839 55.565 56.400 0.006 0.000 0.788 181 E CB 1.784 31.497 29.700 0.022 0.000 1.277 181 E HN -0.065 nan 8.360 nan 0.000 0.455 182 A N 2.375 125.204 122.820 0.015 0.000 2.295 182 A HA 0.720 5.040 4.320 -0.000 0.000 0.318 182 A C -1.054 176.537 177.584 0.011 0.000 1.134 182 A CA -0.653 51.394 52.037 0.017 0.000 0.827 182 A CB 0.531 19.552 19.000 0.035 0.000 1.136 182 A HN 0.591 nan 8.150 nan 0.000 0.493 183 L N 2.456 123.682 121.223 0.006 0.000 2.319 183 L HA 0.632 4.972 4.340 -0.000 0.000 0.281 183 L C -1.700 175.165 176.870 -0.008 0.000 1.005 183 L CA -0.713 54.124 54.840 -0.006 0.000 0.828 183 L CB 1.030 43.081 42.059 -0.015 0.000 1.227 183 L HN 0.615 nan 8.230 nan 0.000 0.415 184 L N 5.389 126.600 121.223 -0.021 0.000 2.334 184 L HA 0.529 4.869 4.340 -0.000 0.000 0.275 184 L C -0.257 176.590 176.870 -0.039 0.000 1.036 184 L CA -0.080 54.744 54.840 -0.027 0.000 0.807 184 L CB 1.635 43.658 42.059 -0.059 0.000 1.231 184 L HN 0.529 nan 8.230 nan 0.000 0.438 185 L N 1.049 122.252 121.223 -0.033 0.000 2.352 185 L HA 0.501 4.840 4.340 -0.000 0.000 0.269 185 L C -0.363 176.494 176.870 -0.022 0.000 1.034 185 L CA -1.141 53.680 54.840 -0.030 0.000 0.806 185 L CB 1.563 43.596 42.059 -0.044 0.000 1.244 185 L HN 0.641 nan 8.230 nan 0.000 0.447 186 D N -0.590 119.815 120.400 0.009 0.000 2.411 186 D HA 0.008 4.648 4.640 -0.000 0.000 0.251 186 D C 0.629 176.944 176.300 0.025 0.000 1.201 186 D CA -0.503 53.508 54.000 0.018 0.000 0.996 186 D CB 0.694 41.525 40.800 0.053 0.000 1.101 186 D HN 0.479 nan 8.370 nan 0.000 0.504 187 E N -0.903 119.317 120.200 0.033 0.000 2.265 187 E HA -0.176 4.174 4.350 -0.000 0.000 0.196 187 E C 1.089 177.705 176.600 0.027 0.000 0.996 187 E CA 1.124 57.541 56.400 0.027 0.000 0.832 187 E CB -0.046 29.678 29.700 0.040 0.000 0.756 187 E HN 0.477 nan 8.360 nan 0.000 0.491 188 E N -1.647 118.591 120.200 0.063 0.000 2.435 188 E HA 0.194 4.544 4.350 -0.000 0.000 0.195 188 E C 1.145 177.738 176.600 -0.011 0.000 1.029 188 E CA 0.717 57.164 56.400 0.078 0.000 0.865 188 E CB 0.407 30.226 29.700 0.199 0.000 0.833 188 E HN 0.312 nan 8.360 nan 0.000 0.510 189 G N -0.851 107.925 108.800 -0.039 0.000 2.184 189 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.206 189 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.206 189 G C -0.190 174.559 174.900 -0.251 0.000 0.995 189 G CA -0.294 44.706 45.100 -0.167 0.000 0.651 189 G HN 0.215 nan 8.290 nan 0.000 0.511 190 Y N 0.100 120.363 120.300 -0.063 0.000 2.316 190 Y HA 0.531 5.081 4.550 -0.000 0.000 0.324 190 Y C 1.282 177.131 175.900 -0.085 0.000 1.267 190 Y CA -0.666 57.387 58.100 -0.078 0.000 1.311 190 Y CB 1.163 39.586 38.460 -0.063 0.000 1.267 190 Y HN 0.042 nan 8.280 nan 0.000 0.516 191 V N 2.427 122.379 119.914 0.064 0.000 2.655 191 V HA 0.162 4.282 4.120 -0.000 0.000 0.300 191 V C 0.509 176.607 176.094 0.007 0.000 1.044 191 V CA 0.765 63.059 62.300 -0.011 0.000 1.095 191 V CB 0.512 32.300 31.823 -0.058 0.000 0.952 191 V HN 1.044 nan 8.190 nan 0.000 0.485 192 A N 4.354 127.162 122.820 -0.020 0.000 2.213 192 A HA 0.546 4.865 4.320 -0.000 0.000 0.220 192 A C 0.484 178.044 177.584 -0.039 0.000 2.232 192 A CA 0.592 52.611 52.037 -0.029 0.000 1.017 192 A CB 0.300 19.270 19.000 -0.050 0.000 1.372 192 A HN 0.896 nan 8.150 nan 0.000 0.614 193 E N -2.279 117.894 120.200 -0.045 0.000 2.442 193 E HA 0.504 4.854 4.350 -0.000 0.000 0.278 193 E C -0.045 176.543 176.600 -0.021 0.000 1.082 193 E CA -0.647 55.736 56.400 -0.029 0.000 0.861 193 E CB 0.423 30.113 29.700 -0.017 0.000 1.462 193 E HN 0.529 nan 8.360 nan 0.000 0.458 194 G N -0.164 108.640 108.800 0.007 0.000 2.616 194 G HA2 0.262 4.222 3.960 -0.000 0.000 0.268 194 G HA3 0.262 4.222 3.960 -0.000 0.000 0.268 194 G C 0.853 175.766 174.900 0.021 0.000 1.213 194 G CA -0.010 45.102 45.100 0.020 0.000 0.926 194 G HN 0.599 nan 8.290 nan 0.000 0.523 195 S N -1.378 114.342 115.700 0.033 0.000 2.442 195 S HA 0.074 4.544 4.470 -0.000 0.000 0.236 195 S C 1.551 176.219 174.600 0.113 0.000 1.007 195 S CA 1.238 59.462 58.200 0.041 0.000 0.965 195 S CB 0.077 63.308 63.200 0.052 0.000 0.773 195 S HN 1.318 nan 8.310 nan 0.000 0.504 196 G N 1.005 109.888 108.800 0.138 0.000 4.765 196 G HA2 0.441 4.401 3.960 -0.000 0.000 0.276 196 G HA3 0.441 4.401 3.960 -0.000 0.000 0.276 196 G C -0.391 174.616 174.900 0.179 0.000 0.986 196 G CA -0.288 44.940 45.100 0.214 0.000 0.755 196 G HN 0.534 nan 8.290 nan 0.000 0.391 197 E N -0.205 120.071 120.200 0.128 0.000 2.423 197 E HA 0.241 4.591 4.350 -0.000 0.000 0.280 197 E C -1.526 175.126 176.600 0.087 0.000 1.030 197 E CA -0.879 55.592 56.400 0.118 0.000 0.812 197 E CB 0.591 30.361 29.700 0.115 0.000 1.313 197 E HN 0.035 nan 8.360 nan 0.000 0.456 198 N N -0.161 118.597 118.700 0.096 0.000 2.476 198 N HA 0.502 5.242 4.740 -0.000 0.000 0.275 198 N C -0.658 174.884 175.510 0.053 0.000 1.190 198 N CA -0.665 52.416 53.050 0.052 0.000 0.977 198 N CB 0.876 39.393 38.487 0.051 0.000 1.200 198 N HN 0.240 nan 8.380 nan 0.000 0.515 199 L N 1.535 122.722 121.223 -0.060 0.000 2.354 199 L HA 0.588 4.928 4.340 -0.000 0.000 0.269 199 L C -1.065 175.657 176.870 -0.246 0.000 1.005 199 L CA -0.352 54.450 54.840 -0.063 0.000 0.819 199 L CB 1.020 43.052 42.059 -0.045 0.000 1.311 199 L HN 0.557 nan 8.230 nan 0.000 0.423 200 F N 1.937 121.622 119.950 -0.442 0.000 2.629 200 F HA 0.661 5.188 4.527 -0.000 0.000 0.316 200 F C -0.163 175.433 175.800 -0.341 0.000 1.081 200 F CA -0.785 56.867 58.000 -0.582 0.000 0.954 200 F CB 2.077 40.239 39.000 -1.398 0.000 1.337 200 F HN 0.328 nan 8.300 nan 0.000 0.474 201 F N -0.780 119.158 119.950 -0.020 0.000 2.645 201 F HA 0.906 5.433 4.527 -0.000 0.000 0.310 201 F C -2.115 173.835 175.800 0.249 0.000 1.102 201 F CA -1.392 56.655 58.000 0.078 0.000 0.952 201 F CB 1.132 40.151 39.000 0.033 0.000 1.326 201 F HN 0.214 nan 8.300 nan 0.000 0.456 202 V N 2.175 122.318 119.914 0.381 0.000 2.656 202 V HA 0.802 4.922 4.120 -0.000 0.000 0.307 202 V C -1.008 175.308 176.094 0.370 0.000 1.051 202 V CA -0.659 61.810 62.300 0.282 0.000 0.893 202 V CB 1.735 33.676 31.823 0.197 0.000 0.999 202 V HN 0.873 nan 8.190 nan 0.000 0.426 203 R N 2.672 123.404 120.500 0.388 0.000 2.510 203 R HA 0.497 4.837 4.340 -0.000 0.000 0.287 203 R C -0.914 175.553 176.300 0.280 0.000 1.084 203 R CA -0.257 56.052 56.100 0.348 0.000 0.934 203 R CB 0.776 31.312 30.300 0.393 0.000 1.201 203 R HN 0.736 nan 8.270 nan 0.000 0.431 204 D N 3.792 124.306 120.400 0.190 0.000 2.708 204 D HA -0.177 4.463 4.640 -0.000 0.000 0.236 204 D C 0.712 177.092 176.300 0.135 0.000 1.146 204 D CA 2.125 56.213 54.000 0.147 0.000 0.662 204 D CB -1.104 39.781 40.800 0.143 0.000 1.059 204 D HN 1.066 nan 8.370 nan 0.000 0.428 205 G N -2.337 106.544 108.800 0.135 0.000 2.184 205 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.264 205 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.264 205 G C 0.409 175.381 174.900 0.119 0.000 0.975 205 G CA 0.395 45.581 45.100 0.142 0.000 0.642 205 G HN 0.651 nan 8.290 nan 0.000 0.536 206 V N 1.875 121.822 119.914 0.055 0.000 2.427 206 V HA 0.560 4.680 4.120 -0.000 0.000 0.286 206 V C 0.819 176.737 176.094 -0.293 0.000 1.034 206 V CA -0.727 61.490 62.300 -0.139 0.000 0.893 206 V CB 1.745 33.404 31.823 -0.272 0.000 0.982 206 V HN 0.294 nan 8.190 nan 0.000 0.452 207 I N 4.948 125.323 120.570 -0.325 0.000 2.342 207 I HA 0.317 4.487 4.170 -0.000 0.000 0.291 207 I C -1.006 174.810 176.117 -0.502 0.000 1.010 207 I CA -0.252 60.895 61.300 -0.255 0.000 1.308 207 I CB 0.696 38.644 38.000 -0.088 0.000 1.400 207 I HN 0.535 nan 8.210 nan 0.000 0.488 208 Y N 5.248 125.331 120.300 -0.361 0.000 2.356 208 Y HA 0.560 5.110 4.550 -0.000 0.000 0.334 208 Y C 0.471 176.110 175.900 -0.435 0.000 0.958 208 Y CA -0.720 57.041 58.100 -0.566 0.000 1.196 208 Y CB 1.476 39.113 38.460 -1.373 0.000 1.137 208 Y HN 0.587 nan 8.280 nan 0.000 0.485 209 A N 3.782 126.466 122.820 -0.226 0.000 2.310 209 A HA 0.634 4.954 4.320 -0.000 0.000 0.299 209 A C -0.787 176.548 177.584 -0.415 0.000 1.147 209 A CA -0.549 51.130 52.037 -0.595 0.000 0.818 209 A CB 0.448 19.143 19.000 -0.508 0.000 1.096 209 A HN 0.678 nan 8.150 nan 0.000 0.495 210 L N 1.848 122.788 121.223 -0.472 0.000 2.371 210 L HA 0.219 4.559 4.340 -0.000 0.000 0.272 210 L C 0.937 177.636 176.870 -0.285 0.000 1.124 210 L CA 0.415 55.105 54.840 -0.250 0.000 0.816 210 L CB 0.507 42.458 42.059 -0.180 0.000 1.129 210 L HN 0.801 nan 8.230 nan 0.000 0.448 211 E N 1.850 121.926 120.200 -0.206 0.000 2.442 211 E HA -0.066 4.284 4.350 -0.000 0.000 0.260 211 E C 0.596 177.076 176.600 -0.200 0.000 1.148 211 E CA -0.167 56.093 56.400 -0.234 0.000 0.976 211 E CB 0.367 29.982 29.700 -0.142 0.000 0.967 211 E HN 0.472 nan 8.360 nan 0.000 0.454 212 H N 1.067 120.095 119.070 -0.070 0.000 2.423 212 H HA -0.143 4.413 4.556 -0.000 0.000 0.297 212 H C 1.822 177.128 175.328 -0.037 0.000 1.075 212 H CA 1.156 57.173 56.048 -0.052 0.000 1.342 212 H CB -0.294 29.448 29.762 -0.035 0.000 1.395 212 H HN 0.711 nan 8.280 nan 0.000 0.530 213 S N 0.344 116.086 115.700 0.070 0.000 4.135 213 S HA -0.328 4.142 4.470 -0.000 0.000 0.538 213 S C 1.750 176.385 174.600 0.058 0.000 1.522 213 S CA 2.949 61.168 58.200 0.031 0.000 3.869 213 S CB -1.470 61.725 63.200 -0.009 0.000 1.628 213 S HN 0.383 nan 8.310 nan 0.000 0.492 214 V N -0.011 119.937 119.914 0.056 0.000 3.596 214 V HA 0.425 4.545 4.120 -0.000 0.000 0.289 214 V C 0.596 176.756 176.094 0.110 0.000 1.336 214 V CA -0.012 62.345 62.300 0.095 0.000 1.137 214 V CB -1.206 30.682 31.823 0.108 0.000 0.966 214 V HN 0.598 nan 8.190 nan 0.000 0.428 215 N N 0.952 119.698 118.700 0.077 0.000 2.413 215 N HA 0.450 5.190 4.740 -0.000 0.000 0.266 215 N C -0.596 174.962 175.510 0.080 0.000 1.238 215 N CA -0.530 52.564 53.050 0.072 0.000 0.972 215 N CB 1.645 40.163 38.487 0.051 0.000 1.210 215 N HN 0.269 nan 8.380 nan 0.000 0.547 216 L N 0.631 121.900 121.223 0.076 0.000 2.371 216 L HA 0.120 4.460 4.340 -0.000 0.000 0.272 216 L C 0.253 177.146 176.870 0.038 0.000 1.124 216 L CA 0.083 54.955 54.840 0.054 0.000 0.816 216 L CB 0.304 42.414 42.059 0.084 0.000 1.129 216 L HN 0.409 nan 8.230 nan 0.000 0.448 217 E N 4.197 124.366 120.200 -0.052 0.000 1.814 217 E HA 0.210 4.559 4.350 -0.000 0.000 0.264 217 E C 0.168 176.768 176.600 0.000 0.000 1.179 217 E CA -0.230 56.115 56.400 -0.092 0.000 0.972 217 E CB 0.117 29.605 29.700 -0.353 0.000 1.077 217 E HN 0.850 nan 8.360 nan 0.000 0.417 218 G N 2.187 111.028 108.800 0.068 0.000 2.353 218 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.239 218 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.239 218 G C 0.792 175.710 174.900 0.030 0.000 1.295 218 G CA -0.298 44.841 45.100 0.065 0.000 0.884 218 G HN 0.559 nan 8.290 nan 0.000 0.537 219 I N 1.348 121.904 120.570 -0.023 0.000 2.617 219 I HA -0.103 4.067 4.170 -0.000 0.000 0.256 219 I C 2.702 178.808 176.117 -0.018 0.000 1.167 219 I CA 0.968 62.206 61.300 -0.102 0.000 1.469 219 I CB 0.007 37.828 38.000 -0.300 0.000 1.098 219 I HN 0.505 nan 8.210 nan 0.000 0.436 220 T N 0.307 114.897 114.554 0.060 0.000 2.857 220 T HA -0.152 4.198 4.350 -0.000 0.000 0.266 220 T C 1.979 176.702 174.700 0.039 0.000 1.048 220 T CA 0.955 63.074 62.100 0.031 0.000 1.139 220 T CB -0.228 68.621 68.868 -0.032 0.000 0.874 220 T HN 0.310 nan 8.240 nan 0.000 0.455 221 R N 1.302 121.886 120.500 0.141 0.000 2.083 221 R HA -0.181 4.159 4.340 -0.000 0.000 0.237 221 R C 2.164 178.619 176.300 0.259 0.000 1.137 221 R CA 2.240 58.532 56.100 0.320 0.000 0.951 221 R CB -0.502 29.939 30.300 0.236 0.000 0.851 221 R HN 0.389 nan 8.270 nan 0.000 0.434 222 D N -0.378 120.102 120.400 0.133 0.000 2.104 222 D HA -0.132 4.507 4.640 -0.000 0.000 0.194 222 D C 1.678 178.034 176.300 0.093 0.000 0.994 222 D CA 2.026 56.087 54.000 0.103 0.000 0.830 222 D CB 0.044 40.862 40.800 0.029 0.000 0.959 222 D HN 0.215 nan 8.370 nan 0.000 0.452 223 S N -0.803 114.886 115.700 -0.018 0.000 2.368 223 S HA -0.132 4.338 4.470 -0.000 0.000 0.225 223 S C 2.192 176.862 174.600 0.117 0.000 1.030 223 S CA 0.963 59.115 58.200 -0.080 0.000 0.999 223 S CB -0.301 62.776 63.200 -0.206 0.000 0.844 223 S HN 0.185 nan 8.310 nan 0.000 0.459 224 V N 2.129 122.077 119.914 0.057 0.000 2.343 224 V HA -0.161 3.959 4.120 -0.000 0.000 0.247 224 V C 2.057 178.199 176.094 0.080 0.000 1.051 224 V CA 1.470 63.767 62.300 -0.006 0.000 1.036 224 V CB -0.721 30.988 31.823 -0.191 0.000 0.654 224 V HN 0.447 nan 8.190 nan 0.000 0.451 225 I N -0.283 120.401 120.570 0.190 0.000 2.252 225 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 225 I C 2.756 178.986 176.117 0.188 0.000 1.102 225 I CA 1.721 63.149 61.300 0.213 0.000 1.385 225 I CB -0.408 37.726 38.000 0.223 0.000 1.064 225 I HN 0.226 nan 8.210 nan 0.000 0.414 226 R N 1.457 122.092 120.500 0.225 0.000 2.081 226 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 226 R C 2.341 178.793 176.300 0.254 0.000 1.131 226 R CA 1.536 57.791 56.100 0.259 0.000 0.960 226 R CB -0.210 30.320 30.300 0.384 0.000 0.856 226 R HN 0.276 nan 8.270 nan 0.000 0.436 227 I N 0.885 121.596 120.570 0.235 0.000 2.179 227 I HA -0.268 3.901 4.170 -0.000 0.000 0.242 227 I C 2.615 178.855 176.117 0.205 0.000 1.088 227 I CA 1.377 62.808 61.300 0.219 0.000 1.357 227 I CB -0.446 37.634 38.000 0.133 0.000 1.051 227 I HN 0.321 nan 8.210 nan 0.000 0.409 228 A N 0.810 123.729 122.820 0.165 0.000 1.908 228 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 228 A C 2.313 180.047 177.584 0.250 0.000 1.181 228 A CA 1.867 54.032 52.037 0.213 0.000 0.627 228 A CB -0.503 18.564 19.000 0.112 0.000 0.818 228 A HN 0.352 nan 8.150 nan 0.000 0.445 229 K N -0.633 119.875 120.400 0.179 0.000 2.057 229 K HA -0.122 4.198 4.320 -0.000 0.000 0.206 229 K C 1.513 178.179 176.600 0.111 0.000 1.050 229 K CA 1.309 57.676 56.287 0.134 0.000 0.935 229 K CB -0.231 32.337 32.500 0.114 0.000 0.715 229 K HN 0.375 nan 8.250 nan 0.000 0.439 230 D N 1.101 121.586 120.400 0.141 0.000 2.144 230 D HA -0.126 4.514 4.640 -0.000 0.000 0.199 230 D C 1.679 178.021 176.300 0.070 0.000 0.984 230 D CA 0.985 55.051 54.000 0.110 0.000 0.834 230 D CB -0.044 40.864 40.800 0.180 0.000 0.955 230 D HN 0.148 nan 8.370 nan 0.000 0.465 231 L N -0.686 120.597 121.223 0.100 0.000 2.552 231 L HA 0.097 4.437 4.340 -0.000 0.000 0.227 231 L C 1.531 178.317 176.870 -0.141 0.000 1.146 231 L CA 0.612 55.465 54.840 0.022 0.000 0.858 231 L CB -0.186 41.954 42.059 0.135 0.000 0.969 231 L HN 0.163 nan 8.230 nan 0.000 0.451 232 G N -1.526 107.226 108.800 -0.079 0.000 2.159 232 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.227 232 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.227 232 G C -0.050 174.750 174.900 -0.166 0.000 0.986 232 G CA -0.519 44.498 45.100 -0.138 0.000 0.651 232 G HN 0.216 nan 8.290 nan 0.000 0.523 233 Y N 1.037 121.336 120.300 -0.001 0.000 2.304 233 Y HA 0.488 5.038 4.550 -0.000 0.000 0.327 233 Y C 0.936 176.820 175.900 -0.027 0.000 1.209 233 Y CA -0.245 57.846 58.100 -0.015 0.000 1.299 233 Y CB 0.756 39.207 38.460 -0.015 0.000 1.249 233 Y HN 0.278 nan 8.280 nan 0.000 0.519 234 E N 1.967 122.239 120.200 0.120 0.000 2.289 234 E HA 0.436 4.786 4.350 -0.000 0.000 0.278 234 E C -1.595 174.983 176.600 -0.038 0.000 1.032 234 E CA -0.374 56.037 56.400 0.019 0.000 0.854 234 E CB 0.750 30.436 29.700 -0.022 0.000 1.046 234 E HN 0.431 nan 8.360 nan 0.000 0.409 235 V N 4.888 124.772 119.914 -0.050 0.000 2.487 235 V HA 0.271 4.390 4.120 -0.000 0.000 0.298 235 V C -0.443 175.570 176.094 -0.136 0.000 1.028 235 V CA -0.709 61.534 62.300 -0.096 0.000 0.860 235 V CB 1.689 33.519 31.823 0.010 0.000 0.991 235 V HN 0.755 nan 8.190 nan 0.000 0.427 236 Q N 2.504 122.157 119.800 -0.245 0.000 2.365 236 Q HA 0.683 5.023 4.340 -0.000 0.000 0.269 236 Q C -1.389 174.557 176.000 -0.088 0.000 1.061 236 Q CA -0.768 54.947 55.803 -0.147 0.000 0.816 236 Q CB 3.049 31.705 28.738 -0.137 0.000 1.325 236 Q HN 0.570 nan 8.270 nan 0.000 0.446 237 V N 3.281 123.163 119.914 -0.054 0.000 2.347 237 V HA 0.488 4.607 4.120 -0.000 0.000 0.280 237 V C -0.083 175.989 176.094 -0.038 0.000 1.021 237 V CA -0.454 61.794 62.300 -0.087 0.000 0.847 237 V CB 1.004 32.753 31.823 -0.124 0.000 0.990 237 V HN 0.605 nan 8.190 nan 0.000 0.444 238 V N 2.714 122.618 119.914 -0.017 0.000 3.167 238 V HA 0.722 4.842 4.120 -0.000 0.000 0.310 238 V C -0.509 175.574 176.094 -0.017 0.000 1.207 238 V CA -1.369 60.938 62.300 0.013 0.000 1.059 238 V CB 2.162 34.046 31.823 0.102 0.000 1.079 238 V HN 0.757 nan 8.190 nan 0.000 0.446 239 R N 0.777 121.253 120.500 -0.041 0.000 2.404 239 R HA 0.831 5.171 4.340 -0.000 0.000 0.291 239 R C -0.394 175.919 176.300 0.021 0.000 1.025 239 R CA 0.351 56.395 56.100 -0.094 0.000 0.991 239 R CB 1.382 31.513 30.300 -0.282 0.000 1.053 239 R HN 1.373 nan 8.270 nan 0.000 0.479 240 A N 2.073 124.936 122.820 0.072 0.000 2.435 240 A HA 0.505 4.825 4.320 -0.000 0.000 0.304 240 A C -0.668 176.955 177.584 0.065 0.000 1.064 240 A CA -0.731 51.337 52.037 0.052 0.000 0.727 240 A CB 1.663 20.668 19.000 0.008 0.000 1.284 240 A HN 0.820 nan 8.150 nan 0.000 0.415 241 T N -1.391 113.116 114.554 -0.078 0.000 2.944 241 T HA 0.443 4.793 4.350 -0.000 0.000 0.284 241 T C 1.258 175.762 174.700 -0.328 0.000 1.010 241 T CA -0.213 61.777 62.100 -0.183 0.000 1.025 241 T CB 1.163 69.899 68.868 -0.220 0.000 1.079 241 T HN 0.861 nan 8.240 nan 0.000 0.516 242 R N 1.075 121.344 120.500 -0.385 0.000 2.105 242 R HA -0.125 4.215 4.340 -0.000 0.000 0.239 242 R C 1.102 176.804 176.300 -0.997 0.000 1.135 242 R CA 1.976 57.703 56.100 -0.622 0.000 0.967 242 R CB -0.991 28.973 30.300 -0.560 0.000 0.861 242 R HN 0.764 nan 8.270 nan 0.000 0.442 243 D N 0.586 120.581 120.400 -0.676 0.000 2.348 243 D HA -0.143 4.497 4.640 -0.000 0.000 0.216 243 D C 1.628 177.744 176.300 -0.307 0.000 0.970 243 D CA 0.702 54.433 54.000 -0.449 0.000 0.889 243 D CB -0.265 40.472 40.800 -0.105 0.000 0.912 243 D HN 0.455 nan 8.370 nan 0.000 0.524 244 Q N -0.109 119.454 119.800 -0.394 0.000 2.172 244 Q HA 0.080 4.420 4.340 -0.000 0.000 0.200 244 Q C 2.366 178.019 176.000 -0.579 0.000 0.964 244 Q CA 0.523 56.056 55.803 -0.451 0.000 0.855 244 Q CB 0.115 28.523 28.738 -0.550 0.000 0.918 244 Q HN 0.342 nan 8.270 nan 0.000 0.444 245 L N -0.789 120.089 121.223 -0.576 0.000 2.072 245 L HA -0.149 4.191 4.340 -0.000 0.000 0.205 245 L C 2.021 178.820 176.870 -0.118 0.000 1.079 245 L CA 1.163 55.754 54.840 -0.414 0.000 0.752 245 L CB -0.585 41.274 42.059 -0.333 0.000 0.906 245 L HN 0.331 nan 8.230 nan 0.000 0.436 246 Y N -0.306 119.909 120.300 -0.142 0.000 2.256 246 Y HA -0.234 4.316 4.550 -0.000 0.000 0.288 246 Y C 2.441 178.305 175.900 -0.060 0.000 1.155 246 Y CA 0.589 58.641 58.100 -0.079 0.000 1.203 246 Y CB -0.169 38.252 38.460 -0.066 0.000 0.980 246 Y HN 0.215 nan 8.280 nan 0.000 0.530 247 M N -0.429 119.214 119.600 0.071 0.000 2.428 247 M HA 0.195 4.675 4.480 -0.000 0.000 0.239 247 M C 0.841 177.162 176.300 0.035 0.000 1.121 247 M CA -0.291 55.032 55.300 0.039 0.000 1.019 247 M CB 0.264 32.869 32.600 0.007 0.000 1.485 247 M HN 0.042 nan 8.290 nan 0.000 0.484 248 A N 0.767 123.602 122.820 0.025 0.000 2.346 248 A HA 0.095 4.415 4.320 -0.000 0.000 0.252 248 A C 0.576 178.246 177.584 0.143 0.000 1.089 248 A CA -0.289 51.819 52.037 0.119 0.000 0.797 248 A CB 0.342 19.448 19.000 0.178 0.000 1.047 248 A HN 0.244 nan 8.150 nan 0.000 0.494 249 D N 0.010 120.518 120.400 0.181 0.000 2.194 249 D HA 0.046 4.685 4.640 -0.000 0.000 0.204 249 D C 0.260 176.648 176.300 0.147 0.000 0.964 249 D CA 1.338 55.425 54.000 0.144 0.000 0.846 249 D CB 0.281 41.166 40.800 0.142 0.000 0.962 249 D HN 0.711 nan 8.370 nan 0.000 0.490 250 E N -0.725 119.594 120.200 0.199 0.000 2.413 250 E HA 0.530 4.880 4.350 -0.000 0.000 0.277 250 E C -1.340 175.429 176.600 0.282 0.000 0.958 250 E CA -0.684 55.842 56.400 0.211 0.000 0.779 250 E CB 3.354 33.175 29.700 0.201 0.000 1.278 250 E HN -0.292 nan 8.360 nan 0.000 0.456 251 V N 2.064 122.139 119.914 0.268 0.000 2.888 251 V HA 0.634 4.754 4.120 -0.000 0.000 0.309 251 V C -1.329 174.951 176.094 0.309 0.000 1.114 251 V CA -0.835 61.610 62.300 0.242 0.000 0.940 251 V CB 1.426 33.336 31.823 0.146 0.000 1.021 251 V HN 0.662 nan 8.190 nan 0.000 0.426 252 F N 1.785 121.807 119.950 0.121 0.000 2.668 252 F HA 0.874 5.401 4.527 -0.000 0.000 0.309 252 F C -1.052 174.817 175.800 0.116 0.000 1.117 252 F CA -1.278 56.759 58.000 0.061 0.000 0.951 252 F CB 1.735 40.715 39.000 -0.034 0.000 1.323 252 F HN 0.351 nan 8.300 nan 0.000 0.451 253 M N 1.801 121.547 119.600 0.244 0.000 2.644 253 M HA 0.709 5.188 4.480 -0.000 0.000 0.316 253 M C -0.724 175.699 176.300 0.206 0.000 1.200 253 M CA -0.721 54.682 55.300 0.173 0.000 0.944 253 M CB 2.657 35.330 32.600 0.121 0.000 1.691 253 M HN 0.856 nan 8.290 nan 0.000 0.471 254 T N -1.199 113.462 114.554 0.179 0.000 2.909 254 T HA 0.938 5.288 4.350 -0.000 0.000 0.299 254 T C -0.502 174.252 174.700 0.090 0.000 1.073 254 T CA -0.743 61.416 62.100 0.099 0.000 0.999 254 T CB 2.162 71.112 68.868 0.137 0.000 1.098 254 T HN 1.046 nan 8.240 nan 0.000 0.477 255 G N 0.314 109.136 108.800 0.036 0.000 2.411 255 G HA2 0.438 4.398 3.960 -0.000 0.000 0.295 255 G HA3 0.438 4.398 3.960 -0.000 0.000 0.295 255 G C 0.276 175.228 174.900 0.087 0.000 1.542 255 G CA -0.134 45.023 45.100 0.095 0.000 0.814 255 G HN 0.642 nan 8.290 nan 0.000 0.557 256 T N 0.928 115.577 114.554 0.159 0.000 2.699 256 T HA -0.104 4.246 4.350 -0.000 0.000 0.268 256 T C 2.695 177.420 174.700 0.041 0.000 1.036 256 T CA 2.985 65.180 62.100 0.158 0.000 1.147 256 T CB -0.246 68.751 68.868 0.215 0.000 0.862 256 T HN 0.955 nan 8.240 nan 0.000 0.446 257 A N 0.946 123.817 122.820 0.086 0.000 1.898 257 A HA 0.435 4.755 4.320 -0.000 0.000 0.214 257 A C 2.498 180.167 177.584 0.140 0.000 1.183 257 A CA 1.308 53.372 52.037 0.045 0.000 0.622 257 A CB -0.829 18.356 19.000 0.307 0.000 0.824 257 A HN 0.478 nan 8.150 nan 0.000 0.444 258 A N -1.178 121.725 122.820 0.139 0.000 2.167 258 A HA 0.220 4.540 4.320 -0.000 0.000 0.214 258 A C 0.898 178.514 177.584 0.052 0.000 1.151 258 A CA 1.225 53.335 52.037 0.122 0.000 0.735 258 A CB -0.376 18.689 19.000 0.109 0.000 0.802 258 A HN 0.620 nan 8.150 nan 0.000 0.467 259 E N -2.341 117.854 120.200 -0.009 0.000 3.304 259 E HA -0.248 4.102 4.350 -0.000 0.000 0.365 259 E C -0.493 175.952 176.600 -0.259 0.000 1.512 259 E CA 1.522 57.830 56.400 -0.154 0.000 1.642 259 E CB -1.110 28.606 29.700 0.026 0.000 1.738 259 E HN 0.262 nan 8.360 nan 0.000 0.483 260 V N 1.425 121.199 119.914 -0.234 0.000 2.326 260 V HA 0.334 4.454 4.120 -0.000 0.000 0.281 260 V C -0.383 175.674 176.094 -0.061 0.000 1.015 260 V CA -0.205 61.985 62.300 -0.183 0.000 0.823 260 V CB 1.488 33.124 31.823 -0.312 0.000 1.009 260 V HN 0.423 nan 8.190 nan 0.000 0.436 261 T N 7.957 122.533 114.554 0.037 0.000 2.772 261 T HA 0.409 4.759 4.350 -0.000 0.000 0.288 261 T C -2.629 172.138 174.700 0.111 0.000 0.994 261 T CA -1.295 60.843 62.100 0.062 0.000 0.951 261 T CB 1.789 70.704 68.868 0.077 0.000 0.933 261 T HN 0.330 nan 8.240 nan 0.000 0.447 262 P HA 0.227 nan 4.420 nan 0.000 0.269 262 P C -0.894 176.469 177.300 0.104 0.000 1.209 262 P CA -0.397 62.764 63.100 0.101 0.000 0.776 262 P CB 0.597 32.317 31.700 0.034 0.000 0.876 263 V N 2.722 122.713 119.914 0.128 0.000 2.350 263 V HA 0.120 4.239 4.120 -0.000 0.000 0.285 263 V C 1.174 177.311 176.094 0.070 0.000 1.014 263 V CA 0.155 62.506 62.300 0.085 0.000 0.831 263 V CB 1.008 32.884 31.823 0.088 0.000 1.000 263 V HN 0.665 nan 8.190 nan 0.000 0.433 264 S N 3.775 119.499 115.700 0.040 0.000 2.524 264 S HA 0.333 4.803 4.470 -0.000 0.000 0.216 264 S C 0.338 174.948 174.600 0.017 0.000 0.987 264 S CA 0.018 58.238 58.200 0.034 0.000 0.909 264 S CB 0.271 63.486 63.200 0.025 0.000 0.781 264 S HN 0.638 nan 8.310 nan 0.000 0.521 265 M N 0.798 120.393 119.600 -0.009 0.000 2.414 265 M HA 0.548 5.028 4.480 -0.000 0.000 0.287 265 M C -2.526 173.731 176.300 -0.071 0.000 1.181 265 M CA -0.666 54.609 55.300 -0.042 0.000 0.933 265 M CB 1.925 34.477 32.600 -0.080 0.000 1.732 265 M HN 0.128 nan 8.290 nan 0.000 0.486 266 I N 4.054 124.594 120.570 -0.049 0.000 2.512 266 I HA 0.314 4.484 4.170 -0.000 0.000 0.287 266 I C -0.771 175.311 176.117 -0.057 0.000 1.069 266 I CA -0.502 60.788 61.300 -0.017 0.000 1.056 266 I CB 2.032 40.122 38.000 0.150 0.000 1.229 266 I HN 0.783 nan 8.210 nan 0.000 0.429 267 D N 5.382 125.686 120.400 -0.160 0.000 2.708 267 D HA -0.237 4.403 4.640 -0.000 0.000 0.236 267 D C -0.165 176.114 176.300 -0.036 0.000 1.146 267 D CA 1.193 55.126 54.000 -0.112 0.000 0.662 267 D CB -0.839 40.007 40.800 0.076 0.000 1.059 267 D HN 0.804 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 -0.313 4.347 4.660 -0.000 0.000 0.305 268 W C 0.687 177.150 176.519 -0.094 0.000 1.150 268 W CA 0.342 57.654 57.345 -0.057 0.000 0.656 268 W CB -2.198 27.230 29.460 -0.052 0.000 2.198 268 W HN 0.155 nan 8.180 nan 0.000 1.417 269 R N 1.559 122.036 120.500 -0.038 0.000 2.310 269 R HA 0.304 4.644 4.340 -0.000 0.000 0.324 269 R C -1.993 174.277 176.300 -0.051 0.000 0.955 269 R CA -1.867 54.171 56.100 -0.104 0.000 0.830 269 R CB 0.943 31.028 30.300 -0.359 0.000 1.154 269 R HN -0.255 nan 8.270 nan 0.000 0.458 270 P HA 0.014 nan 4.420 nan 0.000 0.268 270 P C -0.368 176.947 177.300 0.025 0.000 1.205 270 P CA 0.013 63.120 63.100 0.012 0.000 0.771 270 P CB 0.864 32.577 31.700 0.022 0.000 0.858 271 I N 2.461 123.056 120.570 0.042 0.000 2.315 271 I HA 0.247 4.416 4.170 -0.000 0.000 0.291 271 I C 1.711 177.867 176.117 0.065 0.000 1.006 271 I CA 0.563 61.902 61.300 0.066 0.000 1.265 271 I CB -0.272 37.777 38.000 0.082 0.000 1.387 271 I HN 0.758 nan 8.210 nan 0.000 0.475 272 G N 7.825 116.666 108.800 0.068 0.000 2.622 272 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.307 272 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.307 272 G C 0.939 175.870 174.900 0.051 0.000 1.226 272 G CA 0.703 45.842 45.100 0.065 0.000 0.997 272 G HN 0.776 nan 8.290 nan 0.000 0.551 273 K N 1.886 122.315 120.400 0.049 0.000 2.504 273 K HA 0.358 4.678 4.320 -0.000 0.000 0.195 273 K C 1.748 178.369 176.600 0.036 0.000 1.036 273 K CA 1.359 57.670 56.287 0.040 0.000 0.984 273 K CB -0.072 32.451 32.500 0.038 0.000 0.788 273 K HN 2.389 nan 8.250 nan 0.000 0.488 274 G N 1.082 109.905 108.800 0.038 0.000 2.157 274 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.239 274 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.239 274 G C 0.186 175.104 174.900 0.031 0.000 0.982 274 G CA 0.489 45.609 45.100 0.033 0.000 0.650 274 G HN 0.694 nan 8.290 nan 0.000 0.527 275 T N -2.973 111.601 114.554 0.034 0.000 2.778 275 T HA 0.861 5.211 4.350 -0.000 0.000 0.293 275 T C 0.345 175.065 174.700 0.033 0.000 1.144 275 T CA 0.385 62.503 62.100 0.030 0.000 1.010 275 T CB 1.455 70.338 68.868 0.026 0.000 1.325 275 T HN 1.852 nan 8.240 nan 0.000 0.515 276 A N 0.178 123.014 122.820 0.027 0.000 2.540 276 A HA 0.568 4.888 4.320 -0.000 0.000 0.239 276 A C 0.914 178.509 177.584 0.018 0.000 1.061 276 A CA 0.246 52.296 52.037 0.022 0.000 0.758 276 A CB -0.856 18.148 19.000 0.008 0.000 0.991 276 A HN 1.331 nan 8.150 nan 0.000 0.502 277 G N 1.537 110.347 108.800 0.017 0.000 2.502 277 G HA2 0.533 4.493 3.960 -0.000 0.000 0.305 277 G HA3 0.533 4.493 3.960 -0.000 0.000 0.305 277 G C -1.175 173.715 174.900 -0.018 0.000 1.190 277 G CA -0.888 44.221 45.100 0.014 0.000 0.933 277 G HN 0.486 nan 8.290 nan 0.000 0.503 278 P HA -0.107 nan 4.420 nan 0.000 0.216 278 P C 1.961 179.229 177.300 -0.053 0.000 1.153 278 P CA 0.829 63.922 63.100 -0.011 0.000 0.848 278 P CB 0.151 31.865 31.700 0.025 0.000 0.787 279 V N 1.292 121.152 119.914 -0.090 0.000 2.261 279 V HA -0.228 3.891 4.120 -0.000 0.000 0.246 279 V C 2.969 178.838 176.094 -0.374 0.000 1.047 279 V CA 2.428 64.585 62.300 -0.237 0.000 1.015 279 V CB -1.830 29.802 31.823 -0.319 0.000 0.642 279 V HN 0.105 nan 8.190 nan 0.000 0.446 280 A N -0.329 122.246 122.820 -0.409 0.000 1.940 280 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 280 A C 2.225 179.561 177.584 -0.413 0.000 1.176 280 A CA 1.884 53.522 52.037 -0.666 0.000 0.631 280 A CB -0.576 18.152 19.000 -0.454 0.000 0.814 280 A HN 0.520 nan 8.150 nan 0.000 0.446 281 L N -1.428 119.663 121.223 -0.222 0.000 2.093 281 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 281 L C 2.880 179.682 176.870 -0.112 0.000 1.085 281 L CA 1.217 55.977 54.840 -0.133 0.000 0.755 281 L CB -0.441 41.578 42.059 -0.068 0.000 0.904 281 L HN 0.362 nan 8.230 nan 0.000 0.435 282 R N -0.024 120.412 120.500 -0.106 0.000 2.075 282 R HA -0.094 4.246 4.340 -0.000 0.000 0.232 282 R C 2.301 178.560 176.300 -0.070 0.000 1.126 282 R CA 1.097 57.170 56.100 -0.045 0.000 0.963 282 R CB -0.304 30.014 30.300 0.029 0.000 0.858 282 R HN 0.317 nan 8.270 nan 0.000 0.435 283 L N 0.106 121.220 121.223 -0.182 0.000 2.083 283 L HA -0.166 4.173 4.340 -0.000 0.000 0.209 283 L C 2.795 179.579 176.870 -0.144 0.000 1.083 283 L CA 1.276 55.995 54.840 -0.201 0.000 0.752 283 L CB -0.458 41.338 42.059 -0.439 0.000 0.899 283 L HN 0.197 nan 8.230 nan 0.000 0.433 284 R N 0.464 120.854 120.500 -0.183 0.000 2.081 284 R HA -0.233 4.107 4.340 -0.000 0.000 0.235 284 R C 2.249 178.544 176.300 -0.008 0.000 1.131 284 R CA 1.840 57.881 56.100 -0.097 0.000 0.960 284 R CB -0.052 30.182 30.300 -0.111 0.000 0.856 284 R HN 0.233 nan 8.270 nan 0.000 0.436 285 E N 0.166 120.352 120.200 -0.023 0.000 2.051 285 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 285 E C 1.847 178.454 176.600 0.013 0.000 0.991 285 E CA 1.881 58.279 56.400 -0.003 0.000 0.799 285 E CB -0.265 29.433 29.700 -0.002 0.000 0.748 285 E HN 0.190 nan 8.360 nan 0.000 0.449 286 V N 0.395 120.330 119.914 0.035 0.000 2.343 286 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 286 V C 2.182 178.309 176.094 0.055 0.000 1.051 286 V CA 2.057 64.400 62.300 0.073 0.000 1.036 286 V CB -0.803 31.093 31.823 0.122 0.000 0.654 286 V HN 0.410 nan 8.190 nan 0.000 0.451 287 Y N 0.467 120.709 120.300 -0.097 0.000 2.128 287 Y HA -0.232 4.318 4.550 -0.000 0.000 0.284 287 Y C 2.256 178.002 175.900 -0.258 0.000 1.154 287 Y CA 1.746 59.738 58.100 -0.181 0.000 1.149 287 Y CB -0.146 38.182 38.460 -0.219 0.000 0.976 287 Y HN 0.133 nan 8.280 nan 0.000 0.505 288 L N -0.044 121.081 121.223 -0.164 0.000 2.083 288 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 288 L C 2.315 179.017 176.870 -0.279 0.000 1.083 288 L CA 1.613 56.281 54.840 -0.288 0.000 0.752 288 L CB -0.529 41.470 42.059 -0.100 0.000 0.899 288 L HN 0.313 nan 8.230 nan 0.000 0.433 289 E N 0.083 120.198 120.200 -0.142 0.000 2.106 289 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 289 E C 2.305 178.857 176.600 -0.080 0.000 0.984 289 E CA 1.077 57.432 56.400 -0.074 0.000 0.806 289 E CB -0.091 29.609 29.700 -0.001 0.000 0.750 289 E HN 0.496 nan 8.360 nan 0.000 0.458 290 A N 1.102 123.861 122.820 -0.103 0.000 1.855 290 A HA -0.154 4.166 4.320 -0.000 0.000 0.215 290 A C 2.521 180.008 177.584 -0.162 0.000 1.191 290 A CA 1.675 53.704 52.037 -0.012 0.000 0.613 290 A CB -0.925 18.095 19.000 0.034 0.000 0.829 290 A HN 0.248 nan 8.150 nan 0.000 0.442 291 V N -1.648 117.905 119.914 -0.602 0.000 2.759 291 V HA -0.098 4.022 4.120 -0.000 0.000 0.256 291 V C 1.918 177.750 176.094 -0.436 0.000 1.080 291 V CA 2.237 64.083 62.300 -0.757 0.000 1.101 291 V CB -1.714 29.088 31.823 -1.702 0.000 0.698 291 V HN 0.674 nan 8.190 nan 0.000 0.477 292 T N -2.636 111.730 114.554 -0.313 0.000 3.188 292 T HA 0.452 4.802 4.350 -0.000 0.000 0.250 292 T C 1.465 176.174 174.700 0.015 0.000 1.077 292 T CA 0.455 62.493 62.100 -0.103 0.000 0.967 292 T CB -0.191 68.630 68.868 -0.078 0.000 1.006 292 T HN 1.640 nan 8.240 nan 0.000 0.552 293 G N 2.121 110.941 108.800 0.032 0.000 2.221 293 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.265 293 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.265 293 G C 0.575 175.533 174.900 0.095 0.000 1.041 293 G CA 0.120 45.301 45.100 0.134 0.000 0.807 293 G HN 0.587 nan 8.290 nan 0.000 0.502 294 R N -0.891 119.639 120.500 0.050 0.000 2.509 294 R HA 0.175 4.515 4.340 -0.000 0.000 0.300 294 R C 0.366 176.683 176.300 0.028 0.000 0.985 294 R CA -0.308 55.811 56.100 0.032 0.000 1.092 294 R CB 0.476 30.784 30.300 0.014 0.000 1.237 294 R HN 0.108 nan 8.270 nan 0.000 0.546 295 R N 0.369 120.898 120.500 0.048 0.000 2.412 295 R HA 0.228 4.568 4.340 -0.000 0.000 0.304 295 R C -2.351 173.925 176.300 -0.041 0.000 1.066 295 R CA -2.178 53.930 56.100 0.014 0.000 0.923 295 R CB 1.428 31.810 30.300 0.137 0.000 1.156 295 R HN -0.108 nan 8.270 nan 0.000 0.513 296 P HA -0.217 nan 4.420 nan 0.000 0.216 296 P C 1.164 178.361 177.300 -0.171 0.000 1.150 296 P CA 1.176 64.223 63.100 -0.088 0.000 0.843 296 P CB 0.391 32.040 31.700 -0.085 0.000 0.787 297 E N -0.812 119.193 120.200 -0.325 0.000 2.409 297 E HA -0.187 4.162 4.350 -0.000 0.000 0.198 297 E C 0.720 176.964 176.600 -0.593 0.000 1.024 297 E CA 1.293 57.401 56.400 -0.487 0.000 0.861 297 E CB -0.898 28.405 29.700 -0.662 0.000 0.788 297 E HN 0.448 nan 8.360 nan 0.000 0.521 298 Y N 0.300 120.446 120.300 -0.256 0.000 2.531 298 Y HA 0.228 4.778 4.550 -0.000 0.000 0.249 298 Y C 1.733 177.514 175.900 -0.198 0.000 1.168 298 Y CA -0.588 57.251 58.100 -0.436 0.000 1.226 298 Y CB 0.708 38.952 38.460 -0.359 0.000 1.177 298 Y HN -0.094 nan 8.280 nan 0.000 0.527 299 E N 0.547 120.755 120.200 0.013 0.000 2.209 299 E HA -0.154 4.196 4.350 -0.000 0.000 0.196 299 E C 2.247 178.897 176.600 0.083 0.000 0.993 299 E CA 1.026 57.483 56.400 0.095 0.000 0.819 299 E CB -0.276 29.481 29.700 0.095 0.000 0.745 299 E HN 0.644 nan 8.360 nan 0.000 0.477 300 G N -0.122 108.674 108.800 -0.007 0.000 2.498 300 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.219 300 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.219 300 G C 0.923 175.889 174.900 0.111 0.000 1.119 300 G CA 0.208 45.315 45.100 0.011 0.000 0.766 300 G HN 0.236 nan 8.290 nan 0.000 0.552 301 W N -0.247 121.047 121.300 -0.010 0.000 2.905 301 W HA 0.418 5.078 4.660 -0.000 0.000 0.251 301 W C 0.122 176.525 176.519 -0.193 0.000 1.305 301 W CA -0.535 56.711 57.345 -0.166 0.000 1.465 301 W CB -0.340 28.999 29.460 -0.201 0.000 1.122 301 W HN -0.036 nan 8.180 nan 0.000 0.659 302 L N 0.021 121.312 121.223 0.113 0.000 2.334 302 L HA 0.378 4.718 4.340 -0.000 0.000 0.275 302 L C 0.431 177.214 176.870 -0.145 0.000 1.036 302 L CA 0.083 54.881 54.840 -0.070 0.000 0.807 302 L CB 1.417 43.321 42.059 -0.259 0.000 1.231 302 L HN -0.429 nan 8.230 nan 0.000 0.438 303 T N 1.905 116.339 114.554 -0.201 0.000 2.892 303 T HA 0.395 4.745 4.350 -0.000 0.000 0.311 303 T C -0.776 173.834 174.700 -0.151 0.000 1.033 303 T CA -0.324 61.713 62.100 -0.105 0.000 0.991 303 T CB -0.054 68.785 68.868 -0.049 0.000 0.981 303 T HN 0.111 nan 8.240 nan 0.000 0.457 304 Y N 2.043 122.367 120.300 0.040 0.000 2.436 304 Y HA 0.116 4.666 4.550 -0.000 0.000 0.336 304 Y C 1.702 177.616 175.900 0.022 0.000 1.049 304 Y CA -0.488 57.633 58.100 0.036 0.000 1.294 304 Y CB 0.469 38.949 38.460 0.032 0.000 1.179 304 Y HN 0.394 nan 8.280 nan 0.000 0.520 305 V N 2.414 122.411 119.914 0.138 0.000 2.594 305 V HA -0.232 3.888 4.120 -0.000 0.000 0.253 305 V C 0.786 176.929 176.094 0.081 0.000 1.069 305 V CA 1.320 63.668 62.300 0.081 0.000 1.082 305 V CB -0.623 31.232 31.823 0.054 0.000 0.680 305 V HN 0.714 nan 8.190 nan 0.000 0.469 306 N N 0.000 118.765 118.700 0.109 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 0.055 0.000 1.341 306 N HN 0.000 nan 8.380 nan 0.000 0.667