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 2b81_1_B DATA FIRST_RESID 3 DATA SEQUENCE HXEKFANHFG YNRXFAKDQL TLGVHIPIEN YQFHAPTXEK QVELVQKAEQ DATA SEQUENCE YGFTGVWLRD VLLQDPDFGD PATGQIYDXX IYLTYLASKT EKIAFGTSAT DATA SEQUENCE VLSLRHPLRV AKEIATLDQL FPERIXLGVS SGDRRADFKA LGVSHETRGE DATA SEQUENCE KFREAFAYLE EILYKNFPSI QSTLGEVHGA NLVPKPSKRV PTFITGFSQQ DATA SEQUENCE NXEWFAEHGD GWXYYPRSPV HQAGAIGQWR ELVEDYHPDV FKPFIQPXHL DATA SEQUENCE DLSEDPNERP TPIRLGYRTG RKALIELLDI YKSIGVNHLF LALFDGQRPA DATA SEQUENCE DEVLDELGEE VLPHFPAL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 H HA 0.000 nan 4.556 nan 0.000 0.296 3 H C 0.000 175.283 175.328 -0.075 0.000 0.993 3 H CA 0.000 55.985 56.048 -0.106 0.000 1.023 3 H CB 0.000 29.725 29.762 -0.061 0.000 1.292 6 K N 0.076 120.366 120.400 -0.183 0.000 2.044 6 K HA -0.071 4.249 4.320 -0.001 0.000 0.210 6 K C 0.389 176.514 176.600 -0.791 0.000 1.049 6 K CA 1.482 57.442 56.287 -0.546 0.000 0.927 6 K CB 0.026 32.091 32.500 -0.726 0.000 0.713 6 K HN 0.085 nan 8.250 nan 0.000 0.443 7 F N -0.600 119.212 119.950 -0.230 0.000 2.791 7 F HA 0.329 4.856 4.527 -0.001 0.000 0.308 7 F C 1.270 177.043 175.800 -0.045 0.000 1.138 7 F CA -0.313 57.521 58.000 -0.276 0.000 1.294 7 F CB 0.546 38.980 39.000 -0.945 0.000 0.975 7 F HN -0.002 nan 8.300 nan 0.000 0.512 8 A N 0.738 123.614 122.820 0.092 0.000 1.927 8 A HA -0.267 4.053 4.320 -0.001 0.000 0.220 8 A C 1.414 179.098 177.584 0.167 0.000 1.185 8 A CA 2.111 54.224 52.037 0.128 0.000 0.639 8 A CB -0.619 18.423 19.000 0.070 0.000 0.820 8 A HN 0.537 nan 8.150 nan 0.000 0.451 9 N N -1.351 117.447 118.700 0.164 0.000 2.401 9 N HA 0.107 4.847 4.740 -0.001 0.000 0.264 9 N C -0.390 175.257 175.510 0.229 0.000 1.238 9 N CA -0.135 53.019 53.050 0.172 0.000 0.889 9 N CB 0.349 38.901 38.487 0.108 0.000 1.196 9 N HN 0.474 nan 8.380 nan 0.000 0.511 10 H N 0.565 119.772 119.070 0.227 0.000 2.652 10 H HA 0.042 4.598 4.556 -0.001 0.000 0.298 10 H C 0.305 175.820 175.328 0.312 0.000 1.076 10 H CA -0.298 55.920 56.048 0.284 0.000 1.360 10 H CB 0.482 30.448 29.762 0.340 0.000 1.421 10 H HN 0.188 nan 8.280 nan 0.000 0.464 11 F N 4.934 124.907 119.950 0.037 0.000 2.051 11 F HA -0.087 4.440 4.527 -0.001 0.000 0.296 11 F C 2.153 178.073 175.800 0.200 0.000 1.122 11 F CA 2.121 60.182 58.000 0.101 0.000 1.201 11 F CB -0.594 38.413 39.000 0.012 0.000 0.978 11 F HN 0.637 nan 8.300 nan 0.000 0.472 12 G N -1.219 107.647 108.800 0.110 0.000 2.440 12 G HA2 -0.369 3.591 3.960 -0.001 0.000 0.218 12 G HA3 -0.369 3.591 3.960 -0.001 0.000 0.218 12 G C 1.630 176.580 174.900 0.084 0.000 1.154 12 G CA 1.083 46.196 45.100 0.021 0.000 0.767 12 G HN 0.559 nan 8.290 nan 0.000 0.552 13 Y N 1.749 122.228 120.300 0.299 0.000 2.114 13 Y HA -0.107 4.443 4.550 -0.001 0.000 0.284 13 Y C 2.733 178.740 175.900 0.178 0.000 1.143 13 Y CA 1.985 60.211 58.100 0.210 0.000 1.135 13 Y CB -0.069 38.422 38.460 0.051 0.000 0.980 13 Y HN 0.130 nan 8.280 nan 0.000 0.499 14 N N 0.639 119.576 118.700 0.394 0.000 2.309 14 N HA -0.109 4.630 4.740 -0.001 0.000 0.182 14 N C 0.896 176.413 175.510 0.012 0.000 1.018 14 N CA 0.665 53.870 53.050 0.258 0.000 0.876 14 N CB -0.317 38.330 38.487 0.266 0.000 0.972 14 N HN 0.330 nan 8.380 nan 0.000 0.434 18 A N 2.604 125.582 122.820 0.263 0.000 2.566 18 A HA 0.616 4.936 4.320 -0.001 0.000 0.297 18 A C -1.272 176.182 177.584 -0.217 0.000 1.059 18 A CA -1.016 51.039 52.037 0.030 0.000 0.691 18 A CB 1.822 20.837 19.000 0.025 0.000 1.282 18 A HN 0.719 nan 8.150 nan 0.000 0.401 19 K N 1.412 121.325 120.400 -0.811 0.000 2.504 19 K HA 0.063 4.383 4.320 -0.001 0.000 0.278 19 K C -0.397 176.093 176.600 -0.182 0.000 1.025 19 K CA 1.364 57.205 56.287 -0.742 0.000 1.093 19 K CB -0.009 32.065 32.500 -0.711 0.000 0.873 19 K HN 0.656 nan 8.250 nan 0.000 0.483 20 D N 1.406 121.800 120.400 -0.010 0.000 3.046 20 D HA -0.173 4.467 4.640 -0.001 0.000 0.210 20 D C -0.591 175.759 176.300 0.082 0.000 1.124 20 D CA 1.192 55.227 54.000 0.058 0.000 0.986 20 D CB -0.360 40.456 40.800 0.027 0.000 1.118 20 D HN 0.570 nan 8.370 nan 0.000 0.416 21 Q N -0.029 119.827 119.800 0.093 0.000 2.266 21 Q HA 0.693 5.032 4.340 -0.001 0.000 0.261 21 Q C 0.051 176.157 176.000 0.177 0.000 0.985 21 Q CA -0.601 55.273 55.803 0.119 0.000 0.873 21 Q CB 2.701 31.488 28.738 0.082 0.000 1.306 21 Q HN 0.339 nan 8.270 nan 0.000 0.447 22 L N 0.305 121.648 121.223 0.201 0.000 2.346 22 L HA 0.635 4.975 4.340 -0.001 0.000 0.276 22 L C -0.708 176.266 176.870 0.173 0.000 1.006 22 L CA -0.110 54.842 54.840 0.187 0.000 0.817 22 L CB 2.258 44.414 42.059 0.163 0.000 1.272 22 L HN 0.487 nan 8.230 nan 0.000 0.421 23 T N 3.747 118.363 114.554 0.104 0.000 2.916 23 T HA 0.648 4.997 4.350 -0.001 0.000 0.292 23 T C -1.264 173.445 174.700 0.015 0.000 1.055 23 T CA -0.425 61.729 62.100 0.090 0.000 1.009 23 T CB 1.420 70.326 68.868 0.063 0.000 1.118 23 T HN 0.293 nan 8.240 nan 0.000 0.497 24 L N 1.947 123.170 121.223 0.000 0.000 2.334 24 L HA 0.828 5.168 4.340 -0.001 0.000 0.276 24 L C 0.620 177.625 176.870 0.224 0.000 1.014 24 L CA -0.028 54.773 54.840 -0.065 0.000 0.815 24 L CB 1.565 43.544 42.059 -0.134 0.000 1.268 24 L HN 0.826 nan 8.230 nan 0.000 0.428 25 G N 1.123 110.034 108.800 0.185 0.000 2.816 25 G HA2 0.685 4.645 3.960 -0.001 0.000 0.288 25 G HA3 0.685 4.645 3.960 -0.001 0.000 0.288 25 G C -1.832 173.288 174.900 0.367 0.000 1.334 25 G CA -0.528 44.866 45.100 0.491 0.000 0.978 25 G HN 0.453 nan 8.290 nan 0.000 0.493 26 V N -0.404 119.655 119.914 0.242 0.000 2.789 26 V HA 0.565 4.684 4.120 -0.001 0.000 0.311 26 V C -1.303 174.963 176.094 0.288 0.000 1.073 26 V CA -0.952 61.393 62.300 0.075 0.000 0.921 26 V CB 2.002 33.623 31.823 -0.336 0.000 1.009 26 V HN 0.833 nan 8.190 nan 0.000 0.426 27 H N 6.183 125.390 119.070 0.227 0.000 2.552 27 H HA 0.443 4.999 4.556 -0.001 0.000 0.311 27 H C -0.241 175.305 175.328 0.363 0.000 1.071 27 H CA -0.525 55.745 56.048 0.370 0.000 1.307 27 H CB 1.244 31.157 29.762 0.251 0.000 1.416 27 H HN 0.457 nan 8.280 nan 0.000 0.464 28 I N 7.077 128.008 120.570 0.602 0.000 2.634 28 I HA 0.050 4.219 4.170 -0.001 0.000 0.284 28 I C -1.977 174.509 176.117 0.614 0.000 1.124 28 I CA -2.225 59.393 61.300 0.529 0.000 1.417 28 I CB 0.384 38.648 38.000 0.439 0.000 1.396 28 I HN 0.399 nan 8.210 nan 0.000 0.571 29 P HA 0.195 nan 4.420 nan 0.000 0.271 29 P C -0.180 177.406 177.300 0.477 0.000 1.216 29 P CA -0.097 63.224 63.100 0.368 0.000 0.771 29 P CB 0.369 32.176 31.700 0.178 0.000 0.864 30 I N 3.103 123.865 120.570 0.320 0.000 2.227 30 I HA 0.224 4.394 4.170 -0.001 0.000 0.297 30 I C 0.714 176.960 176.117 0.215 0.000 1.173 30 I CA 0.521 61.955 61.300 0.224 0.000 1.356 30 I CB -0.676 37.401 38.000 0.128 0.000 1.485 30 I HN 0.382 nan 8.210 nan 0.000 0.604 31 E N 4.717 125.082 120.200 0.275 0.000 2.422 31 E HA 0.093 4.443 4.350 -0.001 0.000 0.289 31 E C -0.848 175.901 176.600 0.248 0.000 0.985 31 E CA -0.688 55.865 56.400 0.256 0.000 0.812 31 E CB 1.134 31.008 29.700 0.290 0.000 1.226 31 E HN 0.475 nan 8.360 nan 0.000 0.419 32 N N 4.366 123.136 118.700 0.117 0.000 3.052 32 N HA -0.016 4.724 4.740 -0.001 0.000 0.302 32 N C 0.541 176.036 175.510 -0.025 0.000 1.332 32 N CA -0.219 52.826 53.050 -0.008 0.000 1.129 32 N CB -0.578 37.893 38.487 -0.026 0.000 1.436 32 N HN 0.592 nan 8.380 nan 0.000 0.536 33 Y N -0.914 119.419 120.300 0.056 0.000 2.421 33 Y HA -0.103 4.446 4.550 -0.001 0.000 0.292 33 Y C 1.750 177.644 175.900 -0.009 0.000 1.136 33 Y CA 0.579 58.698 58.100 0.032 0.000 1.255 33 Y CB -0.539 37.927 38.460 0.011 0.000 0.991 33 Y HN 0.375 nan 8.280 nan 0.000 0.552 34 Q N -0.929 118.585 119.800 -0.476 0.000 2.210 34 Q HA -0.353 3.987 4.340 -0.001 0.000 0.400 34 Q C 0.819 176.642 176.000 -0.294 0.000 0.660 34 Q CA 2.712 58.203 55.803 -0.520 0.000 0.981 34 Q CB -1.612 26.732 28.738 -0.656 0.000 2.203 34 Q HN 0.459 nan 8.270 nan 0.000 0.888 35 F N -0.174 119.756 119.950 -0.034 0.000 2.754 35 F HA 0.262 4.789 4.527 -0.000 0.000 0.297 35 F C 1.034 176.649 175.800 -0.308 0.000 1.122 35 F CA 0.540 58.425 58.000 -0.192 0.000 1.400 35 F CB 0.145 38.947 39.000 -0.331 0.000 1.117 35 F HN 0.206 nan 8.300 nan 0.000 0.587 36 H N -0.640 118.584 119.070 0.258 0.000 2.676 36 H HA 0.659 5.215 4.556 -0.001 0.000 0.352 36 H C 0.003 175.412 175.328 0.136 0.000 1.193 36 H CA -1.118 55.034 56.048 0.174 0.000 1.243 36 H CB 1.290 31.129 29.762 0.129 0.000 1.751 36 H HN -0.061 nan 8.280 nan 0.000 0.567 37 A N 2.794 125.706 122.820 0.153 0.000 2.477 37 A HA 0.201 4.521 4.320 -0.001 0.000 0.246 37 A C -1.959 175.581 177.584 -0.072 0.000 1.078 37 A CA -0.953 51.056 52.037 -0.045 0.000 0.770 37 A CB -0.581 18.384 19.000 -0.058 0.000 1.011 37 A HN 0.392 nan 8.150 nan 0.000 0.494 38 P HA 0.174 nan 4.420 nan 0.000 0.271 38 P C 0.452 177.680 177.300 -0.121 0.000 1.218 38 P CA 0.025 63.008 63.100 -0.195 0.000 0.780 38 P CB 0.521 31.959 31.700 -0.436 0.000 0.901 42 K N 0.605 121.082 120.400 0.128 0.000 3.341 42 K HA -0.267 4.052 4.320 -0.001 0.000 0.305 42 K C 1.074 177.753 176.600 0.132 0.000 1.270 42 K CA 0.767 57.123 56.287 0.114 0.000 0.897 42 K CB -0.772 31.784 32.500 0.093 0.000 1.264 42 K HN 0.420 nan 8.250 nan 0.000 0.468 43 Q N 0.099 120.011 119.800 0.185 0.000 2.124 43 Q HA -0.064 4.276 4.340 -0.001 0.000 0.202 43 Q C 2.007 178.086 176.000 0.132 0.000 0.977 43 Q CA 1.721 57.646 55.803 0.204 0.000 0.850 43 Q CB -0.026 28.920 28.738 0.347 0.000 0.901 43 Q HN 0.378 nan 8.270 nan 0.000 0.429 44 V N 2.268 122.251 119.914 0.115 0.000 2.295 44 V HA -0.247 3.873 4.120 -0.001 0.000 0.246 44 V C 2.262 178.366 176.094 0.016 0.000 1.049 44 V CA 2.220 64.536 62.300 0.027 0.000 1.024 44 V CB -0.748 31.070 31.823 -0.008 0.000 0.648 44 V HN 0.542 nan 8.190 nan 0.000 0.447 45 E N 0.052 120.274 120.200 0.036 0.000 2.418 45 E HA -0.118 4.232 4.350 -0.001 0.000 0.197 45 E C 1.984 178.599 176.600 0.025 0.000 1.026 45 E CA 0.955 57.368 56.400 0.022 0.000 0.862 45 E CB -0.188 29.529 29.700 0.028 0.000 0.799 45 E HN 0.556 nan 8.360 nan 0.000 0.518 46 L N 0.451 121.700 121.223 0.043 0.000 2.298 46 L HA 0.007 4.347 4.340 -0.001 0.000 0.209 46 L C 2.363 179.240 176.870 0.011 0.000 1.084 46 L CA 0.099 54.964 54.840 0.042 0.000 0.816 46 L CB 0.109 42.207 42.059 0.065 0.000 0.967 46 L HN 0.007 nan 8.230 nan 0.000 0.460 47 V N -0.213 119.710 119.914 0.014 0.000 2.548 47 V HA -0.243 3.876 4.120 -0.001 0.000 0.249 47 V C 2.361 178.445 176.094 -0.018 0.000 1.055 47 V CA 1.541 63.836 62.300 -0.009 0.000 1.065 47 V CB -0.210 31.636 31.823 0.038 0.000 0.681 47 V HN 0.471 nan 8.190 nan 0.000 0.462 48 Q N -0.475 119.315 119.800 -0.017 0.000 2.079 48 Q HA -0.175 4.165 4.340 -0.001 0.000 0.200 48 Q C 2.370 178.335 176.000 -0.059 0.000 0.974 48 Q CA 1.316 57.100 55.803 -0.033 0.000 0.840 48 Q CB -0.153 28.562 28.738 -0.039 0.000 0.898 48 Q HN 0.546 nan 8.270 nan 0.000 0.430 49 K N 0.455 120.813 120.400 -0.070 0.000 2.026 49 K HA -0.115 4.205 4.320 -0.001 0.000 0.208 49 K C 2.166 178.729 176.600 -0.061 0.000 1.048 49 K CA 1.185 57.374 56.287 -0.163 0.000 0.929 49 K CB -0.290 32.158 32.500 -0.086 0.000 0.713 49 K HN 0.152 nan 8.250 nan 0.000 0.439 50 A N 1.872 124.733 122.820 0.069 0.000 1.908 50 A HA -0.262 4.058 4.320 -0.001 0.000 0.218 50 A C 2.164 179.919 177.584 0.285 0.000 1.181 50 A CA 1.991 54.143 52.037 0.191 0.000 0.627 50 A CB -0.549 18.327 19.000 -0.207 0.000 0.818 50 A HN 0.495 nan 8.150 nan 0.000 0.445 51 E N -0.041 120.212 120.200 0.088 0.000 2.058 51 E HA -0.317 4.033 4.350 -0.001 0.000 0.194 51 E C 2.287 178.928 176.600 0.069 0.000 0.997 51 E CA 1.630 58.072 56.400 0.071 0.000 0.801 51 E CB -0.296 29.415 29.700 0.019 0.000 0.746 51 E HN 0.831 nan 8.360 nan 0.000 0.450 52 Q N -0.352 119.437 119.800 -0.020 0.000 2.135 52 Q HA -0.229 4.111 4.340 -0.001 0.000 0.204 52 Q C 1.706 177.708 176.000 0.004 0.000 0.981 52 Q CA 1.664 57.420 55.803 -0.077 0.000 0.856 52 Q CB -0.576 28.025 28.738 -0.228 0.000 0.902 52 Q HN 0.564 nan 8.270 nan 0.000 0.425 53 Y N 0.127 120.499 120.300 0.119 0.000 2.571 53 Y HA 0.061 4.610 4.550 -0.001 0.000 0.294 53 Y C 1.538 177.439 175.900 0.001 0.000 1.141 53 Y CA 0.219 58.372 58.100 0.089 0.000 1.308 53 Y CB 0.415 38.991 38.460 0.193 0.000 1.002 53 Y HN 0.509 nan 8.280 nan 0.000 0.551 54 G N -0.502 108.408 108.800 0.185 0.000 2.144 54 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.218 54 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.218 54 G C -0.053 174.853 174.900 0.009 0.000 0.988 54 G CA -0.604 44.533 45.100 0.060 0.000 0.659 54 G HN 0.174 nan 8.290 nan 0.000 0.522 55 F N 1.398 121.396 119.950 0.080 0.000 2.602 55 F HA 0.332 4.859 4.527 -0.000 0.000 0.367 55 F C 2.129 177.931 175.800 0.002 0.000 1.126 55 F CA 1.456 59.488 58.000 0.055 0.000 1.321 55 F CB 0.983 40.017 39.000 0.057 0.000 1.094 55 F HN 0.132 nan 8.300 nan 0.000 0.594 56 T N -1.010 113.656 114.554 0.187 0.000 3.022 56 T HA 0.412 4.761 4.350 -0.001 0.000 0.250 56 T C 0.569 175.191 174.700 -0.131 0.000 1.060 56 T CA 0.269 62.365 62.100 -0.007 0.000 1.013 56 T CB 0.052 68.860 68.868 -0.101 0.000 0.982 56 T HN 0.737 nan 8.240 nan 0.000 0.508 57 G N 0.347 109.132 108.800 -0.025 0.000 2.706 57 G HA2 0.565 4.525 3.960 -0.001 0.000 0.297 57 G HA3 0.565 4.525 3.960 -0.001 0.000 0.297 57 G C -1.818 172.869 174.900 -0.355 0.000 1.403 57 G CA -0.612 44.286 45.100 -0.337 0.000 0.954 57 G HN 0.216 nan 8.290 nan 0.000 0.500 58 V N 0.931 120.358 119.914 -0.813 0.000 2.487 58 V HA 0.610 4.730 4.120 -0.001 0.000 0.298 58 V C -1.141 174.543 176.094 -0.683 0.000 1.028 58 V CA -0.660 61.259 62.300 -0.635 0.000 0.860 58 V CB 1.374 32.659 31.823 -0.897 0.000 0.991 58 V HN 0.706 nan 8.190 nan 0.000 0.427 59 W N 4.972 126.113 121.300 -0.264 0.000 2.632 59 W HA 0.814 5.473 4.660 -0.001 0.000 0.328 59 W C -0.702 175.764 176.519 -0.088 0.000 1.044 59 W CA -0.494 56.661 57.345 -0.318 0.000 1.225 59 W CB 1.484 30.455 29.460 -0.815 0.000 1.396 59 W HN 0.303 nan 8.180 nan 0.000 0.499 60 L N 2.452 123.813 121.223 0.229 0.000 2.303 60 L HA 0.667 5.007 4.340 -0.001 0.000 0.266 60 L C 0.184 177.233 176.870 0.298 0.000 1.011 60 L CA -1.131 53.886 54.840 0.295 0.000 0.818 60 L CB 1.358 43.583 42.059 0.277 0.000 1.326 60 L HN 0.326 nan 8.230 nan 0.000 0.435 61 R N -0.388 120.291 120.500 0.298 0.000 2.873 61 R HA 0.456 4.796 4.340 -0.001 0.000 0.264 61 R C -1.359 175.040 176.300 0.166 0.000 1.026 61 R CA -0.927 55.325 56.100 0.253 0.000 1.002 61 R CB 1.458 31.925 30.300 0.279 0.000 1.174 61 R HN 0.425 nan 8.270 nan 0.000 0.488 62 D N 1.423 121.902 120.400 0.132 0.000 2.477 62 D HA 0.300 4.939 4.640 -0.001 0.000 0.239 62 D C -1.514 174.804 176.300 0.030 0.000 1.102 62 D CA -0.236 53.814 54.000 0.082 0.000 0.901 62 D CB 0.862 41.714 40.800 0.087 0.000 1.026 62 D HN 0.090 nan 8.370 nan 0.000 0.515 63 V N 4.821 124.737 119.914 0.003 0.000 2.623 63 V HA 0.243 4.363 4.120 -0.001 0.000 0.304 63 V C 1.070 177.132 176.094 -0.054 0.000 1.054 63 V CA -0.606 61.665 62.300 -0.048 0.000 0.882 63 V CB 1.849 33.630 31.823 -0.070 0.000 1.002 63 V HN 0.409 nan 8.190 nan 0.000 0.424 64 L N 3.791 124.975 121.223 -0.066 0.000 2.121 64 L HA 0.300 4.640 4.340 -0.001 0.000 0.200 64 L C 0.277 177.110 176.870 -0.061 0.000 1.077 64 L CA 1.118 55.924 54.840 -0.056 0.000 0.766 64 L CB 0.155 42.182 42.059 -0.053 0.000 0.931 64 L HN 0.391 nan 8.230 nan 0.000 0.452 65 L N 0.004 121.187 121.223 -0.068 0.000 2.325 65 L HA 0.305 4.645 4.340 -0.001 0.000 0.278 65 L C 0.007 176.839 176.870 -0.064 0.000 1.023 65 L CA -0.414 54.391 54.840 -0.058 0.000 0.811 65 L CB 1.546 43.580 42.059 -0.041 0.000 1.249 65 L HN 0.119 nan 8.230 nan 0.000 0.431 66 Q N 2.581 122.350 119.800 -0.052 0.000 2.262 66 Q HA 0.016 4.355 4.340 -0.001 0.000 0.272 66 Q C -1.197 174.795 176.000 -0.014 0.000 1.076 66 Q CA 0.023 55.803 55.803 -0.038 0.000 0.905 66 Q CB 0.689 29.404 28.738 -0.040 0.000 1.182 66 Q HN 0.452 nan 8.270 nan 0.000 0.390 67 D N 5.920 126.327 120.400 0.011 0.000 2.462 67 D HA 0.294 4.934 4.640 -0.001 0.000 0.245 67 D C -2.056 174.292 176.300 0.081 0.000 1.122 67 D CA -2.315 51.712 54.000 0.044 0.000 0.864 67 D CB 1.765 42.595 40.800 0.050 0.000 1.098 67 D HN 0.334 nan 8.370 nan 0.000 0.541 68 P HA -0.062 nan 4.420 nan 0.000 0.221 68 P C 0.387 177.718 177.300 0.051 0.000 1.145 68 P CA 0.739 63.864 63.100 0.042 0.000 0.795 68 P CB 0.401 32.114 31.700 0.021 0.000 0.775 69 D N -2.150 118.294 120.400 0.074 0.000 2.317 69 D HA -0.052 4.588 4.640 -0.001 0.000 0.211 69 D C 1.317 177.667 176.300 0.084 0.000 0.966 69 D CA 0.629 54.668 54.000 0.065 0.000 0.876 69 D CB -0.567 40.277 40.800 0.074 0.000 0.927 69 D HN 0.203 nan 8.370 nan 0.000 0.519 70 F N 0.351 120.294 119.950 -0.013 0.000 2.619 70 F HA 0.241 4.767 4.527 -0.001 0.000 0.293 70 F C 1.510 177.308 175.800 -0.004 0.000 1.119 70 F CA 0.736 58.732 58.000 -0.007 0.000 1.445 70 F CB 0.565 39.569 39.000 0.006 0.000 1.119 70 F HN 0.054 nan 8.300 nan 0.000 0.573 71 G N 1.621 110.454 108.800 0.056 0.000 2.225 71 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.264 71 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.264 71 G C -0.468 174.486 174.900 0.090 0.000 1.060 71 G CA 0.446 45.552 45.100 0.011 0.000 0.833 71 G HN 0.436 nan 8.290 nan 0.000 0.498 72 D N -0.192 120.315 120.400 0.178 0.000 2.408 72 D HA 0.473 5.112 4.640 -0.001 0.000 0.261 72 D C -0.450 175.904 176.300 0.089 0.000 1.190 72 D CA -1.990 52.114 54.000 0.173 0.000 0.910 72 D CB 1.216 42.175 40.800 0.264 0.000 1.097 72 D HN 0.085 nan 8.370 nan 0.000 0.522 73 P HA -0.020 nan 4.420 nan 0.000 0.228 73 P C 0.889 178.122 177.300 -0.112 0.000 1.151 73 P CA 0.438 63.557 63.100 0.033 0.000 0.770 73 P CB 0.317 32.083 31.700 0.110 0.000 0.786 74 A N -0.886 121.801 122.820 -0.221 0.000 2.132 74 A HA 0.106 4.425 4.320 -0.001 0.000 0.213 74 A C 0.894 178.303 177.584 -0.290 0.000 1.154 74 A CA 0.741 52.498 52.037 -0.467 0.000 0.753 74 A CB -1.184 17.323 19.000 -0.822 0.000 0.826 74 A HN 0.139 nan 8.150 nan 0.000 0.469 75 T N -0.029 114.431 114.554 -0.156 0.000 3.626 75 T HA -0.071 4.279 4.350 -0.001 0.000 0.393 75 T C 1.544 176.168 174.700 -0.126 0.000 0.765 75 T CA 1.324 63.353 62.100 -0.118 0.000 2.006 75 T CB -2.047 66.748 68.868 -0.123 0.000 1.739 75 T HN 2.213 nan 8.240 nan 0.000 0.720 76 G N 1.413 110.156 108.800 -0.094 0.000 3.377 76 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.304 76 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.304 76 G C 0.247 175.080 174.900 -0.111 0.000 1.366 76 G CA 0.815 45.887 45.100 -0.047 0.000 1.020 76 G HN 1.389 nan 8.290 nan 0.000 0.621 77 Q N 0.622 120.342 119.800 -0.133 0.000 2.147 77 Q HA 0.452 4.791 4.340 -0.001 0.000 0.287 77 Q C 1.368 177.121 176.000 -0.413 0.000 0.863 77 Q CA 0.329 56.001 55.803 -0.219 0.000 1.073 77 Q CB 0.194 28.918 28.738 -0.023 0.000 1.298 77 Q HN 1.406 nan 8.270 nan 0.000 0.411 78 I N -1.350 118.989 120.570 -0.384 0.000 4.588 78 I HA -0.424 3.745 4.170 -0.001 0.000 0.053 78 I C 0.519 176.414 176.117 -0.369 0.000 0.617 78 I CA 1.782 62.809 61.300 -0.455 0.000 0.853 78 I CB -2.189 35.389 38.000 -0.703 0.000 0.779 78 I HN 0.384 nan 8.210 nan 0.000 0.163 79 Y N 2.768 122.891 120.300 -0.295 0.000 2.578 79 Y HA 0.171 4.721 4.550 -0.001 0.000 0.339 79 Y C 1.173 176.992 175.900 -0.136 0.000 1.231 79 Y CA 0.133 58.064 58.100 -0.281 0.000 1.461 79 Y CB 0.125 38.240 38.460 -0.575 0.000 1.323 79 Y HN 0.346 nan 8.280 nan 0.000 0.590 84 Y N 2.627 122.929 120.300 0.004 0.000 2.286 84 Y HA 0.078 4.628 4.550 -0.000 0.000 0.293 84 Y C 2.491 178.406 175.900 0.025 0.000 1.124 84 Y CA 1.794 59.904 58.100 0.016 0.000 1.178 84 Y CB -0.023 38.492 38.460 0.093 0.000 1.010 84 Y HN 0.119 nan 8.280 nan 0.000 0.536 85 L N -0.868 120.374 121.223 0.033 0.000 2.012 85 L HA -0.286 4.054 4.340 -0.001 0.000 0.210 85 L C 2.151 178.794 176.870 -0.378 0.000 1.073 85 L CA 2.291 57.023 54.840 -0.180 0.000 0.748 85 L CB -0.725 41.305 42.059 -0.048 0.000 0.891 85 L HN 0.187 nan 8.230 nan 0.000 0.431 86 T N -1.159 113.312 114.554 -0.138 0.000 2.665 86 T HA -0.305 4.044 4.350 -0.001 0.000 0.268 86 T C 1.557 176.176 174.700 -0.135 0.000 1.035 86 T CA 1.985 64.053 62.100 -0.052 0.000 1.151 86 T CB -0.597 68.327 68.868 0.094 0.000 0.862 86 T HN 0.478 nan 8.240 nan 0.000 0.438 87 Y N 1.755 121.910 120.300 -0.241 0.000 2.097 87 Y HA -0.116 4.434 4.550 -0.000 0.000 0.282 87 Y C 2.077 177.744 175.900 -0.388 0.000 1.152 87 Y CA 1.242 59.190 58.100 -0.254 0.000 1.136 87 Y CB -0.555 37.767 38.460 -0.230 0.000 0.975 87 Y HN 0.131 nan 8.280 nan 0.000 0.498 88 L N -0.600 120.308 121.223 -0.526 0.000 2.093 88 L HA -0.161 4.179 4.340 -0.001 0.000 0.208 88 L C 2.764 179.167 176.870 -0.779 0.000 1.085 88 L CA 1.010 55.494 54.840 -0.594 0.000 0.755 88 L CB -1.032 40.775 42.059 -0.421 0.000 0.904 88 L HN 0.302 nan 8.230 nan 0.000 0.435 89 A N 0.277 122.284 122.820 -1.354 0.000 1.940 89 A HA -0.225 4.095 4.320 -0.001 0.000 0.219 89 A C 2.492 179.453 177.584 -1.038 0.000 1.176 89 A CA 1.969 53.068 52.037 -1.563 0.000 0.631 89 A CB -0.671 17.040 19.000 -2.148 0.000 0.814 89 A HN 0.515 nan 8.150 nan 0.000 0.446 90 S N -1.508 113.795 115.700 -0.663 0.000 2.515 90 S HA -0.002 4.468 4.470 -0.001 0.000 0.231 90 S C 1.369 175.852 174.600 -0.194 0.000 0.987 90 S CA 1.314 59.427 58.200 -0.145 0.000 0.936 90 S CB -0.076 63.123 63.200 -0.001 0.000 0.766 90 S HN 0.318 nan 8.310 nan 0.000 0.528 91 K N 1.711 121.923 120.400 -0.314 0.000 2.358 91 K HA 0.264 4.584 4.320 -0.001 0.000 0.197 91 K C 0.413 176.929 176.600 -0.140 0.000 1.025 91 K CA 0.326 56.467 56.287 -0.244 0.000 1.104 91 K CB 0.844 33.141 32.500 -0.338 0.000 0.855 91 K HN 0.712 nan 8.250 nan 0.000 0.531 92 T N -3.113 111.371 114.554 -0.116 0.000 2.883 92 T HA 0.435 4.785 4.350 -0.001 0.000 0.296 92 T C 0.313 175.009 174.700 -0.006 0.000 1.117 92 T CA -0.793 61.289 62.100 -0.030 0.000 1.006 92 T CB 1.909 70.812 68.868 0.058 0.000 1.191 92 T HN -0.216 nan 8.240 nan 0.000 0.508 93 E N 0.279 120.493 120.200 0.024 0.000 2.372 93 E HA 0.151 4.500 4.350 -0.001 0.000 0.201 93 E C 1.236 177.872 176.600 0.059 0.000 0.938 93 E CA 0.588 57.006 56.400 0.030 0.000 0.944 93 E CB 0.470 30.177 29.700 0.013 0.000 0.937 93 E HN 0.909 nan 8.360 nan 0.000 0.495 94 K N -0.695 119.769 120.400 0.107 0.000 2.645 94 K HA 0.248 4.567 4.320 -0.001 0.000 0.203 94 K C 0.896 177.632 176.600 0.227 0.000 1.653 94 K CA -0.298 56.121 56.287 0.220 0.000 1.138 94 K CB 0.178 32.843 32.500 0.275 0.000 1.515 94 K HN -0.101 nan 8.250 nan 0.000 0.592 95 I N 3.056 123.681 120.570 0.092 0.000 2.880 95 I HA -0.002 4.167 4.170 -0.001 0.000 0.296 95 I C 0.052 176.103 176.117 -0.111 0.000 1.220 95 I CA -0.009 61.260 61.300 -0.051 0.000 1.435 95 I CB 0.706 38.611 38.000 -0.159 0.000 1.339 95 I HN 0.415 nan 8.210 nan 0.000 0.583 96 A N 7.373 130.061 122.820 -0.221 0.000 2.388 96 A HA 0.467 4.786 4.320 -0.001 0.000 0.257 96 A C -0.911 176.335 177.584 -0.563 0.000 1.095 96 A CA -0.138 51.755 52.037 -0.240 0.000 0.791 96 A CB 0.140 18.988 19.000 -0.252 0.000 1.029 96 A HN 0.583 nan 8.150 nan 0.000 0.489 97 F N 0.764 120.509 119.950 -0.342 0.000 2.458 97 F HA 0.605 5.131 4.527 -0.001 0.000 0.336 97 F C 0.871 176.353 175.800 -0.529 0.000 1.114 97 F CA 0.001 57.741 58.000 -0.434 0.000 0.987 97 F CB 2.447 41.263 39.000 -0.307 0.000 1.130 97 F HN 0.703 nan 8.300 nan 0.000 0.458 98 G N 0.457 108.836 108.800 -0.701 0.000 2.571 98 G HA2 0.549 4.509 3.960 -0.001 0.000 0.304 98 G HA3 0.549 4.509 3.960 -0.001 0.000 0.304 98 G C -1.163 173.618 174.900 -0.198 0.000 1.314 98 G CA -0.919 43.694 45.100 -0.811 0.000 0.975 98 G HN 0.595 nan 8.290 nan 0.000 0.485 99 T N -1.465 113.149 114.554 0.099 0.000 2.767 99 T HA 0.568 4.918 4.350 -0.001 0.000 0.288 99 T C 0.155 175.073 174.700 0.364 0.000 0.963 99 T CA -0.619 61.614 62.100 0.222 0.000 1.019 99 T CB 1.618 70.589 68.868 0.173 0.000 0.923 99 T HN 0.602 nan 8.240 nan 0.000 0.468 100 S N 2.213 118.113 115.700 0.334 0.000 2.130 100 S HA 0.649 5.119 4.470 -0.001 0.000 0.165 100 S C -0.381 174.362 174.600 0.238 0.000 1.677 100 S CA -0.520 57.839 58.200 0.265 0.000 1.227 100 S CB -0.841 62.472 63.200 0.190 0.000 1.115 100 S HN 1.186 nan 8.310 nan 0.000 0.452 101 A N 2.080 125.024 122.820 0.208 0.000 2.515 101 A HA 0.769 5.089 4.320 -0.001 0.000 0.296 101 A C -0.031 177.665 177.584 0.186 0.000 1.094 101 A CA -0.726 51.435 52.037 0.208 0.000 0.718 101 A CB 1.051 20.165 19.000 0.190 0.000 1.307 101 A HN 0.455 nan 8.150 nan 0.000 0.408 102 T N 1.552 116.218 114.554 0.186 0.000 2.829 102 T HA 0.296 4.646 4.350 -0.001 0.000 0.293 102 T C 0.157 174.957 174.700 0.166 0.000 0.970 102 T CA 0.261 62.451 62.100 0.150 0.000 1.168 102 T CB -0.111 68.837 68.868 0.135 0.000 0.911 102 T HN 0.469 nan 8.240 nan 0.000 0.535 103 V N 6.809 126.795 119.914 0.120 0.000 2.338 103 V HA 0.093 4.213 4.120 -0.001 0.000 0.255 103 V C 1.527 177.682 176.094 0.101 0.000 1.082 103 V CA -0.050 62.324 62.300 0.123 0.000 0.951 103 V CB 0.076 31.927 31.823 0.048 0.000 1.102 103 V HN 0.885 nan 8.190 nan 0.000 0.489 104 L N 3.351 124.692 121.223 0.196 0.000 2.456 104 L HA -0.078 4.261 4.340 -0.001 0.000 0.224 104 L C 2.121 179.017 176.870 0.043 0.000 1.148 104 L CA 1.280 56.180 54.840 0.100 0.000 0.825 104 L CB -0.193 41.906 42.059 0.067 0.000 0.937 104 L HN 0.856 nan 8.230 nan 0.000 0.450 105 S N -1.904 113.847 115.700 0.085 0.000 2.556 105 S HA 0.106 4.576 4.470 -0.001 0.000 0.216 105 S C 1.289 175.820 174.600 -0.114 0.000 0.970 105 S CA -0.174 58.045 58.200 0.031 0.000 0.912 105 S CB 0.463 63.762 63.200 0.166 0.000 0.790 105 S HN 0.203 nan 8.310 nan 0.000 0.504 106 L N 0.357 121.485 121.223 -0.159 0.000 2.803 106 L HA 0.498 4.838 4.340 -0.001 0.000 0.246 106 L C 0.468 177.266 176.870 -0.121 0.000 1.100 106 L CA 0.489 55.191 54.840 -0.230 0.000 0.919 106 L CB 0.153 42.004 42.059 -0.346 0.000 1.285 106 L HN 0.129 nan 8.230 nan 0.000 0.522 107 R N -0.346 120.107 120.500 -0.079 0.000 2.437 107 R HA 0.278 4.618 4.340 -0.001 0.000 0.310 107 R C -0.503 175.762 176.300 -0.059 0.000 0.955 107 R CA -0.714 55.359 56.100 -0.044 0.000 0.851 107 R CB 1.214 31.501 30.300 -0.023 0.000 1.161 107 R HN 0.040 nan 8.270 nan 0.000 0.446 108 H N 5.435 124.430 119.070 -0.124 0.000 2.928 108 H HA 0.015 4.571 4.556 -0.001 0.000 0.338 108 H C -1.486 173.700 175.328 -0.237 0.000 1.047 108 H CA -1.108 54.827 56.048 -0.189 0.000 1.435 108 H CB 1.403 31.055 29.762 -0.182 0.000 1.428 108 H HN 0.404 nan 8.280 nan 0.000 0.590 109 P HA -0.193 nan 4.420 nan 0.000 0.218 109 P C 1.747 178.945 177.300 -0.170 0.000 1.148 109 P CA 0.654 63.536 63.100 -0.363 0.000 0.822 109 P CB 0.319 31.660 31.700 -0.598 0.000 0.784 110 L N 0.178 121.388 121.223 -0.021 0.000 2.056 110 L HA -0.047 4.293 4.340 -0.001 0.000 0.207 110 L C 2.617 179.485 176.870 -0.003 0.000 1.078 110 L CA 1.712 56.578 54.840 0.044 0.000 0.749 110 L CB -0.995 41.099 42.059 0.058 0.000 0.901 110 L HN -0.234 nan 8.230 nan 0.000 0.433 111 R N -1.116 119.385 120.500 0.002 0.000 2.096 111 R HA -0.096 4.244 4.340 -0.001 0.000 0.235 111 R C 2.105 178.392 176.300 -0.022 0.000 1.127 111 R CA 1.436 57.523 56.100 -0.022 0.000 0.968 111 R CB -0.580 29.708 30.300 -0.019 0.000 0.861 111 R HN 0.324 nan 8.270 nan 0.000 0.440 112 V N 1.136 121.033 119.914 -0.028 0.000 2.295 112 V HA -0.253 3.866 4.120 -0.001 0.000 0.246 112 V C 2.532 178.601 176.094 -0.042 0.000 1.049 112 V CA 2.012 64.294 62.300 -0.029 0.000 1.024 112 V CB -0.809 30.990 31.823 -0.040 0.000 0.648 112 V HN 0.380 nan 8.190 nan 0.000 0.447 113 A N 0.232 123.013 122.820 -0.065 0.000 1.883 113 A HA -0.303 4.017 4.320 -0.001 0.000 0.217 113 A C 2.248 179.789 177.584 -0.072 0.000 1.186 113 A CA 2.507 54.489 52.037 -0.092 0.000 0.624 113 A CB -0.572 18.368 19.000 -0.100 0.000 0.822 113 A HN 0.493 nan 8.150 nan 0.000 0.444 114 K N 0.120 120.488 120.400 -0.054 0.000 2.063 114 K HA -0.167 4.153 4.320 -0.001 0.000 0.208 114 K C 1.830 178.408 176.600 -0.036 0.000 1.048 114 K CA 2.141 58.399 56.287 -0.049 0.000 0.928 114 K CB -0.285 32.187 32.500 -0.046 0.000 0.713 114 K HN 0.639 nan 8.250 nan 0.000 0.442 115 E N -0.331 119.854 120.200 -0.025 0.000 2.112 115 E HA -0.086 4.264 4.350 -0.001 0.000 0.190 115 E C 1.878 178.481 176.600 0.005 0.000 0.979 115 E CA 0.803 57.198 56.400 -0.008 0.000 0.814 115 E CB -0.007 29.694 29.700 0.002 0.000 0.762 115 E HN 0.186 nan 8.360 nan 0.000 0.460 116 I N 1.264 121.835 120.570 0.002 0.000 2.202 116 I HA -0.195 3.974 4.170 -0.001 0.000 0.242 116 I C 2.460 178.588 176.117 0.018 0.000 1.091 116 I CA 1.127 62.438 61.300 0.019 0.000 1.368 116 I CB -1.388 36.619 38.000 0.012 0.000 1.058 116 I HN 0.027 nan 8.210 nan 0.000 0.410 117 A N 0.295 123.106 122.820 -0.014 0.000 1.908 117 A HA -0.276 4.043 4.320 -0.001 0.000 0.218 117 A C 2.510 180.085 177.584 -0.015 0.000 1.181 117 A CA 2.739 54.767 52.037 -0.015 0.000 0.627 117 A CB -1.158 17.814 19.000 -0.046 0.000 0.818 117 A HN 0.495 nan 8.150 nan 0.000 0.445 118 T N -1.143 113.395 114.554 -0.025 0.000 2.821 118 T HA -0.058 4.291 4.350 -0.001 0.000 0.267 118 T C 1.845 176.513 174.700 -0.053 0.000 1.046 118 T CA 1.433 63.505 62.100 -0.046 0.000 1.139 118 T CB -0.474 68.362 68.868 -0.054 0.000 0.871 118 T HN 0.322 nan 8.240 nan 0.000 0.454 119 L N 1.008 122.236 121.223 0.008 0.000 2.042 119 L HA -0.074 4.266 4.340 -0.001 0.000 0.210 119 L C 2.850 179.780 176.870 0.100 0.000 1.076 119 L CA 2.057 56.951 54.840 0.090 0.000 0.749 119 L CB -0.560 41.589 42.059 0.150 0.000 0.893 119 L HN 0.444 nan 8.230 nan 0.000 0.432 120 D N -0.934 119.513 120.400 0.078 0.000 2.224 120 D HA -0.168 4.472 4.640 -0.001 0.000 0.205 120 D C 2.027 178.339 176.300 0.021 0.000 0.965 120 D CA 0.786 54.840 54.000 0.092 0.000 0.852 120 D CB 0.299 41.168 40.800 0.115 0.000 0.947 120 D HN 0.343 nan 8.370 nan 0.000 0.494 121 Q N 0.244 120.021 119.800 -0.037 0.000 2.083 121 Q HA -0.029 4.311 4.340 -0.001 0.000 0.198 121 Q C 2.582 178.472 176.000 -0.183 0.000 0.969 121 Q CA 0.432 56.184 55.803 -0.084 0.000 0.838 121 Q CB -0.131 28.559 28.738 -0.081 0.000 0.900 121 Q HN 0.434 nan 8.270 nan 0.000 0.436 122 L N -1.034 119.990 121.223 -0.332 0.000 2.156 122 L HA -0.040 4.300 4.340 -0.001 0.000 0.208 122 L C 0.356 176.735 176.870 -0.818 0.000 1.095 122 L CA 0.768 55.185 54.840 -0.705 0.000 0.770 122 L CB 0.033 41.431 42.059 -1.102 0.000 0.914 122 L HN 0.063 nan 8.230 nan 0.000 0.439 123 F N -0.705 119.228 119.950 -0.029 0.000 2.710 123 F HA 0.346 4.872 4.527 -0.001 0.000 0.345 123 F C -2.405 173.400 175.800 0.007 0.000 1.362 123 F CA -2.166 55.822 58.000 -0.019 0.000 1.175 123 F CB 0.265 39.251 39.000 -0.024 0.000 1.561 123 F HN -0.243 nan 8.300 nan 0.000 0.593 124 P HA 0.065 nan 4.420 nan 0.000 0.267 124 P C 0.004 177.344 177.300 0.067 0.000 1.205 124 P CA 0.593 63.726 63.100 0.054 0.000 0.765 124 P CB 0.464 32.161 31.700 -0.005 0.000 0.828 125 E N 0.643 120.869 120.200 0.043 0.000 3.070 125 E HA -0.260 4.090 4.350 -0.001 0.000 0.285 125 E C 0.220 176.945 176.600 0.208 0.000 0.972 125 E CA 0.441 56.776 56.400 -0.108 0.000 0.915 125 E CB -1.267 28.252 29.700 -0.301 0.000 1.466 125 E HN 0.527 nan 8.360 nan 0.000 0.432 126 R N -0.178 120.473 120.500 0.252 0.000 2.565 126 R HA 0.263 4.603 4.340 -0.001 0.000 0.347 126 R C 0.320 176.733 176.300 0.189 0.000 1.010 126 R CA -0.200 56.047 56.100 0.246 0.000 1.126 126 R CB 0.787 31.235 30.300 0.247 0.000 1.331 126 R HN 0.011 nan 8.270 nan 0.000 0.552 130 G N 3.156 112.163 108.800 0.346 0.000 2.353 130 G HA2 0.583 4.543 3.960 -0.001 0.000 0.284 130 G HA3 0.583 4.543 3.960 -0.001 0.000 0.284 130 G C -0.536 174.544 174.900 0.299 0.000 1.172 130 G CA 0.064 45.390 45.100 0.376 0.000 0.854 130 G HN 1.051 nan 8.290 nan 0.000 0.485 131 V N 0.486 120.602 119.914 0.336 0.000 2.680 131 V HA 0.944 5.063 4.120 -0.001 0.000 0.309 131 V C -0.015 176.322 176.094 0.405 0.000 1.052 131 V CA -0.475 62.060 62.300 0.391 0.000 0.908 131 V CB 1.305 33.430 31.823 0.503 0.000 1.001 131 V HN 1.164 nan 8.190 nan 0.000 0.431 132 S N 1.595 117.526 115.700 0.385 0.000 2.685 132 S HA 0.581 5.051 4.470 -0.001 0.000 0.282 132 S C 0.612 175.344 174.600 0.221 0.000 1.159 132 S CA 0.041 58.350 58.200 0.182 0.000 0.833 132 S CB 1.472 64.741 63.200 0.115 0.000 1.151 132 S HN 1.840 nan 8.310 nan 0.000 0.485 133 S N -0.152 115.506 115.700 -0.070 0.000 2.524 133 S HA 0.541 5.011 4.470 -0.001 0.000 0.216 133 S C 1.234 175.972 174.600 0.230 0.000 0.987 133 S CA 0.160 58.409 58.200 0.081 0.000 0.909 133 S CB -1.044 62.062 63.200 -0.157 0.000 0.781 133 S HN 2.369 nan 8.310 nan 0.000 0.521 134 G N 1.861 110.795 108.800 0.224 0.000 2.690 134 G HA2 0.079 4.038 3.960 -0.001 0.000 0.686 134 G HA3 0.079 4.038 3.960 -0.001 0.000 0.686 134 G C -0.447 174.708 174.900 0.425 0.000 1.277 134 G CA 0.002 45.309 45.100 0.345 0.000 0.799 134 G HN 0.573 nan 8.290 nan 0.000 0.613 135 D N -1.533 119.138 120.400 0.452 0.000 2.480 135 D HA -0.002 4.638 4.640 -0.001 0.000 0.276 135 D C 0.675 177.181 176.300 0.344 0.000 1.294 135 D CA -0.304 53.957 54.000 0.435 0.000 0.829 135 D CB 0.068 41.103 40.800 0.392 0.000 1.242 135 D HN 0.447 nan 8.370 nan 0.000 0.513 136 R N 1.961 122.579 120.500 0.196 0.000 2.609 136 R HA 0.283 4.622 4.340 -0.001 0.000 0.271 136 R C 1.082 177.485 176.300 0.172 0.000 1.403 136 R CA -0.096 55.918 56.100 -0.143 0.000 1.138 136 R CB 0.068 30.198 30.300 -0.283 0.000 1.142 136 R HN 0.234 nan 8.270 nan 0.000 0.559 137 R N 1.104 121.679 120.500 0.127 0.000 2.133 137 R HA -0.223 4.117 4.340 -0.001 0.000 0.247 137 R C 1.906 178.289 176.300 0.139 0.000 1.151 137 R CA 2.052 58.203 56.100 0.084 0.000 0.971 137 R CB -0.239 30.029 30.300 -0.054 0.000 0.866 137 R HN 0.495 nan 8.270 nan 0.000 0.447 138 A N 1.136 123.999 122.820 0.073 0.000 1.969 138 A HA -0.161 4.159 4.320 -0.001 0.000 0.218 138 A C 1.427 179.045 177.584 0.056 0.000 1.169 138 A CA 1.579 53.646 52.037 0.050 0.000 0.635 138 A CB -0.190 18.817 19.000 0.012 0.000 0.810 138 A HN 0.159 nan 8.150 nan 0.000 0.445 139 D N -0.663 119.767 120.400 0.052 0.000 2.097 139 D HA -0.081 4.559 4.640 -0.001 0.000 0.197 139 D C 1.541 177.847 176.300 0.009 0.000 0.984 139 D CA 0.995 54.991 54.000 -0.007 0.000 0.826 139 D CB -0.491 40.261 40.800 -0.080 0.000 0.973 139 D HN 0.437 nan 8.370 nan 0.000 0.460 140 F N 1.412 121.377 119.950 0.024 0.000 2.063 140 F HA -0.211 4.315 4.527 -0.001 0.000 0.298 140 F C 2.384 178.205 175.800 0.035 0.000 1.109 140 F CA 1.450 59.481 58.000 0.052 0.000 1.212 140 F CB -0.324 38.740 39.000 0.107 0.000 0.973 140 F HN -0.089 nan 8.300 nan 0.000 0.480 141 K N 0.319 120.855 120.400 0.227 0.000 2.097 141 K HA -0.136 4.184 4.320 -0.001 0.000 0.206 141 K C 2.116 178.760 176.600 0.074 0.000 1.049 141 K CA 1.262 57.624 56.287 0.126 0.000 0.933 141 K CB -0.285 32.267 32.500 0.087 0.000 0.717 141 K HN 0.220 nan 8.250 nan 0.000 0.442 142 A N 0.607 123.458 122.820 0.052 0.000 2.067 142 A HA 0.035 4.354 4.320 -0.001 0.000 0.217 142 A C 1.809 179.399 177.584 0.011 0.000 1.156 142 A CA 0.767 52.817 52.037 0.021 0.000 0.683 142 A CB -0.148 18.855 19.000 0.005 0.000 0.808 142 A HN 0.323 nan 8.150 nan 0.000 0.455 143 L N -1.526 119.701 121.223 0.006 0.000 2.585 143 L HA 0.256 4.596 4.340 -0.001 0.000 0.226 143 L C 1.473 178.351 176.870 0.014 0.000 1.113 143 L CA 0.478 55.311 54.840 -0.012 0.000 0.876 143 L CB 0.074 42.096 42.059 -0.062 0.000 1.072 143 L HN 0.503 nan 8.230 nan 0.000 0.468 144 G N 1.102 109.929 108.800 0.045 0.000 2.198 144 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.257 144 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.257 144 G C -0.100 174.850 174.900 0.083 0.000 1.042 144 G CA 0.145 45.282 45.100 0.061 0.000 0.791 144 G HN 0.116 nan 8.290 nan 0.000 0.502 145 V N 0.160 120.147 119.914 0.123 0.000 2.581 145 V HA 0.730 4.850 4.120 -0.001 0.000 0.303 145 V C 0.892 177.186 176.094 0.334 0.000 1.041 145 V CA -0.080 62.326 62.300 0.176 0.000 0.907 145 V CB 1.880 33.759 31.823 0.094 0.000 0.994 145 V HN 0.701 nan 8.190 nan 0.000 0.442 146 S N 2.587 118.445 115.700 0.262 0.000 2.505 146 S HA 0.123 4.592 4.470 -0.001 0.000 0.276 146 S C 1.063 175.796 174.600 0.222 0.000 1.274 146 S CA -0.228 58.099 58.200 0.212 0.000 1.053 146 S CB 0.180 63.451 63.200 0.119 0.000 0.919 146 S HN 0.886 nan 8.310 nan 0.000 0.490 147 H N 4.010 123.012 119.070 -0.113 0.000 2.389 147 H HA -0.010 4.546 4.556 -0.000 0.000 0.299 147 H C 1.371 176.546 175.328 -0.255 0.000 1.081 147 H CA 1.627 57.325 56.048 -0.583 0.000 1.345 147 H CB 0.258 29.572 29.762 -0.746 0.000 1.393 147 H HN 0.715 nan 8.280 nan 0.000 0.520 148 E N 0.148 120.319 120.200 -0.048 0.000 2.077 148 E HA -0.101 4.249 4.350 -0.001 0.000 0.193 148 E C 1.782 178.346 176.600 -0.060 0.000 0.989 148 E CA 1.713 58.090 56.400 -0.038 0.000 0.800 148 E CB -0.383 29.325 29.700 0.013 0.000 0.746 148 E HN 0.600 nan 8.360 nan 0.000 0.452 149 T N -0.682 113.860 114.554 -0.019 0.000 3.312 149 T HA 0.140 4.489 4.350 -0.001 0.000 0.251 149 T C 1.360 176.072 174.700 0.020 0.000 1.012 149 T CA -0.322 61.781 62.100 0.004 0.000 0.925 149 T CB -0.156 68.731 68.868 0.032 0.000 1.049 149 T HN 0.173 nan 8.240 nan 0.000 0.583 150 R N 0.827 121.317 120.500 -0.017 0.000 2.148 150 R HA 0.058 4.398 4.340 -0.001 0.000 0.227 150 R C 2.270 178.607 176.300 0.063 0.000 1.103 150 R CA 1.383 57.522 56.100 0.065 0.000 0.983 150 R CB -1.168 29.163 30.300 0.051 0.000 0.874 150 R HN 0.388 nan 8.270 nan 0.000 0.451 151 G N 1.310 110.103 108.800 -0.013 0.000 2.408 151 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.217 151 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.217 151 G C 1.334 176.245 174.900 0.019 0.000 1.150 151 G CA 0.722 45.806 45.100 -0.027 0.000 0.776 151 G HN 0.555 nan 8.290 nan 0.000 0.542 152 E N 0.195 120.410 120.200 0.026 0.000 2.046 152 E HA -0.083 4.267 4.350 -0.001 0.000 0.190 152 E C 2.327 178.964 176.600 0.062 0.000 0.982 152 E CA 0.966 57.387 56.400 0.036 0.000 0.800 152 E CB -0.155 29.565 29.700 0.034 0.000 0.756 152 E HN 0.393 nan 8.360 nan 0.000 0.449 153 K N -0.222 120.225 120.400 0.078 0.000 2.097 153 K HA -0.183 4.137 4.320 -0.001 0.000 0.206 153 K C 2.028 178.681 176.600 0.088 0.000 1.049 153 K CA 1.337 57.669 56.287 0.075 0.000 0.933 153 K CB -0.293 32.258 32.500 0.084 0.000 0.717 153 K HN 0.137 nan 8.250 nan 0.000 0.442 154 F N 1.703 121.645 119.950 -0.014 0.000 2.095 154 F HA -0.209 4.317 4.527 -0.001 0.000 0.298 154 F C 2.158 177.966 175.800 0.014 0.000 1.104 154 F CA 1.619 59.612 58.000 -0.012 0.000 1.232 154 F CB -0.053 38.902 39.000 -0.075 0.000 0.987 154 F HN -0.055 nan 8.300 nan 0.000 0.475 155 R N -0.218 120.305 120.500 0.039 0.000 2.081 155 R HA -0.200 4.140 4.340 -0.001 0.000 0.235 155 R C 2.174 178.524 176.300 0.083 0.000 1.131 155 R CA 1.689 57.802 56.100 0.021 0.000 0.960 155 R CB -0.516 29.796 30.300 0.020 0.000 0.856 155 R HN 0.317 nan 8.270 nan 0.000 0.436 156 E N 0.787 121.021 120.200 0.057 0.000 2.047 156 E HA -0.139 4.211 4.350 -0.001 0.000 0.191 156 E C 1.843 178.473 176.600 0.049 0.000 0.987 156 E CA 1.570 58.011 56.400 0.070 0.000 0.799 156 E CB -0.152 29.581 29.700 0.056 0.000 0.752 156 E HN 0.310 nan 8.360 nan 0.000 0.449 157 A N 0.009 122.804 122.820 -0.042 0.000 1.883 157 A HA -0.172 4.147 4.320 -0.001 0.000 0.217 157 A C 2.232 179.762 177.584 -0.089 0.000 1.186 157 A CA 1.567 53.526 52.037 -0.130 0.000 0.624 157 A CB -1.089 17.797 19.000 -0.189 0.000 0.822 157 A HN 0.478 nan 8.150 nan 0.000 0.444 158 F N 0.859 120.643 119.950 -0.277 0.000 2.095 158 F HA -0.120 4.407 4.527 -0.001 0.000 0.298 158 F C 2.574 178.363 175.800 -0.020 0.000 1.104 158 F CA 1.376 59.254 58.000 -0.202 0.000 1.232 158 F CB -0.390 38.457 39.000 -0.254 0.000 0.987 158 F HN 0.254 nan 8.300 nan 0.000 0.475 159 A N -0.800 122.115 122.820 0.160 0.000 1.902 159 A HA -0.270 4.049 4.320 -0.001 0.000 0.217 159 A C 2.200 179.815 177.584 0.053 0.000 1.181 159 A CA 1.736 53.840 52.037 0.112 0.000 0.623 159 A CB -1.674 17.421 19.000 0.158 0.000 0.818 159 A HN 0.674 nan 8.150 nan 0.000 0.443 160 Y N -0.444 119.807 120.300 -0.081 0.000 2.200 160 Y HA -0.148 4.402 4.550 -0.000 0.000 0.290 160 Y C 2.124 177.935 175.900 -0.149 0.000 1.137 160 Y CA 1.365 59.407 58.100 -0.096 0.000 1.163 160 Y CB -0.080 38.322 38.460 -0.098 0.000 0.988 160 Y HN 0.303 nan 8.280 nan 0.000 0.518 161 L N 0.902 122.161 121.223 0.059 0.000 2.042 161 L HA -0.219 4.120 4.340 -0.001 0.000 0.210 161 L C 1.979 178.727 176.870 -0.204 0.000 1.076 161 L CA 2.050 56.828 54.840 -0.103 0.000 0.749 161 L CB -0.650 41.264 42.059 -0.241 0.000 0.893 161 L HN 0.246 nan 8.230 nan 0.000 0.432 162 E N -0.819 119.230 120.200 -0.252 0.000 2.208 162 E HA -0.151 4.198 4.350 -0.001 0.000 0.193 162 E C 1.957 178.516 176.600 -0.068 0.000 0.988 162 E CA 0.754 57.050 56.400 -0.174 0.000 0.828 162 E CB -0.009 29.609 29.700 -0.137 0.000 0.763 162 E HN 0.585 nan 8.360 nan 0.000 0.478 163 E N 0.872 121.033 120.200 -0.065 0.000 2.028 163 E HA -0.147 4.203 4.350 -0.001 0.000 0.191 163 E C 2.125 178.668 176.600 -0.096 0.000 0.988 163 E CA 0.605 56.968 56.400 -0.061 0.000 0.799 163 E CB -0.154 29.482 29.700 -0.106 0.000 0.755 163 E HN 0.170 nan 8.360 nan 0.000 0.447 164 I N 1.052 121.556 120.570 -0.109 0.000 2.439 164 I HA -0.161 4.009 4.170 -0.001 0.000 0.251 164 I C 2.232 178.246 176.117 -0.171 0.000 1.139 164 I CA 0.696 61.934 61.300 -0.104 0.000 1.438 164 I CB -0.073 37.948 38.000 0.034 0.000 1.085 164 I HN 0.025 nan 8.210 nan 0.000 0.427 165 L N -1.193 119.842 121.223 -0.314 0.000 2.156 165 L HA -0.171 4.169 4.340 -0.001 0.000 0.208 165 L C 1.229 177.788 176.870 -0.517 0.000 1.095 165 L CA 1.391 55.894 54.840 -0.562 0.000 0.770 165 L CB -0.198 41.207 42.059 -1.091 0.000 0.914 165 L HN 0.300 nan 8.230 nan 0.000 0.439 166 Y N -1.669 118.601 120.300 -0.049 0.000 2.527 166 Y HA 0.260 4.810 4.550 -0.000 0.000 0.247 166 Y C 0.402 176.280 175.900 -0.036 0.000 1.138 166 Y CA -0.566 57.508 58.100 -0.044 0.000 1.228 166 Y CB 0.747 39.174 38.460 -0.055 0.000 1.252 166 Y HN -0.102 nan 8.280 nan 0.000 0.531 167 K N 1.058 121.495 120.400 0.061 0.000 2.328 167 K HA 0.328 4.648 4.320 -0.001 0.000 0.246 167 K C -0.987 175.626 176.600 0.022 0.000 0.955 167 K CA -1.026 55.288 56.287 0.046 0.000 0.817 167 K CB 1.250 33.768 32.500 0.030 0.000 1.208 167 K HN -0.076 nan 8.250 nan 0.000 0.432 168 N N 2.274 121.016 118.700 0.071 0.000 2.414 168 N HA 0.194 4.933 4.740 -0.001 0.000 0.256 168 N C -0.736 174.923 175.510 0.248 0.000 1.029 168 N CA -0.157 52.976 53.050 0.139 0.000 0.948 168 N CB 0.023 38.628 38.487 0.198 0.000 1.102 168 N HN 0.533 nan 8.380 nan 0.000 0.496 169 F N 0.035 119.978 119.950 -0.011 0.000 2.773 169 F HA -0.190 4.337 4.527 -0.000 0.000 0.251 169 F C -1.538 174.254 175.800 -0.014 0.000 1.020 169 F CA -0.454 57.539 58.000 -0.012 0.000 0.924 169 F CB -1.589 37.410 39.000 -0.002 0.000 0.919 169 F HN 0.377 nan 8.300 nan 0.000 0.846 170 P HA 0.255 nan 4.420 nan 0.000 0.276 170 P C -0.280 177.028 177.300 0.013 0.000 1.252 170 P CA -0.347 62.764 63.100 0.018 0.000 0.802 170 P CB 1.282 32.950 31.700 -0.054 0.000 1.035 171 S N 1.027 116.752 115.700 0.042 0.000 2.452 171 S HA 0.458 4.927 4.470 -0.001 0.000 0.284 171 S C 0.261 174.835 174.600 -0.043 0.000 1.171 171 S CA -0.403 57.852 58.200 0.091 0.000 1.064 171 S CB -0.302 63.013 63.200 0.191 0.000 0.967 171 S HN 0.269 nan 8.310 nan 0.000 0.484 172 I N 3.347 123.776 120.570 -0.235 0.000 2.468 172 I HA 0.291 4.461 4.170 -0.001 0.000 0.285 172 I C -0.652 175.313 176.117 -0.253 0.000 1.039 172 I CA -0.423 60.699 61.300 -0.295 0.000 1.074 172 I CB 1.888 39.560 38.000 -0.547 0.000 1.228 172 I HN 0.459 nan 8.210 nan 0.000 0.436 173 Q N 4.621 124.387 119.800 -0.057 0.000 2.454 173 Q HA 0.475 4.815 4.340 -0.001 0.000 0.255 173 Q C -0.751 175.271 176.000 0.035 0.000 1.034 173 Q CA -0.229 55.601 55.803 0.044 0.000 0.736 173 Q CB 2.144 30.963 28.738 0.135 0.000 1.210 173 Q HN 0.622 nan 8.270 nan 0.000 0.500 174 S N -0.093 115.637 115.700 0.049 0.000 2.595 174 S HA 0.357 4.827 4.470 -0.001 0.000 0.281 174 S C 0.990 175.660 174.600 0.115 0.000 1.117 174 S CA -0.256 58.002 58.200 0.097 0.000 0.873 174 S CB 1.350 64.653 63.200 0.171 0.000 1.108 174 S HN 0.632 nan 8.310 nan 0.000 0.477 175 T N 1.524 116.140 114.554 0.104 0.000 2.977 175 T HA 0.026 4.376 4.350 -0.001 0.000 0.271 175 T C 1.583 176.344 174.700 0.101 0.000 1.105 175 T CA 1.035 63.188 62.100 0.089 0.000 1.116 175 T CB -0.534 68.375 68.868 0.069 0.000 0.878 175 T HN 0.532 nan 8.240 nan 0.000 0.509 176 L N 0.295 121.598 121.223 0.132 0.000 2.446 176 L HA 0.460 4.799 4.340 -0.001 0.000 0.219 176 L C 1.468 178.517 176.870 0.299 0.000 1.116 176 L CA 0.263 55.175 54.840 0.121 0.000 0.844 176 L CB -0.276 41.723 42.059 -0.099 0.000 0.970 176 L HN 0.659 nan 8.230 nan 0.000 0.457 177 G N 0.234 109.215 108.800 0.303 0.000 2.359 177 G HA2 0.167 4.127 3.960 -0.001 0.000 0.293 177 G HA3 0.167 4.127 3.960 -0.001 0.000 0.293 177 G C -1.876 173.127 174.900 0.171 0.000 1.300 177 G CA -0.706 44.555 45.100 0.268 0.000 0.888 177 G HN 0.056 nan 8.290 nan 0.000 0.541 178 E N -1.659 118.577 120.200 0.061 0.000 2.314 178 E HA 0.639 4.989 4.350 -0.001 0.000 0.272 178 E C -1.504 174.964 176.600 -0.220 0.000 0.884 178 E CA -1.212 55.115 56.400 -0.121 0.000 0.753 178 E CB 2.731 32.399 29.700 -0.053 0.000 1.213 178 E HN 1.497 nan 8.360 nan 0.000 0.432 179 V N 2.682 122.313 119.914 -0.471 0.000 2.482 179 V HA 0.443 4.562 4.120 -0.001 0.000 0.295 179 V C -1.836 173.911 176.094 -0.579 0.000 1.026 179 V CA -0.285 61.788 62.300 -0.378 0.000 0.856 179 V CB 1.398 33.081 31.823 -0.233 0.000 1.001 179 V HN 0.808 nan 8.190 nan 0.000 0.424 180 H N 5.236 124.314 119.070 0.012 0.000 3.108 180 H HA 0.586 5.142 4.556 -0.001 0.000 0.301 180 H C 0.795 176.166 175.328 0.071 0.000 1.139 180 H CA 0.090 56.160 56.048 0.036 0.000 1.552 180 H CB 1.442 31.218 29.762 0.024 0.000 1.663 180 H HN 1.211 nan 8.280 nan 0.000 0.517 181 G N 1.534 110.470 108.800 0.226 0.000 2.211 181 G HA2 -0.078 3.882 3.960 -0.001 0.000 0.201 181 G HA3 -0.078 3.882 3.960 -0.001 0.000 0.201 181 G C 0.161 175.283 174.900 0.370 0.000 0.997 181 G CA -0.044 45.219 45.100 0.272 0.000 0.652 181 G HN 0.866 nan 8.290 nan 0.000 0.500 182 A N -0.557 122.356 122.820 0.156 0.000 2.387 182 A HA 0.903 5.222 4.320 -0.001 0.000 0.303 182 A C -0.478 176.816 177.584 -0.482 0.000 1.145 182 A CA -0.029 51.964 52.037 -0.073 0.000 0.801 182 A CB 1.750 20.716 19.000 -0.057 0.000 1.342 182 A HN 0.930 nan 8.150 nan 0.000 0.440 183 N N -1.007 117.295 118.700 -0.663 0.000 2.277 183 N HA 0.491 5.231 4.740 -0.001 0.000 0.286 183 N C -1.625 173.648 175.510 -0.395 0.000 1.140 183 N CA -0.531 52.038 53.050 -0.800 0.000 0.799 183 N CB 1.495 39.015 38.487 -1.612 0.000 1.596 183 N HN 0.628 nan 8.380 nan 0.000 0.473 184 L N 3.366 124.421 121.223 -0.280 0.000 2.331 184 L HA 0.622 4.962 4.340 -0.001 0.000 0.278 184 L C -0.822 175.960 176.870 -0.147 0.000 1.106 184 L CA -0.287 54.450 54.840 -0.173 0.000 0.824 184 L CB 0.567 42.548 42.059 -0.131 0.000 1.142 184 L HN 0.397 nan 8.230 nan 0.000 0.443 185 V N 4.072 123.920 119.914 -0.111 0.000 2.789 185 V HA 0.793 4.913 4.120 -0.001 0.000 0.311 185 V C -2.596 173.460 176.094 -0.064 0.000 1.073 185 V CA -1.480 60.774 62.300 -0.077 0.000 0.921 185 V CB 1.461 33.247 31.823 -0.062 0.000 1.009 185 V HN 0.786 nan 8.190 nan 0.000 0.426 186 P HA 0.442 nan 4.420 nan 0.000 0.277 186 P C -1.188 176.086 177.300 -0.042 0.000 1.271 186 P CA -0.335 62.739 63.100 -0.043 0.000 0.795 186 P CB 0.872 32.548 31.700 -0.039 0.000 1.101 187 K N 0.699 121.085 120.400 -0.023 0.000 2.123 187 K HA 0.453 4.773 4.320 -0.001 0.000 0.259 187 K C -2.194 174.419 176.600 0.022 0.000 0.960 187 K CA -2.372 53.911 56.287 -0.007 0.000 0.872 187 K CB 0.413 32.925 32.500 0.018 0.000 1.079 187 K HN 0.373 nan 8.250 nan 0.000 0.440 188 P HA 0.062 nan 4.420 nan 0.000 0.271 188 P C 0.449 177.809 177.300 0.101 0.000 1.218 188 P CA -0.014 63.139 63.100 0.089 0.000 0.780 188 P CB 0.977 32.769 31.700 0.153 0.000 0.901 189 S N 1.226 116.972 115.700 0.077 0.000 2.428 189 S HA -0.021 4.449 4.470 -0.001 0.000 0.230 189 S C 0.751 175.398 174.600 0.079 0.000 1.014 189 S CA 1.035 59.271 58.200 0.060 0.000 0.957 189 S CB -0.141 63.078 63.200 0.031 0.000 0.784 189 S HN 0.391 nan 8.310 nan 0.000 0.499 190 K N 0.707 121.181 120.400 0.124 0.000 2.395 190 K HA 0.400 4.720 4.320 -0.001 0.000 0.245 190 K C -0.616 176.108 176.600 0.207 0.000 1.017 190 K CA -0.970 55.405 56.287 0.147 0.000 0.852 190 K CB 0.850 33.475 32.500 0.210 0.000 1.311 190 K HN -0.020 nan 8.250 nan 0.000 0.452 191 R N 0.859 121.416 120.500 0.095 0.000 2.638 191 R HA 0.020 4.360 4.340 -0.001 0.000 0.268 191 R C -0.276 176.232 176.300 0.346 0.000 1.006 191 R CA 0.097 56.228 56.100 0.052 0.000 1.088 191 R CB -0.038 30.092 30.300 -0.282 0.000 0.950 191 R HN 0.257 nan 8.270 nan 0.000 0.419 192 V N 6.230 126.368 119.914 0.373 0.000 2.383 192 V HA 0.169 4.289 4.120 -0.001 0.000 0.275 192 V C -1.931 174.229 176.094 0.111 0.000 1.036 192 V CA -2.027 60.430 62.300 0.261 0.000 0.889 192 V CB 1.373 33.325 31.823 0.215 0.000 0.985 192 V HN 0.601 nan 8.190 nan 0.000 0.459 193 P HA 0.187 nan 4.420 nan 0.000 0.267 193 P C -0.367 176.543 177.300 -0.651 0.000 1.209 193 P CA 0.292 63.039 63.100 -0.588 0.000 0.763 193 P CB 0.285 31.534 31.700 -0.753 0.000 0.816 194 T N 4.497 118.692 114.554 -0.597 0.000 2.809 194 T HA 0.529 4.879 4.350 -0.001 0.000 0.284 194 T C -0.628 173.899 174.700 -0.290 0.000 0.992 194 T CA -0.187 61.729 62.100 -0.305 0.000 0.957 194 T CB 0.136 69.046 68.868 0.071 0.000 0.942 194 T HN 0.080 nan 8.240 nan 0.000 0.439 195 F N 3.021 123.116 119.950 0.240 0.000 2.482 195 F HA 0.528 5.055 4.527 -0.001 0.000 0.331 195 F C 0.349 176.280 175.800 0.219 0.000 1.115 195 F CA -1.520 56.592 58.000 0.187 0.000 0.955 195 F CB 1.163 40.218 39.000 0.092 0.000 1.136 195 F HN 0.236 nan 8.300 nan 0.000 0.452 196 I N 2.321 123.131 120.570 0.399 0.000 2.471 196 I HA 0.122 4.292 4.170 -0.001 0.000 0.286 196 I C 0.357 176.565 176.117 0.153 0.000 1.079 196 I CA 0.125 61.607 61.300 0.302 0.000 1.398 196 I CB 0.499 38.664 38.000 0.274 0.000 1.403 196 I HN 0.553 nan 8.210 nan 0.000 0.530 197 T N 5.132 119.732 114.554 0.077 0.000 2.795 197 T HA 0.588 4.938 4.350 -0.001 0.000 0.282 197 T C 0.613 175.237 174.700 -0.126 0.000 0.980 197 T CA 0.451 62.506 62.100 -0.075 0.000 1.012 197 T CB 1.534 70.389 68.868 -0.023 0.000 0.936 197 T HN 1.071 nan 8.240 nan 0.000 0.457 198 G N 2.499 111.160 108.800 -0.232 0.000 2.575 198 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.267 198 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.267 198 G C 0.353 175.368 174.900 0.193 0.000 1.264 198 G CA 0.197 45.316 45.100 0.032 0.000 0.935 198 G HN 0.617 nan 8.290 nan 0.000 0.568 199 F N 0.911 121.006 119.950 0.241 0.000 2.569 199 F HA 0.298 4.825 4.527 -0.001 0.000 0.295 199 F C 2.344 178.112 175.800 -0.055 0.000 1.115 199 F CA 1.440 59.507 58.000 0.112 0.000 1.450 199 F CB 0.095 39.257 39.000 0.270 0.000 1.107 199 F HN 0.585 nan 8.300 nan 0.000 0.563 200 S N 1.088 116.795 115.700 0.012 0.000 3.533 200 S HA -0.288 4.182 4.470 -0.001 0.000 0.347 200 S C 0.571 174.960 174.600 -0.352 0.000 1.101 200 S CA 0.644 58.631 58.200 -0.355 0.000 1.009 200 S CB -1.175 61.486 63.200 -0.898 0.000 0.916 200 S HN 0.588 nan 8.310 nan 0.000 0.496 201 Q N -2.929 116.832 119.800 -0.066 0.000 2.416 201 Q HA -0.201 4.139 4.340 -0.001 0.000 0.235 201 Q C 0.066 176.025 176.000 -0.070 0.000 0.773 201 Q CA 1.649 57.415 55.803 -0.061 0.000 1.286 201 Q CB -1.047 27.618 28.738 -0.123 0.000 1.556 201 Q HN 0.775 nan 8.270 nan 0.000 0.650 202 Q N 0.833 120.621 119.800 -0.021 0.000 2.195 202 Q HA 0.470 4.810 4.340 -0.001 0.000 0.250 202 Q C 0.896 177.035 176.000 0.231 0.000 0.988 202 Q CA -0.382 55.405 55.803 -0.028 0.000 0.911 202 Q CB 0.693 29.309 28.738 -0.203 0.000 1.258 202 Q HN 0.447 nan 8.270 nan 0.000 0.475 206 W N 1.923 123.036 121.300 -0.312 0.000 2.378 206 W HA -0.144 4.515 4.660 -0.000 0.000 0.313 206 W C 1.719 178.217 176.519 -0.035 0.000 1.197 206 W CA 2.220 59.516 57.345 -0.081 0.000 1.304 206 W CB -0.007 29.471 29.460 0.031 0.000 1.148 206 W HN 0.124 nan 8.180 nan 0.000 0.494 207 F N -0.555 119.580 119.950 0.309 0.000 2.804 207 F HA 0.436 4.963 4.527 -0.001 0.000 0.303 207 F C 1.539 177.426 175.800 0.144 0.000 1.154 207 F CA 0.359 58.442 58.000 0.139 0.000 1.401 207 F CB -1.542 37.484 39.000 0.044 0.000 1.106 207 F HN -0.085 nan 8.300 nan 0.000 0.568 208 A N 0.746 123.509 122.820 -0.095 0.000 1.943 208 A HA 0.006 4.326 4.320 -0.001 0.000 0.213 208 A C 2.168 179.570 177.584 -0.303 0.000 1.181 208 A CA 1.100 53.042 52.037 -0.159 0.000 0.653 208 A CB -0.473 18.279 19.000 -0.413 0.000 0.833 208 A HN 0.438 nan 8.150 nan 0.000 0.451 209 E N -0.503 119.342 120.200 -0.592 0.000 2.250 209 E HA -0.016 4.334 4.350 -0.001 0.000 0.192 209 E C 0.297 176.564 176.600 -0.555 0.000 0.986 209 E CA 0.314 56.347 56.400 -0.612 0.000 0.849 209 E CB -0.038 29.050 29.700 -1.019 0.000 0.797 209 E HN 0.658 nan 8.360 nan 0.000 0.482 210 H N -0.595 118.201 119.070 -0.456 0.000 2.569 210 H HA 0.540 5.096 4.556 -0.000 0.000 0.357 210 H C 0.468 175.692 175.328 -0.173 0.000 1.153 210 H CA -0.228 55.552 56.048 -0.448 0.000 1.193 210 H CB 1.540 30.551 29.762 -1.252 0.000 1.602 210 H HN 0.310 nan 8.280 nan 0.000 0.523 211 G N 1.701 110.651 108.800 0.250 0.000 2.756 211 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.678 211 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.678 211 G C -0.244 174.817 174.900 0.270 0.000 1.349 211 G CA -0.184 45.121 45.100 0.342 0.000 0.847 211 G HN 0.649 nan 8.290 nan 0.000 0.548 212 D N 0.690 121.253 120.400 0.272 0.000 2.433 212 D HA 0.444 5.083 4.640 -0.001 0.000 0.211 212 D C 1.132 177.717 176.300 0.475 0.000 1.114 212 D CA 1.450 55.624 54.000 0.291 0.000 0.837 212 D CB 1.010 41.891 40.800 0.135 0.000 0.984 212 D HN 1.362 nan 8.370 nan 0.000 0.505 213 G N -0.029 109.147 108.800 0.627 0.000 2.313 213 G HA2 0.265 4.224 3.960 -0.001 0.000 0.296 213 G HA3 0.265 4.224 3.960 -0.001 0.000 0.296 213 G C -2.311 172.865 174.900 0.459 0.000 1.356 213 G CA -0.906 44.570 45.100 0.626 0.000 0.833 213 G HN -0.003 nan 8.290 nan 0.000 0.552 217 Y N 2.861 122.543 120.300 -1.030 0.000 2.426 217 Y HA 0.291 4.840 4.550 -0.000 0.000 0.344 217 Y C -1.917 173.752 175.900 -0.384 0.000 1.256 217 Y CA -1.370 56.343 58.100 -0.644 0.000 1.451 217 Y CB -0.188 37.861 38.460 -0.684 0.000 1.342 217 Y HN 0.224 nan 8.280 nan 0.000 0.600 218 P HA 0.050 nan 4.420 nan 0.000 0.261 218 P C -0.642 176.631 177.300 -0.044 0.000 1.203 218 P CA 0.445 63.482 63.100 -0.105 0.000 0.767 218 P CB 0.462 32.104 31.700 -0.097 0.000 0.785 219 R N 1.399 121.917 120.500 0.031 0.000 2.837 219 R HA 0.446 4.786 4.340 -0.001 0.000 0.271 219 R C 0.090 176.531 176.300 0.236 0.000 0.993 219 R CA -1.014 55.120 56.100 0.057 0.000 0.931 219 R CB 1.237 31.516 30.300 -0.035 0.000 1.206 219 R HN 0.452 nan 8.270 nan 0.000 0.474 220 S N 0.980 116.815 115.700 0.225 0.000 2.573 220 S HA 0.104 4.573 4.470 -0.001 0.000 0.277 220 S C -1.593 173.146 174.600 0.231 0.000 1.346 220 S CA -0.615 57.749 58.200 0.273 0.000 1.034 220 S CB 0.736 64.059 63.200 0.206 0.000 0.879 220 S HN 0.309 nan 8.310 nan 0.000 0.528 221 P HA -0.066 nan 4.420 nan 0.000 0.218 221 P C 1.511 178.833 177.300 0.036 0.000 1.149 221 P CA 0.704 63.764 63.100 -0.066 0.000 0.817 221 P CB -0.243 31.195 31.700 -0.436 0.000 0.785 222 V N -0.965 118.979 119.914 0.050 0.000 2.307 222 V HA -0.269 3.850 4.120 -0.001 0.000 0.245 222 V C 2.409 178.581 176.094 0.130 0.000 1.045 222 V CA 2.014 64.351 62.300 0.062 0.000 1.024 222 V CB -1.689 30.159 31.823 0.042 0.000 0.651 222 V HN 0.213 nan 8.190 nan 0.000 0.449 223 H N -0.584 118.527 119.070 0.068 0.000 2.389 223 H HA -0.193 4.362 4.556 -0.001 0.000 0.299 223 H C 2.449 177.843 175.328 0.110 0.000 1.081 223 H CA 1.509 57.613 56.048 0.093 0.000 1.345 223 H CB 0.375 30.202 29.762 0.108 0.000 1.393 223 H HN 0.362 nan 8.280 nan 0.000 0.520 224 Q N -0.013 119.942 119.800 0.258 0.000 2.269 224 Q HA 0.079 4.419 4.340 -0.001 0.000 0.201 224 Q C 2.218 178.250 176.000 0.055 0.000 0.946 224 Q CA 0.931 56.816 55.803 0.136 0.000 0.877 224 Q CB -0.013 28.796 28.738 0.119 0.000 0.963 224 Q HN 0.521 nan 8.270 nan 0.000 0.472 225 A N -0.166 122.699 122.820 0.076 0.000 1.908 225 A HA -0.122 4.198 4.320 -0.001 0.000 0.218 225 A C 2.191 179.815 177.584 0.066 0.000 1.181 225 A CA 1.726 53.788 52.037 0.042 0.000 0.627 225 A CB -1.382 17.646 19.000 0.047 0.000 0.818 225 A HN 0.520 nan 8.150 nan 0.000 0.445 226 G N -0.524 108.339 108.800 0.104 0.000 2.459 226 G HA2 -0.033 3.926 3.960 -0.001 0.000 0.217 226 G HA3 -0.033 3.926 3.960 -0.001 0.000 0.217 226 G C 1.803 176.799 174.900 0.160 0.000 1.183 226 G CA 1.682 46.855 45.100 0.122 0.000 0.776 226 G HN 0.841 nan 8.290 nan 0.000 0.552 227 A N 0.870 123.807 122.820 0.195 0.000 1.883 227 A HA -0.011 4.309 4.320 -0.001 0.000 0.217 227 A C 2.432 180.224 177.584 0.347 0.000 1.186 227 A CA 1.498 53.707 52.037 0.286 0.000 0.624 227 A CB -0.437 18.750 19.000 0.312 0.000 0.822 227 A HN 0.397 nan 8.150 nan 0.000 0.444 228 I N -0.243 120.414 120.570 0.146 0.000 2.208 228 I HA -0.252 3.917 4.170 -0.001 0.000 0.245 228 I C 2.698 178.991 176.117 0.292 0.000 1.097 228 I CA 1.232 62.620 61.300 0.147 0.000 1.363 228 I CB -0.795 37.068 38.000 -0.229 0.000 1.051 228 I HN 0.408 nan 8.210 nan 0.000 0.413 229 G N 0.034 108.942 108.800 0.180 0.000 2.421 229 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.216 229 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.216 229 G C 1.606 176.599 174.900 0.155 0.000 1.171 229 G CA 0.373 45.562 45.100 0.148 0.000 0.775 229 G HN 0.309 nan 8.290 nan 0.000 0.543 230 Q N -0.862 119.045 119.800 0.180 0.000 2.123 230 Q HA -0.092 4.248 4.340 -0.001 0.000 0.199 230 Q C 2.163 178.264 176.000 0.168 0.000 0.966 230 Q CA 0.969 56.861 55.803 0.148 0.000 0.845 230 Q CB -0.314 28.508 28.738 0.140 0.000 0.907 230 Q HN 0.709 nan 8.270 nan 0.000 0.439 231 W N 2.337 123.671 121.300 0.056 0.000 2.333 231 W HA -0.172 4.488 4.660 -0.000 0.000 0.316 231 W C 2.026 178.582 176.519 0.061 0.000 1.215 231 W CA 1.540 58.898 57.345 0.021 0.000 1.278 231 W CB -0.147 29.389 29.460 0.127 0.000 1.154 231 W HN -0.019 nan 8.180 nan 0.000 0.486 232 R N 0.176 120.651 120.500 -0.041 0.000 2.115 232 R HA -0.135 4.205 4.340 -0.001 0.000 0.230 232 R C 2.039 178.234 176.300 -0.175 0.000 1.111 232 R CA 1.692 57.628 56.100 -0.273 0.000 0.976 232 R CB -0.575 29.698 30.300 -0.045 0.000 0.870 232 R HN 0.406 nan 8.270 nan 0.000 0.445 233 E N 0.752 120.915 120.200 -0.062 0.000 2.085 233 E HA -0.184 4.166 4.350 -0.001 0.000 0.194 233 E C 2.085 178.652 176.600 -0.055 0.000 0.994 233 E CA 1.098 57.475 56.400 -0.038 0.000 0.801 233 E CB -0.106 29.596 29.700 0.002 0.000 0.743 233 E HN 0.265 nan 8.360 nan 0.000 0.453 234 L N 0.364 121.547 121.223 -0.066 0.000 2.056 234 L HA -0.176 4.163 4.340 -0.001 0.000 0.207 234 L C 2.477 179.348 176.870 0.001 0.000 1.078 234 L CA 0.621 55.463 54.840 0.004 0.000 0.749 234 L CB -0.372 41.682 42.059 -0.008 0.000 0.901 234 L HN 0.047 nan 8.230 nan 0.000 0.433 235 V N 0.045 119.799 119.914 -0.268 0.000 2.332 235 V HA -0.307 3.812 4.120 -0.001 0.000 0.248 235 V C 2.561 178.604 176.094 -0.085 0.000 1.055 235 V CA 2.113 64.256 62.300 -0.262 0.000 1.038 235 V CB -0.480 30.986 31.823 -0.594 0.000 0.651 235 V HN 0.478 nan 8.190 nan 0.000 0.450 236 E N 0.598 120.738 120.200 -0.101 0.000 2.110 236 E HA -0.221 4.129 4.350 -0.001 0.000 0.193 236 E C 1.748 178.316 176.600 -0.054 0.000 0.988 236 E CA 1.696 58.061 56.400 -0.057 0.000 0.804 236 E CB -0.356 29.315 29.700 -0.049 0.000 0.745 236 E HN 0.625 nan 8.360 nan 0.000 0.458 237 D N -0.611 119.756 120.400 -0.055 0.000 2.097 237 D HA -0.180 4.459 4.640 -0.001 0.000 0.195 237 D C 1.816 177.988 176.300 -0.213 0.000 0.989 237 D CA 1.342 55.261 54.000 -0.136 0.000 0.827 237 D CB -0.507 40.181 40.800 -0.186 0.000 0.966 237 D HN 0.388 nan 8.370 nan 0.000 0.456 238 Y N -0.347 119.808 120.300 -0.242 0.000 2.337 238 Y HA -0.020 4.530 4.550 -0.001 0.000 0.293 238 Y C 0.892 176.367 175.900 -0.710 0.000 1.123 238 Y CA 0.825 58.654 58.100 -0.451 0.000 1.201 238 Y CB 0.321 38.501 38.460 -0.466 0.000 1.011 238 Y HN 0.067 nan 8.280 nan 0.000 0.545 239 H N -0.380 118.667 119.070 -0.038 0.000 2.538 239 H HA 0.215 4.771 4.556 -0.001 0.000 0.239 239 H C -2.807 172.440 175.328 -0.136 0.000 1.401 239 H CA -2.029 53.932 56.048 -0.144 0.000 1.499 239 H CB 0.415 29.982 29.762 -0.325 0.000 1.624 239 H HN 0.008 nan 8.280 nan 0.000 0.524 240 P HA -0.031 nan 4.420 nan 0.000 0.264 240 P C 0.355 177.650 177.300 -0.008 0.000 1.193 240 P CA 0.503 63.587 63.100 -0.026 0.000 0.763 240 P CB 0.973 32.651 31.700 -0.036 0.000 0.810 241 D N -1.502 118.901 120.400 0.005 0.000 2.911 241 D HA -0.127 4.513 4.640 -0.001 0.000 0.199 241 D C 0.476 176.805 176.300 0.049 0.000 1.041 241 D CA 0.961 54.979 54.000 0.029 0.000 1.013 241 D CB -1.634 39.182 40.800 0.027 0.000 1.093 241 D HN 0.410 nan 8.370 nan 0.000 0.431 242 V N -1.001 118.922 119.914 0.015 0.000 2.732 242 V HA 0.606 4.726 4.120 -0.001 0.000 0.297 242 V C 0.162 176.332 176.094 0.127 0.000 1.060 242 V CA -0.809 61.510 62.300 0.032 0.000 1.038 242 V CB 1.440 33.171 31.823 -0.154 0.000 1.003 242 V HN 0.022 nan 8.190 nan 0.000 0.481 243 F N 4.241 124.234 119.950 0.071 0.000 2.408 243 F HA 0.682 5.209 4.527 -0.000 0.000 0.344 243 F C 0.097 175.999 175.800 0.170 0.000 1.112 243 F CA -0.725 57.342 58.000 0.113 0.000 1.096 243 F CB 1.162 40.260 39.000 0.163 0.000 1.129 243 F HN 0.620 nan 8.300 nan 0.000 0.486 244 K N 8.116 128.139 120.400 -0.627 0.000 2.376 244 K HA 0.400 4.720 4.320 -0.001 0.000 0.257 244 K C -2.684 173.529 176.600 -0.646 0.000 0.939 244 K CA -1.948 54.079 56.287 -0.434 0.000 0.809 244 K CB 2.025 34.500 32.500 -0.040 0.000 1.121 244 K HN 0.381 nan 8.250 nan 0.000 0.425 245 P HA 0.110 nan 4.420 nan 0.000 0.276 245 P C -1.052 176.227 177.300 -0.036 0.000 1.244 245 P CA -0.361 62.481 63.100 -0.430 0.000 0.801 245 P CB 0.595 31.795 31.700 -0.833 0.000 1.006 246 F N 2.204 122.146 119.950 -0.013 0.000 2.436 246 F HA 0.562 5.089 4.527 -0.001 0.000 0.340 246 F C -0.566 175.144 175.800 -0.149 0.000 1.113 246 F CA -0.799 57.130 58.000 -0.118 0.000 1.022 246 F CB 0.759 39.758 39.000 -0.001 0.000 1.128 246 F HN 0.106 nan 8.300 nan 0.000 0.466 247 I N 4.978 124.913 120.570 -1.058 0.000 2.646 247 I HA 0.454 4.624 4.170 -0.001 0.000 0.299 247 I C -1.180 174.356 176.117 -0.968 0.000 1.036 247 I CA -0.618 60.278 61.300 -0.673 0.000 1.074 247 I CB 2.195 39.882 38.000 -0.522 0.000 1.258 247 I HN 0.671 nan 8.210 nan 0.000 0.430 248 Q N 4.833 124.293 119.800 -0.566 0.000 2.418 248 Q HA 0.660 5.000 4.340 -0.001 0.000 0.282 248 Q C -3.050 172.469 176.000 -0.802 0.000 1.044 248 Q CA -1.911 53.523 55.803 -0.615 0.000 0.813 248 Q CB 2.655 31.126 28.738 -0.446 0.000 1.428 248 Q HN 0.156 nan 8.270 nan 0.000 0.402 252 L N 2.911 124.068 121.223 -0.109 0.000 2.385 252 L HA 0.402 4.742 4.340 -0.001 0.000 0.273 252 L C -0.988 175.843 176.870 -0.063 0.000 0.990 252 L CA -0.294 54.514 54.840 -0.052 0.000 0.821 252 L CB 1.705 43.724 42.059 -0.067 0.000 1.279 252 L HN 0.555 nan 8.230 nan 0.000 0.412 253 D N 5.015 125.402 120.400 -0.021 0.000 2.472 253 D HA 0.233 4.873 4.640 -0.001 0.000 0.234 253 D C -1.156 175.139 176.300 -0.008 0.000 1.088 253 D CA -0.123 53.861 54.000 -0.028 0.000 0.882 253 D CB 0.770 41.555 40.800 -0.024 0.000 1.037 253 D HN 0.583 nan 8.370 nan 0.000 0.520 254 L N 3.145 124.359 121.223 -0.014 0.000 2.278 254 L HA 0.238 4.578 4.340 -0.001 0.000 0.287 254 L C 0.296 177.166 176.870 -0.001 0.000 1.072 254 L CA -0.225 54.612 54.840 -0.004 0.000 0.819 254 L CB 1.095 43.151 42.059 -0.005 0.000 1.176 254 L HN 0.331 nan 8.230 nan 0.000 0.435 255 S N 2.683 118.385 115.700 0.004 0.000 2.576 255 S HA -0.029 4.441 4.470 -0.001 0.000 0.276 255 S C 1.041 175.643 174.600 0.004 0.000 1.339 255 S CA -0.241 57.961 58.200 0.005 0.000 1.039 255 S CB 1.295 64.499 63.200 0.007 0.000 0.902 255 S HN 0.788 nan 8.310 nan 0.000 0.516 256 E N 2.484 122.688 120.200 0.005 0.000 2.110 256 E HA -0.138 4.212 4.350 -0.001 0.000 0.193 256 E C 0.191 176.794 176.600 0.006 0.000 0.988 256 E CA 1.354 57.758 56.400 0.007 0.000 0.804 256 E CB -0.052 29.653 29.700 0.008 0.000 0.745 256 E HN 0.721 nan 8.360 nan 0.000 0.458 257 D N -0.388 120.015 120.400 0.005 0.000 2.339 257 D HA 0.047 4.687 4.640 -0.001 0.000 0.256 257 D C -1.910 174.392 176.300 0.003 0.000 1.214 257 D CA -2.279 51.724 54.000 0.004 0.000 0.877 257 D CB 1.329 42.132 40.800 0.004 0.000 1.111 257 D HN -0.057 nan 8.370 nan 0.000 0.478 258 P HA -0.076 nan 4.420 nan 0.000 0.221 258 P C 0.516 177.814 177.300 -0.003 0.000 1.145 258 P CA 0.767 63.867 63.100 0.000 0.000 0.795 258 P CB 0.283 31.984 31.700 0.001 0.000 0.775 259 N N -0.813 117.885 118.700 -0.002 0.000 2.299 259 N HA -0.017 4.722 4.740 -0.001 0.000 0.187 259 N C 0.524 176.032 175.510 -0.003 0.000 1.099 259 N CA 0.149 53.196 53.050 -0.005 0.000 0.867 259 N CB -0.020 38.464 38.487 -0.004 0.000 0.974 259 N HN 0.331 nan 8.380 nan 0.000 0.477 260 E N 2.200 122.401 120.200 0.001 0.000 2.465 260 E HA -0.075 4.275 4.350 -0.001 0.000 0.260 260 E C 0.357 176.960 176.600 0.005 0.000 0.980 260 E CA -0.405 55.997 56.400 0.004 0.000 0.927 260 E CB 0.687 30.392 29.700 0.008 0.000 0.934 260 E HN 0.207 nan 8.360 nan 0.000 0.459 261 R N 4.718 125.223 120.500 0.008 0.000 2.694 261 R HA 0.209 4.549 4.340 -0.001 0.000 0.268 261 R C -2.182 174.134 176.300 0.027 0.000 1.061 261 R CA -1.216 54.890 56.100 0.010 0.000 1.133 261 R CB 0.096 30.403 30.300 0.011 0.000 1.020 261 R HN 0.254 nan 8.270 nan 0.000 0.475 262 P HA 0.069 nan 4.420 nan 0.000 0.276 262 P C -1.031 176.363 177.300 0.156 0.000 1.264 262 P CA -0.048 63.099 63.100 0.079 0.000 0.769 262 P CB 1.252 32.946 31.700 -0.009 0.000 0.840 263 T N 6.385 121.049 114.554 0.183 0.000 2.815 263 T HA 0.361 4.711 4.350 -0.001 0.000 0.289 263 T C -2.494 172.240 174.700 0.056 0.000 1.000 263 T CA -1.845 60.323 62.100 0.113 0.000 0.958 263 T CB 1.036 69.932 68.868 0.046 0.000 0.944 263 T HN 0.269 nan 8.240 nan 0.000 0.442 264 P HA 0.129 nan 4.420 nan 0.000 0.260 264 P C -0.446 176.709 177.300 -0.243 0.000 1.185 264 P CA 0.032 62.883 63.100 -0.416 0.000 0.763 264 P CB 0.093 31.606 31.700 -0.313 0.000 0.776 265 I N -0.131 120.279 120.570 -0.266 0.000 3.237 265 I HA 0.642 4.811 4.170 -0.001 0.000 0.308 265 I C 0.451 176.445 176.117 -0.204 0.000 1.093 265 I CA -2.365 58.834 61.300 -0.170 0.000 1.001 265 I CB 1.155 39.092 38.000 -0.106 0.000 1.245 265 I HN -0.045 nan 8.210 nan 0.000 0.485 266 R N 2.229 122.627 120.500 -0.171 0.000 2.488 266 R HA 0.159 4.499 4.340 -0.001 0.000 0.317 266 R C 0.086 176.198 176.300 -0.314 0.000 0.941 266 R CA 0.536 56.509 56.100 -0.212 0.000 1.076 266 R CB -0.753 29.440 30.300 -0.178 0.000 0.917 266 R HN 0.805 nan 8.270 nan 0.000 0.407 267 L N 2.699 123.743 121.223 -0.298 0.000 4.232 267 L HA -0.343 3.997 4.340 -0.001 0.000 0.415 267 L C 0.779 177.538 176.870 -0.186 0.000 1.168 267 L CA 0.996 55.650 54.840 -0.310 0.000 0.966 267 L CB -1.995 39.723 42.059 -0.568 0.000 2.052 267 L HN 1.050 nan 8.230 nan 0.000 0.887 268 G N -2.204 106.484 108.800 -0.187 0.000 2.498 268 G HA2 0.432 4.392 3.960 -0.001 0.000 0.181 268 G HA3 0.432 4.392 3.960 -0.001 0.000 0.181 268 G C -1.924 172.801 174.900 -0.292 0.000 1.169 268 G CA -0.377 44.675 45.100 -0.081 0.000 0.992 268 G HN -0.090 nan 8.290 nan 0.000 0.490 269 Y N -0.007 120.286 120.300 -0.012 0.000 2.492 269 Y HA 0.717 5.266 4.550 -0.000 0.000 0.346 269 Y C 0.278 176.166 175.900 -0.022 0.000 0.997 269 Y CA -0.733 57.360 58.100 -0.012 0.000 1.025 269 Y CB 2.339 40.798 38.460 -0.001 0.000 1.263 269 Y HN 0.617 nan 8.280 nan 0.000 0.454 270 R N 1.691 122.262 120.500 0.118 0.000 2.265 270 R HA 0.700 5.039 4.340 -0.001 0.000 0.319 270 R C -0.911 175.445 176.300 0.094 0.000 1.006 270 R CA 0.081 56.224 56.100 0.072 0.000 0.880 270 R CB 1.075 31.393 30.300 0.030 0.000 1.077 270 R HN 0.805 nan 8.270 nan 0.000 0.454 271 T N 1.796 116.386 114.554 0.059 0.000 2.775 271 T HA 0.458 4.808 4.350 -0.001 0.000 0.320 271 T C -0.748 173.960 174.700 0.015 0.000 1.597 271 T CA -0.274 61.849 62.100 0.038 0.000 1.022 271 T CB 1.132 70.016 68.868 0.028 0.000 1.485 271 T HN 0.744 nan 8.240 nan 0.000 0.494 272 G N 0.914 109.717 108.800 0.005 0.000 2.504 272 G HA2 0.470 4.430 3.960 -0.001 0.000 0.288 272 G HA3 0.470 4.430 3.960 -0.001 0.000 0.288 272 G C 0.913 175.810 174.900 -0.006 0.000 1.182 272 G CA -0.264 44.836 45.100 0.000 0.000 0.894 272 G HN 0.998 nan 8.290 nan 0.000 0.521 273 R N -0.060 120.438 120.500 -0.002 0.000 2.120 273 R HA -0.042 4.298 4.340 -0.001 0.000 0.234 273 R C 1.881 178.177 176.300 -0.006 0.000 1.123 273 R CA 1.463 57.563 56.100 0.001 0.000 0.975 273 R CB -0.200 30.106 30.300 0.009 0.000 0.866 273 R HN 0.471 nan 8.270 nan 0.000 0.446 274 K N 0.787 121.178 120.400 -0.015 0.000 2.026 274 K HA -0.033 4.287 4.320 -0.001 0.000 0.208 274 K C 2.335 178.911 176.600 -0.041 0.000 1.048 274 K CA 1.539 57.808 56.287 -0.031 0.000 0.929 274 K CB -0.200 32.282 32.500 -0.029 0.000 0.713 274 K HN 0.320 nan 8.250 nan 0.000 0.439 275 A N 1.247 124.043 122.820 -0.040 0.000 1.968 275 A HA -0.101 4.218 4.320 -0.001 0.000 0.217 275 A C 2.061 179.595 177.584 -0.083 0.000 1.169 275 A CA 0.819 52.820 52.037 -0.060 0.000 0.638 275 A CB -0.434 18.533 19.000 -0.055 0.000 0.812 275 A HN 0.244 nan 8.150 nan 0.000 0.446 276 L N 0.274 121.459 121.223 -0.063 0.000 2.013 276 L HA -0.173 4.166 4.340 -0.001 0.000 0.212 276 L C 2.164 179.005 176.870 -0.048 0.000 1.073 276 L CA 1.932 56.728 54.840 -0.073 0.000 0.753 276 L CB -0.461 41.573 42.059 -0.041 0.000 0.890 276 L HN 0.437 nan 8.230 nan 0.000 0.432 277 I N -0.700 119.878 120.570 0.012 0.000 2.264 277 I HA -0.275 3.895 4.170 -0.001 0.000 0.248 277 I C 2.470 178.644 176.117 0.095 0.000 1.111 277 I CA 1.308 62.680 61.300 0.120 0.000 1.382 277 I CB -0.290 37.721 38.000 0.018 0.000 1.060 277 I HN 0.337 nan 8.210 nan 0.000 0.418 278 E N 1.082 121.275 120.200 -0.012 0.000 2.028 278 E HA -0.188 4.162 4.350 -0.001 0.000 0.191 278 E C 2.189 178.745 176.600 -0.073 0.000 0.988 278 E CA 1.054 57.430 56.400 -0.039 0.000 0.799 278 E CB -0.308 29.349 29.700 -0.070 0.000 0.755 278 E HN 0.317 nan 8.360 nan 0.000 0.447 279 L N 0.225 121.362 121.223 -0.143 0.000 1.990 279 L HA -0.248 4.091 4.340 -0.001 0.000 0.213 279 L C 2.222 179.004 176.870 -0.148 0.000 1.072 279 L CA 1.584 56.275 54.840 -0.248 0.000 0.755 279 L CB -0.385 41.478 42.059 -0.325 0.000 0.889 279 L HN 0.285 nan 8.230 nan 0.000 0.432 280 L N -0.926 120.245 121.223 -0.088 0.000 2.131 280 L HA -0.238 4.102 4.340 -0.001 0.000 0.210 280 L C 2.218 179.087 176.870 -0.003 0.000 1.092 280 L CA 1.068 55.811 54.840 -0.162 0.000 0.759 280 L CB -0.689 40.922 42.059 -0.747 0.000 0.903 280 L HN 0.307 nan 8.230 nan 0.000 0.435 281 D N 0.339 120.838 120.400 0.166 0.000 2.144 281 D HA -0.105 4.535 4.640 -0.001 0.000 0.200 281 D C 2.298 178.650 176.300 0.087 0.000 0.978 281 D CA 1.112 55.245 54.000 0.222 0.000 0.833 281 D CB 0.151 41.051 40.800 0.167 0.000 0.961 281 D HN 0.320 nan 8.370 nan 0.000 0.470 282 I N 0.005 120.565 120.570 -0.017 0.000 2.163 282 I HA -0.300 3.870 4.170 -0.001 0.000 0.240 282 I C 2.225 178.307 176.117 -0.058 0.000 1.081 282 I CA 0.968 62.214 61.300 -0.090 0.000 1.353 282 I CB -0.401 37.470 38.000 -0.215 0.000 1.054 282 I HN 0.022 nan 8.210 nan 0.000 0.407 283 Y N 1.017 121.297 120.300 -0.034 0.000 2.102 283 Y HA -0.375 4.174 4.550 -0.001 0.000 0.280 283 Y C 2.744 178.655 175.900 0.019 0.000 1.178 283 Y CA 1.752 59.837 58.100 -0.024 0.000 1.146 283 Y CB -0.283 38.136 38.460 -0.068 0.000 0.968 283 Y HN 0.111 nan 8.280 nan 0.000 0.504 284 K N 0.429 120.950 120.400 0.201 0.000 2.103 284 K HA -0.217 4.102 4.320 -0.001 0.000 0.207 284 K C 2.186 178.875 176.600 0.149 0.000 1.048 284 K CA 1.817 58.215 56.287 0.184 0.000 0.930 284 K CB -0.236 32.400 32.500 0.228 0.000 0.716 284 K HN 0.386 nan 8.250 nan 0.000 0.444 285 S N 1.050 116.817 115.700 0.110 0.000 2.414 285 S HA -0.114 4.356 4.470 -0.001 0.000 0.227 285 S C 2.049 176.695 174.600 0.077 0.000 1.022 285 S CA 0.867 59.115 58.200 0.080 0.000 0.958 285 S CB -0.697 62.532 63.200 0.048 0.000 0.797 285 S HN 0.561 nan 8.310 nan 0.000 0.493 286 I N -1.748 118.868 120.570 0.076 0.000 3.291 286 I HA 0.460 4.629 4.170 -0.001 0.000 0.279 286 I C 1.464 177.629 176.117 0.079 0.000 1.294 286 I CA 0.559 61.899 61.300 0.066 0.000 1.428 286 I CB -0.455 37.573 38.000 0.047 0.000 1.070 286 I HN 0.434 nan 8.210 nan 0.000 0.478 287 G N 0.973 109.848 108.800 0.125 0.000 2.164 287 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.154 287 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.154 287 G C 0.006 175.047 174.900 0.234 0.000 1.014 287 G CA -0.110 45.096 45.100 0.175 0.000 0.683 287 G HN 0.206 nan 8.290 nan 0.000 0.500 288 V N 0.698 120.748 119.914 0.226 0.000 2.637 288 V HA 0.261 4.381 4.120 -0.001 0.000 0.296 288 V C 1.261 177.528 176.094 0.289 0.000 1.046 288 V CA 1.135 63.623 62.300 0.313 0.000 1.066 288 V CB 1.256 33.207 31.823 0.215 0.000 0.968 288 V HN 0.439 nan 8.190 nan 0.000 0.483 289 N N 1.494 120.397 118.700 0.338 0.000 2.407 289 N HA 0.135 4.875 4.740 -0.001 0.000 0.182 289 N C -0.095 175.607 175.510 0.320 0.000 1.079 289 N CA -0.001 53.274 53.050 0.376 0.000 0.882 289 N CB 0.406 39.227 38.487 0.558 0.000 1.106 289 N HN 0.828 nan 8.380 nan 0.000 0.461 290 H N -0.026 119.121 119.070 0.129 0.000 2.947 290 H HA 0.555 5.111 4.556 -0.001 0.000 0.354 290 H C -1.941 173.366 175.328 -0.036 0.000 1.085 290 H CA -0.843 55.210 56.048 0.009 0.000 1.253 290 H CB 1.129 30.858 29.762 -0.055 0.000 1.757 290 H HN -0.096 nan 8.280 nan 0.000 0.523 291 L N 6.732 127.628 121.223 -0.545 0.000 2.410 291 L HA 0.567 4.907 4.340 -0.001 0.000 0.270 291 L C -1.623 174.957 176.870 -0.484 0.000 0.983 291 L CA -0.955 53.600 54.840 -0.476 0.000 0.822 291 L CB 0.900 42.701 42.059 -0.430 0.000 1.285 291 L HN 0.649 nan 8.230 nan 0.000 0.409 292 F N 3.486 123.111 119.950 -0.543 0.000 2.520 292 F HA 0.706 5.232 4.527 -0.001 0.000 0.322 292 F C -1.503 174.160 175.800 -0.229 0.000 1.103 292 F CA -1.078 56.707 58.000 -0.357 0.000 0.926 292 F CB 1.050 39.861 39.000 -0.315 0.000 1.154 292 F HN 0.158 nan 8.300 nan 0.000 0.453 293 L N 3.977 125.170 121.223 -0.049 0.000 2.275 293 L HA 0.708 5.047 4.340 -0.001 0.000 0.288 293 L C 0.042 176.779 176.870 -0.222 0.000 1.046 293 L CA -0.996 53.746 54.840 -0.165 0.000 0.805 293 L CB 1.601 43.617 42.059 -0.072 0.000 1.193 293 L HN 0.956 nan 8.230 nan 0.000 0.426 294 A N 4.882 127.394 122.820 -0.513 0.000 2.260 294 A HA 0.603 4.922 4.320 -0.001 0.000 0.314 294 A C 0.318 177.334 177.584 -0.947 0.000 1.257 294 A CA -0.462 50.932 52.037 -1.072 0.000 0.871 294 A CB 0.465 18.362 19.000 -1.839 0.000 1.166 294 A HN 0.857 nan 8.150 nan 0.000 0.522 295 L N 2.796 123.567 121.223 -0.755 0.000 2.818 295 L HA 0.161 4.500 4.340 -0.001 0.000 0.243 295 L C 0.785 177.472 176.870 -0.305 0.000 1.185 295 L CA 0.197 54.809 54.840 -0.380 0.000 0.988 295 L CB -0.500 41.463 42.059 -0.160 0.000 1.292 295 L HN 0.900 nan 8.230 nan 0.000 0.519 296 F N 0.362 120.116 119.950 -0.328 0.000 2.171 296 F HA -0.176 4.351 4.527 -0.000 0.000 0.300 296 F C 1.759 177.247 175.800 -0.521 0.000 1.090 296 F CA 0.616 58.267 58.000 -0.582 0.000 1.293 296 F CB -0.080 38.411 39.000 -0.848 0.000 1.013 296 F HN 0.186 nan 8.300 nan 0.000 0.486 297 D N 0.158 120.446 120.400 -0.188 0.000 2.349 297 D HA 0.109 4.749 4.640 -0.001 0.000 0.214 297 D C 1.225 177.430 176.300 -0.159 0.000 1.063 297 D CA 0.253 54.138 54.000 -0.191 0.000 0.847 297 D CB -0.108 40.639 40.800 -0.088 0.000 0.933 297 D HN 0.127 nan 8.370 nan 0.000 0.513 298 G N 0.720 109.438 108.800 -0.135 0.000 2.491 298 G HA2 -0.092 3.868 3.960 -0.001 0.000 0.238 298 G HA3 -0.092 3.868 3.960 -0.001 0.000 0.238 298 G C 0.887 175.740 174.900 -0.078 0.000 1.277 298 G CA -0.219 44.826 45.100 -0.091 0.000 0.851 298 G HN -0.078 nan 8.290 nan 0.000 0.573 299 Q N 0.605 120.375 119.800 -0.050 0.000 2.123 299 Q HA -0.013 4.327 4.340 -0.001 0.000 0.199 299 Q C 1.273 177.262 176.000 -0.019 0.000 0.966 299 Q CA 1.003 56.786 55.803 -0.033 0.000 0.845 299 Q CB 0.099 28.827 28.738 -0.017 0.000 0.907 299 Q HN 0.574 nan 8.270 nan 0.000 0.439 300 R N 0.867 121.359 120.500 -0.014 0.000 2.459 300 R HA 0.295 4.635 4.340 -0.001 0.000 0.281 300 R C -2.277 174.025 176.300 0.004 0.000 1.050 300 R CA -1.894 54.206 56.100 -0.000 0.000 1.055 300 R CB 0.219 30.521 30.300 0.003 0.000 1.045 300 R HN 0.010 nan 8.270 nan 0.000 0.495 301 P HA -0.109 nan 4.420 nan 0.000 0.266 301 P C -0.118 177.202 177.300 0.032 0.000 1.193 301 P CA 0.396 63.514 63.100 0.030 0.000 0.770 301 P CB 0.653 32.375 31.700 0.037 0.000 0.836 302 A N 3.363 126.210 122.820 0.044 0.000 1.972 302 A HA -0.205 4.115 4.320 -0.001 0.000 0.219 302 A C 1.724 179.339 177.584 0.053 0.000 1.169 302 A CA 1.922 53.985 52.037 0.043 0.000 0.635 302 A CB -1.183 17.856 19.000 0.065 0.000 0.810 302 A HN 0.646 nan 8.150 nan 0.000 0.446 303 D N 1.026 121.464 120.400 0.064 0.000 2.097 303 D HA -0.275 4.365 4.640 -0.001 0.000 0.195 303 D C 1.716 178.063 176.300 0.079 0.000 0.989 303 D CA 1.679 55.725 54.000 0.077 0.000 0.827 303 D CB -0.999 39.846 40.800 0.075 0.000 0.966 303 D HN 0.766 nan 8.370 nan 0.000 0.456 304 E N 0.924 121.160 120.200 0.059 0.000 2.150 304 E HA -0.114 4.236 4.350 -0.001 0.000 0.193 304 E C 2.148 178.773 176.600 0.042 0.000 0.985 304 E CA 0.886 57.318 56.400 0.052 0.000 0.814 304 E CB -0.328 29.395 29.700 0.039 0.000 0.752 304 E HN 0.197 nan 8.360 nan 0.000 0.466 305 V N 1.303 121.237 119.914 0.034 0.000 2.358 305 V HA -0.221 3.898 4.120 -0.001 0.000 0.246 305 V C 2.415 178.530 176.094 0.035 0.000 1.047 305 V CA 1.476 63.790 62.300 0.023 0.000 1.035 305 V CB -0.485 31.343 31.823 0.008 0.000 0.658 305 V HN 0.239 nan 8.190 nan 0.000 0.452 306 L N 0.281 121.539 121.223 0.058 0.000 2.046 306 L HA -0.169 4.170 4.340 -0.001 0.000 0.208 306 L C 2.117 179.028 176.870 0.067 0.000 1.077 306 L CA 2.030 56.930 54.840 0.100 0.000 0.747 306 L CB -0.787 41.343 42.059 0.119 0.000 0.896 306 L HN 0.298 nan 8.230 nan 0.000 0.432 307 D N -0.465 119.985 120.400 0.083 0.000 2.084 307 D HA -0.251 4.389 4.640 -0.001 0.000 0.194 307 D C 2.030 178.245 176.300 -0.140 0.000 0.990 307 D CA 1.578 55.590 54.000 0.019 0.000 0.826 307 D CB -0.082 40.788 40.800 0.117 0.000 0.971 307 D HN 0.534 nan 8.370 nan 0.000 0.453 308 E N 0.282 120.450 120.200 -0.054 0.000 2.085 308 E HA -0.164 4.186 4.350 -0.001 0.000 0.194 308 E C 2.365 178.910 176.600 -0.092 0.000 0.994 308 E CA 0.632 56.999 56.400 -0.055 0.000 0.801 308 E CB -0.102 29.589 29.700 -0.014 0.000 0.743 308 E HN 0.209 nan 8.360 nan 0.000 0.453 309 L N -0.165 121.014 121.223 -0.073 0.000 2.046 309 L HA -0.107 4.232 4.340 -0.001 0.000 0.208 309 L C 2.608 179.353 176.870 -0.208 0.000 1.077 309 L CA 1.260 56.069 54.840 -0.052 0.000 0.747 309 L CB -0.528 41.601 42.059 0.115 0.000 0.896 309 L HN 0.281 nan 8.230 nan 0.000 0.432 310 G N -0.704 107.806 108.800 -0.482 0.000 2.394 310 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.215 310 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.215 310 G C 1.462 176.011 174.900 -0.584 0.000 1.165 310 G CA 0.439 44.968 45.100 -0.952 0.000 0.784 310 G HN 0.353 nan 8.290 nan 0.000 0.535 311 E N -0.041 119.897 120.200 -0.438 0.000 2.072 311 E HA -0.029 4.321 4.350 -0.001 0.000 0.190 311 E C 2.333 178.872 176.600 -0.102 0.000 0.982 311 E CA 1.010 57.313 56.400 -0.163 0.000 0.803 311 E CB 0.136 29.787 29.700 -0.082 0.000 0.755 311 E HN 0.296 nan 8.360 nan 0.000 0.453 312 E N -0.573 119.576 120.200 -0.085 0.000 2.413 312 E HA 0.035 4.385 4.350 -0.001 0.000 0.203 312 E C 1.816 178.454 176.600 0.063 0.000 0.957 312 E CA 0.375 56.770 56.400 -0.008 0.000 0.950 312 E CB 0.942 30.648 29.700 0.010 0.000 0.957 312 E HN 0.112 nan 8.360 nan 0.000 0.497 313 V N 0.946 120.876 119.914 0.027 0.000 2.806 313 V HA -0.006 4.114 4.120 -0.001 0.000 0.239 313 V C 2.217 178.383 176.094 0.120 0.000 1.113 313 V CA 0.182 62.567 62.300 0.141 0.000 1.137 313 V CB -0.066 31.812 31.823 0.091 0.000 0.865 313 V HN 0.143 nan 8.190 nan 0.000 0.482 314 L N 0.674 121.853 121.223 -0.074 0.000 2.081 314 L HA -0.124 4.215 4.340 -0.001 0.000 0.212 314 L C 0.009 176.805 176.870 -0.124 0.000 1.080 314 L CA 2.505 57.260 54.840 -0.142 0.000 0.754 314 L CB -2.466 39.406 42.059 -0.313 0.000 0.893 314 L HN 0.339 nan 8.230 nan 0.000 0.433 315 P HA -0.148 nan 4.420 nan 0.000 0.219 315 P C 1.313 178.343 177.300 -0.451 0.000 1.146 315 P CA 1.311 64.221 63.100 -0.317 0.000 0.808 315 P CB -0.120 31.345 31.700 -0.392 0.000 0.779 316 H N -2.785 116.141 119.070 -0.240 0.000 2.548 316 H HA 0.181 4.737 4.556 -0.001 0.000 0.268 316 H C 0.159 174.872 175.328 -1.025 0.000 0.975 316 H CA 0.718 56.415 56.048 -0.584 0.000 1.195 316 H CB -0.068 29.309 29.762 -0.642 0.000 1.397 316 H HN 0.236 nan 8.280 nan 0.000 0.572 317 F N 1.630 121.573 119.950 -0.012 0.000 2.708 317 F HA 0.284 4.811 4.527 -0.000 0.000 0.344 317 F C -2.423 173.325 175.800 -0.087 0.000 1.447 317 F CA -2.060 55.917 58.000 -0.039 0.000 1.140 317 F CB 1.334 40.309 39.000 -0.042 0.000 1.657 317 F HN -0.098 nan 8.300 nan 0.000 0.598 318 P HA 0.256 nan 4.420 nan 0.000 0.276 318 P C -0.050 177.241 177.300 -0.015 0.000 1.244 318 P CA -0.221 62.858 63.100 -0.034 0.000 0.801 318 P CB 1.147 32.812 31.700 -0.058 0.000 1.006 319 A N 2.684 125.487 122.820 -0.028 0.000 2.561 319 A HA 0.137 4.456 4.320 -0.001 0.000 0.234 319 A C 0.661 178.227 177.584 -0.030 0.000 1.055 319 A CA 0.146 52.163 52.037 -0.033 0.000 0.756 319 A CB -0.812 18.171 19.000 -0.028 0.000 0.986 319 A HN 0.503 nan 8.150 nan 0.000 0.505 320 L N 0.000 121.196 121.223 -0.045 0.000 2.949 320 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 320 L CA 0.000 54.826 54.840 -0.023 0.000 0.813 320 L CB 0.000 42.051 42.059 -0.014 0.000 0.961 320 L HN 0.000 nan 8.230 nan 0.000 0.502