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 2zyd_1_A DATA FIRST_RESID 3 DATA SEQUENCE KQQIGVVGMA VMGRNLALNI ESRGYTVSIF NRSREKTEEV IAENPGKKLV DATA SEQUENCE PYYTVKEFVE SLETPRRILL MVKAGAGTDA AIDSLKPYLD KGDIIIDGGN DATA SEQUENCE TFFQDTIRRN RELSAEGFNF IGTGVSGGEE GALKGPSIMP GGQKEAYELV DATA SEQUENCE APILTKIAAV AEDGEPCVTY IGADGAGHYV KMVHNGIEYG DMQLIAEAYS DATA SEQUENCE LLKGGLNLTN EELAQTFTEW NNGELSSYLI DITKDIFTKK DEDGNYLVDV DATA SEQUENCE ILDEAANKGT GKWTSQSALD LGEPLSLITE SVFARYISSL KDQRVAASKV DATA SEQUENCE LSGPQAQPAG DKAEFIEKVR RALYLGKIVS YAQGFSQLRA ASEEYNWDLN DATA SEQUENCE YGEIAKIFRA GCIIRAQFLQ KITDACAENP QIANLLLAPY FKQIADDYQQ DATA SEQUENCE ALRDVVAYAV QNGIPVPTFS AAVAYYDSYR AAVLPANLIQ AQRDYFGAHT DATA SEQUENCE YKRIDKEGVF HTEW 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 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.596 176.600 -0.007 0.000 0.988 3 K CA 0.000 56.278 56.287 -0.014 0.000 0.838 3 K CB 0.000 32.471 32.500 -0.047 0.000 1.064 4 Q N 1.343 121.127 119.800 -0.026 0.000 2.230 4 Q HA 0.246 4.589 4.340 0.005 0.000 0.248 4 Q C 0.376 176.355 176.000 -0.033 0.000 0.915 4 Q CA 0.048 55.848 55.803 -0.006 0.000 0.900 4 Q CB 1.296 30.034 28.738 -0.000 0.000 1.229 4 Q HN 0.421 nan 8.270 nan 0.000 0.439 5 Q N 0.833 120.639 119.800 0.009 0.000 2.378 5 Q HA 0.171 4.514 4.340 0.005 0.000 0.205 5 Q C -0.083 175.871 176.000 -0.076 0.000 0.954 5 Q CA 0.577 56.371 55.803 -0.016 0.000 0.901 5 Q CB 0.428 29.196 28.738 0.048 0.000 0.981 5 Q HN 0.551 nan 8.270 nan 0.000 0.483 6 I N -1.285 119.235 120.570 -0.082 0.000 2.842 6 I HA 0.486 4.659 4.170 0.005 0.000 0.297 6 I C -1.575 174.509 176.117 -0.056 0.000 1.380 6 I CA -0.795 60.448 61.300 -0.095 0.000 1.018 6 I CB 2.112 40.033 38.000 -0.133 0.000 1.311 6 I HN -0.065 nan 8.210 nan 0.000 0.439 7 G N 5.200 113.985 108.800 -0.025 0.000 2.519 7 G HA2 0.666 4.629 3.960 0.005 0.000 0.307 7 G HA3 0.666 4.629 3.960 0.005 0.000 0.307 7 G C -1.856 173.245 174.900 0.336 0.000 1.266 7 G CA -0.532 44.653 45.100 0.141 0.000 0.970 7 G HN 0.418 nan 8.290 nan 0.000 0.481 8 V N 1.126 121.260 119.914 0.367 0.000 2.448 8 V HA 0.488 4.611 4.120 0.005 0.000 0.295 8 V C -0.210 175.936 176.094 0.086 0.000 1.025 8 V CA -0.723 61.696 62.300 0.198 0.000 0.859 8 V CB 1.580 33.467 31.823 0.106 0.000 0.988 8 V HN 0.539 nan 8.190 nan 0.000 0.431 9 V N 3.415 123.331 119.914 0.003 0.000 2.398 9 V HA 0.901 5.024 4.120 0.005 0.000 0.286 9 V C 0.533 176.605 176.094 -0.036 0.000 1.026 9 V CA 0.254 62.492 62.300 -0.103 0.000 0.868 9 V CB 1.102 32.876 31.823 -0.083 0.000 0.982 9 V HN 1.299 nan 8.190 nan 0.000 0.443 10 G N 5.687 114.441 108.800 -0.076 0.000 3.238 10 G HA2 -0.104 3.859 3.960 0.005 0.000 0.684 10 G HA3 -0.104 3.859 3.960 0.005 0.000 0.684 10 G C -0.438 174.426 174.900 -0.059 0.000 1.156 10 G CA -0.710 44.353 45.100 -0.061 0.000 1.048 10 G HN 0.428 nan 8.290 nan 0.000 0.462 11 M N 1.573 121.122 119.600 -0.085 0.000 2.637 11 M HA 0.364 4.847 4.480 0.005 0.000 0.286 11 M C 1.450 177.725 176.300 -0.040 0.000 1.246 11 M CA 0.178 55.442 55.300 -0.061 0.000 0.978 11 M CB -0.155 32.395 32.600 -0.083 0.000 1.417 11 M HN 0.951 nan 8.290 nan 0.000 0.487 12 A N 0.410 123.211 122.820 -0.032 0.000 2.281 12 A HA 0.290 4.613 4.320 0.005 0.000 0.271 12 A C 1.623 179.201 177.584 -0.010 0.000 1.196 12 A CA -0.196 51.830 52.037 -0.019 0.000 0.807 12 A CB 0.180 19.173 19.000 -0.012 0.000 1.138 12 A HN 0.196 nan 8.150 nan 0.000 0.506 13 V N -0.274 119.637 119.914 -0.004 0.000 2.332 13 V HA -0.275 3.848 4.120 0.005 0.000 0.248 13 V C 2.520 178.616 176.094 0.004 0.000 1.055 13 V CA 2.163 64.463 62.300 -0.000 0.000 1.038 13 V CB -0.927 30.897 31.823 0.002 0.000 0.651 13 V HN 0.756 nan 8.190 nan 0.000 0.450 14 M N 0.582 120.186 119.600 0.006 0.000 2.086 14 M HA -0.080 4.403 4.480 0.005 0.000 0.261 14 M C 2.362 178.669 176.300 0.010 0.000 1.067 14 M CA 2.181 57.487 55.300 0.010 0.000 1.116 14 M CB -1.885 30.724 32.600 0.015 0.000 1.348 14 M HN 0.456 nan 8.290 nan 0.000 0.407 15 G N 1.076 109.881 108.800 0.009 0.000 2.433 15 G HA2 -0.251 3.712 3.960 0.005 0.000 0.216 15 G HA3 -0.251 3.712 3.960 0.005 0.000 0.216 15 G C 1.569 176.475 174.900 0.010 0.000 1.186 15 G CA 1.188 46.294 45.100 0.010 0.000 0.779 15 G HN 0.590 nan 8.290 nan 0.000 0.543 16 R N 0.227 120.729 120.500 0.004 0.000 2.105 16 R HA -0.018 4.325 4.340 0.005 0.000 0.239 16 R C 2.107 178.415 176.300 0.013 0.000 1.135 16 R CA 1.646 57.751 56.100 0.008 0.000 0.967 16 R CB -0.636 29.665 30.300 0.002 0.000 0.861 16 R HN 0.199 nan 8.270 nan 0.000 0.442 17 N N 0.824 119.531 118.700 0.011 0.000 2.188 17 N HA -0.028 4.715 4.740 0.005 0.000 0.184 17 N C 1.788 177.307 175.510 0.014 0.000 1.018 17 N CA 1.029 54.086 53.050 0.012 0.000 0.858 17 N CB -0.144 38.348 38.487 0.009 0.000 0.989 17 N HN 0.182 nan 8.380 nan 0.000 0.426 18 L N 0.177 121.408 121.223 0.013 0.000 2.046 18 L HA -0.115 4.228 4.340 0.005 0.000 0.208 18 L C 2.284 179.164 176.870 0.015 0.000 1.077 18 L CA 1.145 55.991 54.840 0.011 0.000 0.747 18 L CB -0.503 41.561 42.059 0.009 0.000 0.896 18 L HN 0.147 nan 8.230 nan 0.000 0.432 19 A N 0.200 123.034 122.820 0.024 0.000 1.883 19 A HA -0.207 4.116 4.320 0.005 0.000 0.217 19 A C 2.210 179.818 177.584 0.039 0.000 1.186 19 A CA 1.606 53.664 52.037 0.035 0.000 0.624 19 A CB -0.799 18.228 19.000 0.045 0.000 0.822 19 A HN 0.380 nan 8.150 nan 0.000 0.444 20 L N -0.266 120.977 121.223 0.033 0.000 2.083 20 L HA -0.200 4.143 4.340 0.005 0.000 0.209 20 L C 2.588 179.482 176.870 0.040 0.000 1.083 20 L CA 1.351 56.213 54.840 0.036 0.000 0.752 20 L CB -0.674 41.401 42.059 0.027 0.000 0.899 20 L HN 0.488 nan 8.230 nan 0.000 0.433 21 N N 1.162 119.881 118.700 0.033 0.000 2.058 21 N HA -0.180 4.563 4.740 0.005 0.000 0.191 21 N C 1.840 177.382 175.510 0.054 0.000 1.037 21 N CA 1.645 54.716 53.050 0.035 0.000 0.848 21 N CB -0.122 38.378 38.487 0.022 0.000 1.021 21 N HN 0.258 nan 8.380 nan 0.000 0.422 22 I N 1.009 121.604 120.570 0.042 0.000 2.179 22 I HA -0.211 3.962 4.170 0.005 0.000 0.242 22 I C 2.495 178.708 176.117 0.160 0.000 1.088 22 I CA 1.123 62.455 61.300 0.052 0.000 1.357 22 I CB -0.395 37.584 38.000 -0.035 0.000 1.051 22 I HN 0.250 nan 8.210 nan 0.000 0.409 23 E N 1.146 121.416 120.200 0.117 0.000 2.085 23 E HA -0.267 4.086 4.350 0.005 0.000 0.194 23 E C 2.231 178.897 176.600 0.109 0.000 0.994 23 E CA 1.917 58.392 56.400 0.127 0.000 0.801 23 E CB -0.138 29.612 29.700 0.083 0.000 0.743 23 E HN 0.478 nan 8.360 nan 0.000 0.453 24 S N 0.084 115.835 115.700 0.085 0.000 2.465 24 S HA -0.092 4.381 4.470 0.005 0.000 0.241 24 S C 1.597 176.238 174.600 0.069 0.000 1.000 24 S CA 0.517 58.755 58.200 0.063 0.000 0.964 24 S CB -0.148 63.082 63.200 0.049 0.000 0.763 24 S HN 0.149 nan 8.310 nan 0.000 0.512 25 R N 0.451 121.025 120.500 0.124 0.000 2.300 25 R HA 0.299 4.642 4.340 0.005 0.000 0.199 25 R C 1.669 177.965 176.300 -0.007 0.000 0.920 25 R CA 0.689 56.858 56.100 0.115 0.000 1.046 25 R CB -0.482 29.966 30.300 0.247 0.000 0.984 25 R HN 0.644 nan 8.270 nan 0.000 0.493 26 G N -0.161 108.630 108.800 -0.015 0.000 2.205 26 G HA2 -0.210 3.753 3.960 0.005 0.000 0.180 26 G HA3 -0.210 3.753 3.960 0.005 0.000 0.180 26 G C -0.427 174.347 174.900 -0.210 0.000 1.004 26 G CA -0.592 44.413 45.100 -0.158 0.000 0.670 26 G HN 0.210 nan 8.290 nan 0.000 0.496 27 Y N 1.162 121.465 120.300 0.004 0.000 2.419 27 Y HA 0.673 5.226 4.550 0.005 0.000 0.328 27 Y C 0.934 176.842 175.900 0.013 0.000 1.162 27 Y CA -0.387 57.716 58.100 0.005 0.000 1.174 27 Y CB 1.486 39.948 38.460 0.002 0.000 1.228 27 Y HN -0.001 nan 8.280 nan 0.000 0.473 28 T N 2.454 117.120 114.554 0.187 0.000 2.799 28 T HA 0.546 4.899 4.350 0.005 0.000 0.286 28 T C -0.785 173.990 174.700 0.126 0.000 0.973 28 T CA -0.604 61.569 62.100 0.121 0.000 1.035 28 T CB 0.733 69.653 68.868 0.087 0.000 0.932 28 T HN 0.321 nan 8.240 nan 0.000 0.469 29 V N 3.008 122.990 119.914 0.113 0.000 2.531 29 V HA 0.366 4.489 4.120 0.005 0.000 0.301 29 V C 0.122 176.311 176.094 0.158 0.000 1.034 29 V CA -0.893 61.472 62.300 0.110 0.000 0.865 29 V CB 2.079 33.960 31.823 0.096 0.000 0.995 29 V HN 0.956 nan 8.190 nan 0.000 0.424 30 S N 6.080 121.887 115.700 0.178 0.000 2.528 30 S HA 0.629 5.102 4.470 0.005 0.000 0.277 30 S C -0.128 174.767 174.600 0.492 0.000 1.297 30 S CA -0.285 58.122 58.200 0.344 0.000 1.052 30 S CB 0.370 63.601 63.200 0.052 0.000 0.917 30 S HN 0.679 nan 8.310 nan 0.000 0.492 31 I N 0.406 121.269 120.570 0.490 0.000 2.785 31 I HA 0.889 5.062 4.170 0.005 0.000 0.302 31 I C -1.146 175.128 176.117 0.262 0.000 1.069 31 I CA -1.067 60.426 61.300 0.322 0.000 1.045 31 I CB 1.996 40.065 38.000 0.116 0.000 1.236 31 I HN 0.566 nan 8.210 nan 0.000 0.429 32 F N 3.834 123.638 119.950 -0.242 0.000 2.668 32 F HA 0.665 5.195 4.527 0.005 0.000 0.309 32 F C -1.657 173.945 175.800 -0.330 0.000 1.117 32 F CA -0.425 57.337 58.000 -0.396 0.000 0.951 32 F CB 2.225 40.717 39.000 -0.847 0.000 1.323 32 F HN 0.805 nan 8.300 nan 0.000 0.451 33 N N 1.953 119.836 118.700 -1.363 0.000 2.405 33 N HA 0.326 5.069 4.740 0.005 0.000 0.274 33 N C -0.085 174.769 175.510 -1.093 0.000 1.170 33 N CA -0.665 51.852 53.050 -0.888 0.000 0.848 33 N CB 2.118 40.344 38.487 -0.435 0.000 1.629 33 N HN 0.702 nan 8.380 nan 0.000 0.481 34 R N 0.572 120.748 120.500 -0.539 0.000 2.096 34 R HA -0.004 4.339 4.340 0.005 0.000 0.235 34 R C -0.010 176.164 176.300 -0.210 0.000 1.127 34 R CA 1.103 57.035 56.100 -0.280 0.000 0.968 34 R CB -0.173 30.079 30.300 -0.081 0.000 0.861 34 R HN 0.445 nan 8.270 nan 0.000 0.440 35 S N 0.226 115.809 115.700 -0.195 0.000 2.410 35 S HA 0.137 4.610 4.470 0.005 0.000 0.304 35 S C 0.837 175.374 174.600 -0.104 0.000 1.095 35 S CA -0.689 57.446 58.200 -0.108 0.000 1.089 35 S CB 1.288 64.444 63.200 -0.073 0.000 0.968 35 S HN 0.338 nan 8.310 nan 0.000 0.480 36 R N 2.958 123.440 120.500 -0.029 0.000 2.133 36 R HA -0.182 4.161 4.340 0.005 0.000 0.247 36 R C 1.195 177.552 176.300 0.096 0.000 1.151 36 R CA 2.248 58.408 56.100 0.100 0.000 0.971 36 R CB -0.180 30.195 30.300 0.125 0.000 0.866 36 R HN 0.693 nan 8.270 nan 0.000 0.447 37 E N 0.596 120.811 120.200 0.025 0.000 2.023 37 E HA -0.193 4.160 4.350 0.005 0.000 0.196 37 E C 1.930 178.538 176.600 0.012 0.000 1.003 37 E CA 1.459 57.869 56.400 0.017 0.000 0.809 37 E CB -0.103 29.595 29.700 -0.003 0.000 0.755 37 E HN 0.165 nan 8.360 nan 0.000 0.449 38 K N 0.198 120.587 120.400 -0.019 0.000 2.113 38 K HA -0.103 4.220 4.320 0.005 0.000 0.208 38 K C 2.251 178.835 176.600 -0.027 0.000 1.047 38 K CA 1.592 57.861 56.287 -0.030 0.000 0.928 38 K CB -0.939 31.528 32.500 -0.055 0.000 0.716 38 K HN 0.218 nan 8.250 nan 0.000 0.446 39 T N 1.624 116.154 114.554 -0.041 0.000 2.746 39 T HA -0.123 4.231 4.350 0.005 0.000 0.267 39 T C 1.811 176.540 174.700 0.049 0.000 1.039 39 T CA 1.440 63.508 62.100 -0.053 0.000 1.142 39 T CB -0.107 68.650 68.868 -0.185 0.000 0.866 39 T HN 0.397 nan 8.240 nan 0.000 0.444 40 E N 0.831 121.110 120.200 0.131 0.000 2.077 40 E HA -0.159 4.194 4.350 0.005 0.000 0.193 40 E C 2.308 178.941 176.600 0.054 0.000 0.989 40 E CA 1.026 57.501 56.400 0.124 0.000 0.800 40 E CB -0.119 29.636 29.700 0.091 0.000 0.746 40 E HN 0.595 nan 8.360 nan 0.000 0.452 41 E N 0.820 121.039 120.200 0.031 0.000 2.118 41 E HA -0.189 4.164 4.350 0.005 0.000 0.195 41 E C 2.072 178.680 176.600 0.013 0.000 0.992 41 E CA 1.188 57.597 56.400 0.015 0.000 0.804 41 E CB 0.165 29.868 29.700 0.005 0.000 0.741 41 E HN 0.050 nan 8.360 nan 0.000 0.458 42 V N 1.594 121.514 119.914 0.011 0.000 2.261 42 V HA -0.275 3.848 4.120 0.005 0.000 0.246 42 V C 2.453 178.557 176.094 0.016 0.000 1.047 42 V CA 1.389 63.694 62.300 0.008 0.000 1.015 42 V CB -0.468 31.355 31.823 0.000 0.000 0.642 42 V HN 0.381 nan 8.190 nan 0.000 0.446 43 I N 0.800 121.384 120.570 0.024 0.000 2.194 43 I HA -0.290 3.883 4.170 0.005 0.000 0.246 43 I C 2.719 178.849 176.117 0.022 0.000 1.093 43 I CA 2.165 63.482 61.300 0.028 0.000 1.355 43 I CB -1.663 36.364 38.000 0.044 0.000 1.046 43 I HN 0.340 nan 8.210 nan 0.000 0.413 44 A N 0.607 123.439 122.820 0.020 0.000 1.877 44 A HA -0.210 4.113 4.320 0.005 0.000 0.216 44 A C 2.219 179.810 177.584 0.011 0.000 1.186 44 A CA 1.593 53.638 52.037 0.014 0.000 0.620 44 A CB -0.708 18.299 19.000 0.011 0.000 0.822 44 A HN 0.503 nan 8.150 nan 0.000 0.443 45 E N 0.073 120.280 120.200 0.011 0.000 2.209 45 E HA -0.109 4.244 4.350 0.005 0.000 0.196 45 E C -0.233 176.373 176.600 0.011 0.000 0.993 45 E CA 0.791 57.196 56.400 0.009 0.000 0.819 45 E CB -0.122 29.583 29.700 0.008 0.000 0.745 45 E HN 0.531 nan 8.360 nan 0.000 0.477 46 N N 1.476 120.184 118.700 0.013 0.000 2.804 46 N HA 0.227 4.970 4.740 0.005 0.000 0.251 46 N C -2.749 172.770 175.510 0.015 0.000 1.250 46 N CA -1.040 52.019 53.050 0.015 0.000 0.820 46 N CB 1.643 40.141 38.487 0.018 0.000 1.156 46 N HN -0.047 nan 8.380 nan 0.000 0.512 47 P HA 0.241 nan 4.420 nan 0.000 0.279 47 P C 1.005 178.312 177.300 0.012 0.000 1.239 47 P CA 0.364 63.471 63.100 0.012 0.000 0.789 47 P CB 1.076 32.782 31.700 0.009 0.000 0.933 48 G N 1.347 110.154 108.800 0.012 0.000 2.253 48 G HA2 -0.200 3.763 3.960 0.005 0.000 0.251 48 G HA3 -0.200 3.763 3.960 0.005 0.000 0.251 48 G C 0.075 174.985 174.900 0.016 0.000 0.998 48 G CA -0.242 44.866 45.100 0.012 0.000 0.621 48 G HN 0.486 nan 8.290 nan 0.000 0.524 49 K N 1.628 122.040 120.400 0.020 0.000 2.322 49 K HA 0.270 4.593 4.320 0.005 0.000 0.283 49 K C 0.678 177.296 176.600 0.031 0.000 1.042 49 K CA -0.384 55.919 56.287 0.026 0.000 0.958 49 K CB 0.938 33.455 32.500 0.029 0.000 0.984 49 K HN 0.515 nan 8.250 nan 0.000 0.473 50 K N 4.163 124.585 120.400 0.037 0.000 2.054 50 K HA 0.122 4.445 4.320 0.005 0.000 0.242 50 K C -0.253 176.381 176.600 0.057 0.000 1.157 50 K CA 0.174 56.487 56.287 0.043 0.000 1.079 50 K CB -0.545 31.982 32.500 0.046 0.000 1.331 50 K HN 0.421 nan 8.250 nan 0.000 0.317 51 L N 2.865 124.117 121.223 0.048 0.000 2.345 51 L HA 0.252 4.595 4.340 0.005 0.000 0.274 51 L C -0.549 176.347 176.870 0.043 0.000 0.999 51 L CA -1.121 53.754 54.840 0.058 0.000 0.849 51 L CB 1.867 43.954 42.059 0.047 0.000 1.220 51 L HN 0.124 nan 8.230 nan 0.000 0.422 52 V N 5.098 125.054 119.914 0.069 0.000 2.368 52 V HA 0.254 4.377 4.120 0.005 0.000 0.266 52 V C -1.844 174.201 176.094 -0.081 0.000 1.045 52 V CA -1.450 60.845 62.300 -0.008 0.000 0.899 52 V CB 0.758 32.620 31.823 0.065 0.000 1.006 52 V HN 0.529 nan 8.190 nan 0.000 0.470 53 P HA 0.348 nan 4.420 nan 0.000 0.280 53 P C -1.510 175.451 177.300 -0.565 0.000 1.244 53 P CA -0.220 62.720 63.100 -0.267 0.000 0.784 53 P CB 0.826 32.439 31.700 -0.145 0.000 0.913 54 Y N 1.252 121.441 120.300 -0.185 0.000 2.512 54 Y HA 0.337 4.890 4.550 0.005 0.000 0.348 54 Y C 0.447 176.216 175.900 -0.220 0.000 0.990 54 Y CA -0.382 57.712 58.100 -0.010 0.000 1.033 54 Y CB 2.042 40.629 38.460 0.212 0.000 1.259 54 Y HN 0.279 nan 8.280 nan 0.000 0.461 55 Y N -0.072 120.446 120.300 0.363 0.000 2.612 55 Y HA 0.305 4.858 4.550 0.005 0.000 0.250 55 Y C 0.587 176.731 175.900 0.407 0.000 1.175 55 Y CA -0.310 57.972 58.100 0.302 0.000 1.205 55 Y CB 1.282 39.816 38.460 0.125 0.000 1.201 55 Y HN 0.483 nan 8.280 nan 0.000 0.532 56 T N -1.027 113.816 114.554 0.482 0.000 2.933 56 T HA 0.248 4.601 4.350 0.005 0.000 0.305 56 T C 0.600 175.219 174.700 -0.135 0.000 1.092 56 T CA -0.388 61.862 62.100 0.251 0.000 1.008 56 T CB 1.655 70.600 68.868 0.127 0.000 1.102 56 T HN -0.088 nan 8.240 nan 0.000 0.469 57 V N 4.847 124.518 119.914 -0.405 0.000 2.407 57 V HA -0.020 4.103 4.120 0.005 0.000 0.248 57 V C 2.427 178.241 176.094 -0.467 0.000 1.055 57 V CA 2.633 64.529 62.300 -0.673 0.000 1.049 57 V CB -0.538 31.070 31.823 -0.359 0.000 0.662 57 V HN 0.941 nan 8.190 nan 0.000 0.455 58 K N -0.385 119.636 120.400 -0.631 0.000 2.009 58 K HA -0.248 4.075 4.320 0.005 0.000 0.210 58 K C 2.166 178.476 176.600 -0.483 0.000 1.049 58 K CA 2.313 58.007 56.287 -0.988 0.000 0.929 58 K CB -0.263 31.695 32.500 -0.904 0.000 0.714 58 K HN 0.617 nan 8.250 nan 0.000 0.440 59 E N -0.523 119.524 120.200 -0.255 0.000 2.153 59 E HA -0.185 4.168 4.350 0.005 0.000 0.194 59 E C 1.763 178.139 176.600 -0.375 0.000 0.988 59 E CA 0.950 57.264 56.400 -0.143 0.000 0.811 59 E CB -0.130 29.656 29.700 0.142 0.000 0.746 59 E HN 0.289 nan 8.360 nan 0.000 0.466 60 F N 0.878 120.542 119.950 -0.478 0.000 2.069 60 F HA -0.242 4.288 4.527 0.005 0.000 0.298 60 F C 2.023 177.494 175.800 -0.548 0.000 1.113 60 F CA 1.254 58.877 58.000 -0.629 0.000 1.214 60 F CB -0.476 38.217 39.000 -0.512 0.000 0.978 60 F HN -0.194 nan 8.300 nan 0.000 0.474 61 V N 1.073 120.697 119.914 -0.483 0.000 2.343 61 V HA -0.275 3.848 4.120 0.005 0.000 0.247 61 V C 2.229 178.084 176.094 -0.398 0.000 1.051 61 V CA 2.280 64.322 62.300 -0.429 0.000 1.036 61 V CB -0.826 30.898 31.823 -0.164 0.000 0.654 61 V HN 0.380 nan 8.190 nan 0.000 0.451 62 E N 0.865 120.856 120.200 -0.347 0.000 2.338 62 E HA -0.153 4.200 4.350 0.005 0.000 0.197 62 E C 2.220 178.646 176.600 -0.291 0.000 1.007 62 E CA 1.374 57.622 56.400 -0.253 0.000 0.849 62 E CB -0.272 29.317 29.700 -0.185 0.000 0.774 62 E HN 0.748 nan 8.360 nan 0.000 0.506 63 S N 0.445 115.855 115.700 -0.482 0.000 2.555 63 S HA -0.008 4.465 4.470 0.005 0.000 0.230 63 S C 0.906 175.299 174.600 -0.346 0.000 0.978 63 S CA 0.051 57.974 58.200 -0.463 0.000 0.934 63 S CB -0.257 62.376 63.200 -0.946 0.000 0.766 63 S HN 0.058 nan 8.310 nan 0.000 0.533 64 L N 1.995 123.000 121.223 -0.363 0.000 2.309 64 L HA 0.458 4.801 4.340 0.005 0.000 0.282 64 L C -0.009 176.763 176.870 -0.162 0.000 1.036 64 L CA -0.754 53.922 54.840 -0.273 0.000 0.806 64 L CB 1.308 43.157 42.059 -0.350 0.000 1.220 64 L HN 0.187 nan 8.230 nan 0.000 0.429 65 E N 1.579 121.712 120.200 -0.113 0.000 2.376 65 E HA 0.121 4.474 4.350 0.005 0.000 0.266 65 E C -0.130 176.430 176.600 -0.066 0.000 1.009 65 E CA -0.286 56.071 56.400 -0.071 0.000 0.902 65 E CB 0.598 30.271 29.700 -0.045 0.000 0.972 65 E HN 0.570 nan 8.360 nan 0.000 0.439 66 T N 0.759 115.284 114.554 -0.049 0.000 2.913 66 T HA 0.301 4.654 4.350 0.005 0.000 0.297 66 T C -2.192 172.493 174.700 -0.025 0.000 1.029 66 T CA -1.804 60.275 62.100 -0.034 0.000 1.104 66 T CB 0.609 69.466 68.868 -0.019 0.000 0.964 66 T HN 0.129 nan 8.240 nan 0.000 0.532 67 P HA 0.277 nan 4.420 nan 0.000 0.276 67 P C 0.002 177.284 177.300 -0.031 0.000 1.243 67 P CA -0.520 62.574 63.100 -0.011 0.000 0.768 67 P CB 0.422 32.121 31.700 -0.001 0.000 0.856 68 R N 3.084 123.561 120.500 -0.039 0.000 2.570 68 R HA 0.200 4.543 4.340 0.005 0.000 0.277 68 R C 0.146 176.412 176.300 -0.057 0.000 1.039 68 R CA 0.147 56.203 56.100 -0.072 0.000 1.065 68 R CB 0.357 30.600 30.300 -0.094 0.000 0.964 68 R HN 0.407 nan 8.270 nan 0.000 0.428 69 R N 2.803 123.258 120.500 -0.075 0.000 2.371 69 R HA 0.326 4.669 4.340 0.005 0.000 0.312 69 R C -0.875 175.400 176.300 -0.041 0.000 0.980 69 R CA -0.330 55.737 56.100 -0.056 0.000 0.867 69 R CB 1.031 31.285 30.300 -0.076 0.000 1.163 69 R HN 0.442 nan 8.270 nan 0.000 0.492 70 I N 4.028 124.600 120.570 0.004 0.000 2.382 70 I HA 0.194 4.367 4.170 0.005 0.000 0.285 70 I C -0.807 175.357 176.117 0.079 0.000 1.007 70 I CA -0.766 60.584 61.300 0.085 0.000 1.142 70 I CB 1.524 39.607 38.000 0.138 0.000 1.289 70 I HN 0.332 nan 8.210 nan 0.000 0.453 71 L N 8.050 129.322 121.223 0.082 0.000 2.283 71 L HA 0.420 4.763 4.340 0.005 0.000 0.287 71 L C -0.818 176.094 176.870 0.071 0.000 1.073 71 L CA -0.202 54.666 54.840 0.047 0.000 0.822 71 L CB 0.725 42.800 42.059 0.027 0.000 1.186 71 L HN 0.504 nan 8.230 nan 0.000 0.436 72 L N 7.121 128.381 121.223 0.062 0.000 2.255 72 L HA 0.442 4.785 4.340 0.005 0.000 0.289 72 L C -0.242 176.668 176.870 0.065 0.000 1.046 72 L CA 0.235 55.120 54.840 0.075 0.000 0.816 72 L CB 0.913 43.039 42.059 0.111 0.000 1.197 72 L HN 0.640 nan 8.230 nan 0.000 0.427 73 M N 5.588 125.218 119.600 0.050 0.000 2.959 73 M HA 0.273 4.756 4.480 0.005 0.000 0.337 73 M C -0.251 176.071 176.300 0.036 0.000 1.220 73 M CA -0.132 55.194 55.300 0.043 0.000 0.893 73 M CB 0.186 32.804 32.600 0.030 0.000 1.322 73 M HN 0.234 nan 8.290 nan 0.000 0.519 74 V N 1.358 121.299 119.914 0.047 0.000 3.385 74 V HA 0.193 4.316 4.120 0.005 0.000 0.301 74 V C 0.680 176.802 176.094 0.046 0.000 1.082 74 V CA -0.526 61.796 62.300 0.038 0.000 1.085 74 V CB 1.206 33.058 31.823 0.048 0.000 1.152 74 V HN 0.350 nan 8.190 nan 0.000 0.465 75 K N 2.420 122.843 120.400 0.039 0.000 2.339 75 K HA 0.442 4.765 4.320 0.005 0.000 0.286 75 K C -0.005 176.631 176.600 0.060 0.000 1.050 75 K CA 0.240 56.554 56.287 0.045 0.000 0.956 75 K CB 0.345 32.865 32.500 0.033 0.000 0.990 75 K HN 0.813 nan 8.250 nan 0.000 0.475 76 A N 3.461 126.325 122.820 0.073 0.000 2.584 76 A HA 0.419 4.743 4.320 0.005 0.000 0.239 76 A C 0.882 178.520 177.584 0.090 0.000 1.043 76 A CA 1.124 53.215 52.037 0.090 0.000 0.756 76 A CB -0.635 18.433 19.000 0.112 0.000 0.963 76 A HN 0.996 nan 8.150 nan 0.000 0.511 77 G N 0.282 109.132 108.800 0.084 0.000 2.419 77 G HA2 0.485 4.448 3.960 0.005 0.000 0.061 77 G HA3 0.485 4.448 3.960 0.005 0.000 0.061 77 G C 0.542 175.475 174.900 0.055 0.000 0.907 77 G CA 0.512 45.655 45.100 0.071 0.000 1.174 77 G HN 1.719 nan 8.290 nan 0.000 0.468 78 A N -0.042 122.804 122.820 0.044 0.000 2.358 78 A HA 0.588 4.911 4.320 0.005 0.000 0.223 78 A C 2.079 179.685 177.584 0.036 0.000 1.218 78 A CA 1.720 53.778 52.037 0.034 0.000 0.942 78 A CB 0.157 19.173 19.000 0.026 0.000 1.005 78 A HN 1.728 nan 8.150 nan 0.000 0.514 79 G N -0.758 108.067 108.800 0.041 0.000 2.744 79 G HA2 0.063 4.026 3.960 0.005 0.000 0.211 79 G HA3 0.063 4.026 3.960 0.005 0.000 0.211 79 G C 1.173 176.106 174.900 0.055 0.000 1.143 79 G CA 1.564 46.690 45.100 0.043 0.000 0.788 79 G HN 0.357 nan 8.290 nan 0.000 0.534 80 T N 0.452 115.043 114.554 0.062 0.000 2.852 80 T HA -0.018 4.335 4.350 0.005 0.000 0.256 80 T C 1.850 176.589 174.700 0.065 0.000 1.038 80 T CA 0.863 63.013 62.100 0.084 0.000 1.141 80 T CB -0.086 68.847 68.868 0.109 0.000 0.869 80 T HN 0.154 nan 8.240 nan 0.000 0.439 81 D N 1.411 121.834 120.400 0.039 0.000 2.264 81 D HA 0.067 4.710 4.640 0.005 0.000 0.208 81 D C 2.132 178.444 176.300 0.019 0.000 0.966 81 D CA 0.646 54.653 54.000 0.013 0.000 0.864 81 D CB 0.003 40.802 40.800 -0.001 0.000 0.933 81 D HN 0.380 nan 8.370 nan 0.000 0.499 82 A N 1.145 123.985 122.820 0.032 0.000 1.898 82 A HA 0.112 4.435 4.320 0.005 0.000 0.214 82 A C 2.334 179.946 177.584 0.047 0.000 1.183 82 A CA 1.439 53.498 52.037 0.036 0.000 0.622 82 A CB -0.435 18.589 19.000 0.040 0.000 0.824 82 A HN 0.200 nan 8.150 nan 0.000 0.444 83 A N 0.016 122.871 122.820 0.058 0.000 1.933 83 A HA -0.057 4.266 4.320 0.005 0.000 0.218 83 A C 2.089 179.705 177.584 0.054 0.000 1.175 83 A CA 1.516 53.596 52.037 0.071 0.000 0.628 83 A CB -0.589 18.460 19.000 0.082 0.000 0.814 83 A HN 0.483 nan 8.150 nan 0.000 0.444 84 I N -0.442 120.156 120.570 0.047 0.000 2.252 84 I HA -0.196 3.977 4.170 0.005 0.000 0.245 84 I C 1.858 177.970 176.117 -0.008 0.000 1.102 84 I CA 1.282 62.594 61.300 0.021 0.000 1.385 84 I CB -0.387 37.616 38.000 0.004 0.000 1.064 84 I HN 0.189 nan 8.210 nan 0.000 0.414 85 D N 0.502 120.903 120.400 0.001 0.000 2.149 85 D HA -0.163 4.480 4.640 0.005 0.000 0.198 85 D C 2.385 178.678 176.300 -0.012 0.000 0.990 85 D CA 1.805 55.802 54.000 -0.006 0.000 0.839 85 D CB -0.055 40.748 40.800 0.004 0.000 0.948 85 D HN 0.353 nan 8.370 nan 0.000 0.460 86 S N -0.740 114.967 115.700 0.012 0.000 2.436 86 S HA 0.010 4.483 4.470 0.005 0.000 0.228 86 S C 2.147 176.766 174.600 0.031 0.000 1.014 86 S CA 0.218 58.437 58.200 0.031 0.000 0.950 86 S CB -0.297 62.947 63.200 0.072 0.000 0.784 86 S HN 0.213 nan 8.310 nan 0.000 0.504 87 L N 0.872 122.097 121.223 0.003 0.000 2.095 87 L HA 0.077 4.420 4.340 0.005 0.000 0.204 87 L C 2.656 179.452 176.870 -0.122 0.000 1.080 87 L CA 0.985 55.824 54.840 -0.002 0.000 0.759 87 L CB -0.450 41.594 42.059 -0.025 0.000 0.914 87 L HN 0.228 nan 8.230 nan 0.000 0.439 88 K N 0.289 120.580 120.400 -0.182 0.000 2.097 88 K HA -0.219 4.104 4.320 0.005 0.000 0.214 88 K C -0.492 175.987 176.600 -0.203 0.000 1.052 88 K CA 2.078 58.223 56.287 -0.236 0.000 0.932 88 K CB -1.453 31.013 32.500 -0.056 0.000 0.716 88 K HN 0.342 nan 8.250 nan 0.000 0.455 89 P HA -0.174 nan 4.420 nan 0.000 0.221 89 P C 0.561 177.563 177.300 -0.497 0.000 1.145 89 P CA 1.519 64.362 63.100 -0.428 0.000 0.795 89 P CB 0.014 31.336 31.700 -0.630 0.000 0.775 90 Y N -0.910 119.358 120.300 -0.054 0.000 2.458 90 Y HA 0.268 4.821 4.550 0.005 0.000 0.256 90 Y C 1.565 177.416 175.900 -0.082 0.000 1.159 90 Y CA -0.466 57.597 58.100 -0.062 0.000 1.261 90 Y CB -0.467 37.943 38.460 -0.083 0.000 1.119 90 Y HN -0.164 nan 8.280 nan 0.000 0.524 91 L N 0.726 121.915 121.223 -0.056 0.000 2.399 91 L HA 0.293 4.636 4.340 0.005 0.000 0.266 91 L C -0.245 176.689 176.870 0.108 0.000 1.114 91 L CA -0.533 54.238 54.840 -0.114 0.000 0.804 91 L CB 0.759 42.463 42.059 -0.591 0.000 1.146 91 L HN -0.004 nan 8.230 nan 0.000 0.451 92 D N 1.100 121.591 120.400 0.153 0.000 2.198 92 D HA 0.160 4.803 4.640 0.005 0.000 0.247 92 D C -0.280 176.225 176.300 0.342 0.000 1.010 92 D CA -0.622 53.512 54.000 0.223 0.000 0.880 92 D CB 1.843 42.707 40.800 0.106 0.000 1.209 92 D HN 0.292 nan 8.370 nan 0.000 0.451 93 K N 0.246 120.787 120.400 0.235 0.000 2.504 93 K HA 0.086 4.409 4.320 0.005 0.000 0.278 93 K C 0.931 177.613 176.600 0.137 0.000 1.025 93 K CA 1.120 57.474 56.287 0.113 0.000 1.093 93 K CB 0.008 32.502 32.500 -0.010 0.000 0.873 93 K HN 0.694 nan 8.250 nan 0.000 0.483 94 G N 3.180 112.079 108.800 0.164 0.000 2.232 94 G HA2 -0.204 3.759 3.960 0.005 0.000 0.226 94 G HA3 -0.204 3.759 3.960 0.005 0.000 0.226 94 G C -0.201 174.783 174.900 0.139 0.000 0.996 94 G CA 0.080 45.253 45.100 0.120 0.000 0.626 94 G HN 0.710 nan 8.290 nan 0.000 0.509 95 D N 0.406 120.921 120.400 0.193 0.000 2.378 95 D HA 0.492 5.135 4.640 0.005 0.000 0.238 95 D C 0.814 177.184 176.300 0.116 0.000 1.180 95 D CA 0.497 54.558 54.000 0.102 0.000 0.895 95 D CB 0.700 41.517 40.800 0.028 0.000 1.192 95 D HN 0.392 nan 8.370 nan 0.000 0.438 96 I N 1.640 122.245 120.570 0.057 0.000 2.447 96 I HA 0.305 4.478 4.170 0.005 0.000 0.287 96 I C -0.175 175.973 176.117 0.053 0.000 1.023 96 I CA -0.585 60.757 61.300 0.070 0.000 1.083 96 I CB 1.450 39.468 38.000 0.030 0.000 1.245 96 I HN 0.046 nan 8.210 nan 0.000 0.434 97 I N 6.816 127.454 120.570 0.113 0.000 2.353 97 I HA 0.420 4.594 4.170 0.005 0.000 0.293 97 I C -0.374 175.709 176.117 -0.057 0.000 0.992 97 I CA -0.488 60.882 61.300 0.116 0.000 1.268 97 I CB 1.533 39.714 38.000 0.302 0.000 1.387 97 I HN 0.403 nan 8.210 nan 0.000 0.478 98 I N 5.115 125.631 120.570 -0.091 0.000 2.411 98 I HA 0.171 4.344 4.170 0.005 0.000 0.284 98 I C -0.719 175.299 176.117 -0.165 0.000 1.012 98 I CA -0.502 60.675 61.300 -0.206 0.000 1.119 98 I CB 1.503 39.439 38.000 -0.106 0.000 1.261 98 I HN 0.477 nan 8.210 nan 0.000 0.448 99 D N 5.207 125.431 120.400 -0.293 0.000 2.380 99 D HA 0.255 4.898 4.640 0.005 0.000 0.230 99 D C 0.972 177.309 176.300 0.062 0.000 1.154 99 D CA -0.272 53.714 54.000 -0.023 0.000 0.859 99 D CB 1.545 42.426 40.800 0.136 0.000 1.045 99 D HN 0.659 nan 8.370 nan 0.000 0.495 100 G N 2.750 111.596 108.800 0.076 0.000 3.284 100 G HA2 0.297 4.260 3.960 0.005 0.000 0.236 100 G HA3 0.297 4.260 3.960 0.005 0.000 0.236 100 G C 0.770 175.761 174.900 0.152 0.000 1.158 100 G CA -0.125 45.032 45.100 0.096 0.000 0.774 100 G HN 0.560 nan 8.290 nan 0.000 0.545 101 G N -0.136 108.766 108.800 0.171 0.000 2.651 101 G HA2 0.233 4.196 3.960 0.005 0.000 0.260 101 G HA3 0.233 4.196 3.960 0.005 0.000 0.260 101 G C -0.065 174.901 174.900 0.110 0.000 1.216 101 G CA -0.792 44.379 45.100 0.118 0.000 0.913 101 G HN 0.320 nan 8.290 nan 0.000 0.535 102 N N 0.303 119.055 118.700 0.086 0.000 3.298 102 N HA 0.172 4.915 4.740 0.005 0.000 0.292 102 N C -0.269 175.329 175.510 0.147 0.000 1.271 102 N CA -0.140 52.979 53.050 0.114 0.000 1.184 102 N CB 0.432 38.978 38.487 0.098 0.000 1.452 102 N HN 0.260 nan 8.380 nan 0.000 0.534 103 T N 1.114 115.563 114.554 -0.175 0.000 2.897 103 T HA 0.085 4.438 4.350 0.005 0.000 0.294 103 T C 0.039 174.666 174.700 -0.122 0.000 1.004 103 T CA -0.329 61.659 62.100 -0.187 0.000 1.106 103 T CB 0.588 69.163 68.868 -0.488 0.000 0.949 103 T HN 0.153 nan 8.240 nan 0.000 0.520 104 F N 4.705 124.449 119.950 -0.344 0.000 2.538 104 F HA 0.198 4.728 4.527 0.005 0.000 0.371 104 F C 1.079 176.680 175.800 -0.332 0.000 1.087 104 F CA -1.847 55.706 58.000 -0.744 0.000 1.250 104 F CB 0.024 38.388 39.000 -1.061 0.000 1.110 104 F HN 0.649 nan 8.300 nan 0.000 0.570 105 F N 2.459 121.866 119.950 -0.905 0.000 2.269 105 F HA -0.153 4.377 4.527 0.006 0.000 0.301 105 F C 1.709 177.228 175.800 -0.467 0.000 1.082 105 F CA 1.071 58.784 58.000 -0.478 0.000 1.360 105 F CB -0.772 38.063 39.000 -0.274 0.000 1.041 105 F HN 0.480 nan 8.300 nan 0.000 0.512 106 Q N 0.947 119.713 119.800 -1.724 0.000 2.167 106 Q HA -0.140 4.204 4.340 0.005 0.000 0.202 106 Q C 1.567 177.328 176.000 -0.398 0.000 0.970 106 Q CA 1.452 56.638 55.803 -1.028 0.000 0.855 106 Q CB -0.499 27.711 28.738 -0.880 0.000 0.911 106 Q HN 0.546 nan 8.270 nan 0.000 0.438 107 D N -0.098 120.134 120.400 -0.280 0.000 2.144 107 D HA -0.075 4.568 4.640 0.005 0.000 0.200 107 D C 1.693 177.976 176.300 -0.028 0.000 0.978 107 D CA 1.124 55.069 54.000 -0.092 0.000 0.833 107 D CB -0.052 40.733 40.800 -0.025 0.000 0.961 107 D HN 0.170 nan 8.370 nan 0.000 0.470 108 T N 1.061 115.638 114.554 0.039 0.000 2.821 108 T HA -0.018 4.335 4.350 0.005 0.000 0.267 108 T C 2.211 177.021 174.700 0.182 0.000 1.046 108 T CA 0.354 62.613 62.100 0.265 0.000 1.139 108 T CB -0.044 69.074 68.868 0.417 0.000 0.871 108 T HN 0.144 nan 8.240 nan 0.000 0.454 109 I N 0.642 121.255 120.570 0.073 0.000 2.226 109 I HA -0.164 4.009 4.170 0.005 0.000 0.245 109 I C 2.913 179.046 176.117 0.028 0.000 1.100 109 I CA 1.131 62.478 61.300 0.079 0.000 1.374 109 I CB -0.314 37.704 38.000 0.029 0.000 1.057 109 I HN 0.106 nan 8.210 nan 0.000 0.413 110 R N 1.374 121.855 120.500 -0.031 0.000 2.070 110 R HA -0.156 4.187 4.340 0.005 0.000 0.233 110 R C 2.433 178.684 176.300 -0.081 0.000 1.137 110 R CA 1.632 57.703 56.100 -0.049 0.000 0.945 110 R CB -0.191 30.071 30.300 -0.063 0.000 0.845 110 R HN 0.298 nan 8.270 nan 0.000 0.430 111 R N 0.404 120.814 120.500 -0.149 0.000 2.081 111 R HA -0.100 4.243 4.340 0.005 0.000 0.235 111 R C 2.299 178.396 176.300 -0.339 0.000 1.131 111 R CA 1.529 57.411 56.100 -0.364 0.000 0.960 111 R CB -0.539 29.319 30.300 -0.736 0.000 0.856 111 R HN 0.389 nan 8.270 nan 0.000 0.436 112 N N 1.384 120.028 118.700 -0.094 0.000 2.120 112 N HA -0.214 4.529 4.740 0.005 0.000 0.188 112 N C 1.812 177.359 175.510 0.061 0.000 1.024 112 N CA 1.310 54.429 53.050 0.115 0.000 0.852 112 N CB 0.009 38.666 38.487 0.283 0.000 1.003 112 N HN 0.195 nan 8.380 nan 0.000 0.424 113 R N 0.706 121.225 120.500 0.032 0.000 2.073 113 R HA -0.080 4.263 4.340 0.005 0.000 0.234 113 R C 1.941 178.239 176.300 -0.003 0.000 1.134 113 R CA 1.578 57.691 56.100 0.023 0.000 0.952 113 R CB -0.044 30.265 30.300 0.015 0.000 0.850 113 R HN 0.346 nan 8.270 nan 0.000 0.433 114 E N 0.388 120.569 120.200 -0.031 0.000 2.047 114 E HA -0.181 4.172 4.350 0.005 0.000 0.191 114 E C 2.133 178.724 176.600 -0.015 0.000 0.987 114 E CA 1.350 57.730 56.400 -0.033 0.000 0.799 114 E CB -0.083 29.585 29.700 -0.053 0.000 0.752 114 E HN 0.343 nan 8.360 nan 0.000 0.449 115 L N 0.601 121.821 121.223 -0.005 0.000 2.056 115 L HA -0.172 4.171 4.340 0.005 0.000 0.207 115 L C 2.691 179.595 176.870 0.056 0.000 1.078 115 L CA 0.835 55.731 54.840 0.094 0.000 0.749 115 L CB -0.387 41.746 42.059 0.124 0.000 0.901 115 L HN 0.134 nan 8.230 nan 0.000 0.433 116 S N -0.104 115.622 115.700 0.043 0.000 2.370 116 S HA -0.205 4.268 4.470 0.005 0.000 0.226 116 S C 2.093 176.663 174.600 -0.052 0.000 1.033 116 S CA 1.288 59.498 58.200 0.017 0.000 1.011 116 S CB -0.118 63.108 63.200 0.042 0.000 0.852 116 S HN 0.448 nan 8.310 nan 0.000 0.457 117 A N 0.470 123.260 122.820 -0.050 0.000 2.070 117 A HA -0.016 4.307 4.320 0.005 0.000 0.220 117 A C 1.749 179.254 177.584 -0.132 0.000 1.159 117 A CA 1.399 53.394 52.037 -0.070 0.000 0.656 117 A CB -0.376 18.597 19.000 -0.046 0.000 0.800 117 A HN 0.730 nan 8.150 nan 0.000 0.453 118 E N -1.692 118.386 120.200 -0.202 0.000 2.476 118 E HA 0.325 4.678 4.350 0.005 0.000 0.196 118 E C 0.899 177.042 176.600 -0.760 0.000 1.029 118 E CA 0.202 56.369 56.400 -0.387 0.000 0.896 118 E CB 0.159 29.677 29.700 -0.303 0.000 1.012 118 E HN 0.658 nan 8.360 nan 0.000 0.475 119 G N 1.195 109.698 108.800 -0.494 0.000 2.137 119 G HA2 -0.282 3.681 3.960 0.005 0.000 0.237 119 G HA3 -0.282 3.681 3.960 0.005 0.000 0.237 119 G C -0.134 174.539 174.900 -0.378 0.000 1.002 119 G CA -0.139 44.702 45.100 -0.431 0.000 0.702 119 G HN 0.250 nan 8.290 nan 0.000 0.515 120 F N 0.270 120.239 119.950 0.031 0.000 2.492 120 F HA 0.546 5.075 4.527 0.005 0.000 0.327 120 F C 0.575 176.426 175.800 0.085 0.000 1.079 120 F CA -1.429 56.602 58.000 0.052 0.000 0.967 120 F CB 1.362 40.394 39.000 0.054 0.000 1.169 120 F HN -0.132 nan 8.300 nan 0.000 0.472 121 N N 1.404 120.285 118.700 0.303 0.000 2.508 121 N HA 0.392 5.135 4.740 0.005 0.000 0.285 121 N C -1.634 174.068 175.510 0.321 0.000 1.144 121 N CA -0.231 52.961 53.050 0.237 0.000 0.978 121 N CB 2.029 40.610 38.487 0.156 0.000 1.180 121 N HN 0.475 nan 8.380 nan 0.000 0.484 122 F N 1.575 121.586 119.950 0.101 0.000 2.607 122 F HA 0.494 5.024 4.527 0.005 0.000 0.322 122 F C -1.287 174.557 175.800 0.074 0.000 1.176 122 F CA -0.705 57.348 58.000 0.088 0.000 0.977 122 F CB 0.859 39.915 39.000 0.094 0.000 1.242 122 F HN 0.289 nan 8.300 nan 0.000 0.465 123 I N 5.390 125.689 120.570 -0.451 0.000 2.355 123 I HA 0.437 4.610 4.170 0.005 0.000 0.288 123 I C 0.416 176.158 176.117 -0.626 0.000 0.999 123 I CA -0.781 60.312 61.300 -0.346 0.000 1.163 123 I CB 1.577 39.484 38.000 -0.155 0.000 1.316 123 I HN 0.777 nan 8.210 nan 0.000 0.454 124 G N 3.466 111.961 108.800 -0.508 0.000 2.325 124 G HA2 0.472 4.435 3.960 0.005 0.000 0.298 124 G HA3 0.472 4.435 3.960 0.005 0.000 0.298 124 G C -0.568 173.817 174.900 -0.858 0.000 1.134 124 G CA -0.137 44.606 45.100 -0.595 0.000 0.876 124 G HN 0.453 nan 8.290 nan 0.000 0.452 125 T N 0.896 114.991 114.554 -0.764 0.000 2.886 125 T HA 0.658 5.011 4.350 0.005 0.000 0.292 125 T C 0.528 175.089 174.700 -0.230 0.000 1.012 125 T CA -0.061 61.763 62.100 -0.461 0.000 0.982 125 T CB 1.218 69.968 68.868 -0.197 0.000 1.018 125 T HN 0.731 nan 8.240 nan 0.000 0.451 126 G N 1.917 110.641 108.800 -0.126 0.000 2.444 126 G HA2 0.571 4.534 3.960 0.005 0.000 0.268 126 G HA3 0.571 4.534 3.960 0.005 0.000 0.268 126 G C -1.016 173.887 174.900 0.005 0.000 1.203 126 G CA -0.343 44.787 45.100 0.049 0.000 0.835 126 G HN 0.756 nan 8.290 nan 0.000 0.543 127 V N 0.908 120.833 119.914 0.017 0.000 2.488 127 V HA 0.517 4.640 4.120 0.005 0.000 0.293 127 V C -0.088 175.981 176.094 -0.041 0.000 1.027 127 V CA -0.744 61.550 62.300 -0.010 0.000 0.862 127 V CB 1.391 33.218 31.823 0.007 0.000 1.008 127 V HN 0.812 nan 8.190 nan 0.000 0.428 128 S N 2.990 118.635 115.700 -0.091 0.000 2.503 128 S HA 0.839 5.312 4.470 0.005 0.000 0.301 128 S C 0.653 175.185 174.600 -0.112 0.000 1.087 128 S CA 0.561 58.663 58.200 -0.163 0.000 1.042 128 S CB 1.674 64.606 63.200 -0.447 0.000 1.043 128 S HN 1.480 nan 8.310 nan 0.000 0.489 129 G N 1.799 110.548 108.800 -0.085 0.000 3.272 129 G HA2 0.364 4.327 3.960 0.005 0.000 0.219 129 G HA3 0.364 4.327 3.960 0.005 0.000 0.219 129 G C 0.856 175.723 174.900 -0.055 0.000 0.952 129 G CA 0.285 45.335 45.100 -0.083 0.000 0.833 129 G HN 1.932 nan 8.290 nan 0.000 0.608 130 G N 0.039 108.827 108.800 -0.021 0.000 2.756 130 G HA2 -0.013 3.950 3.960 0.005 0.000 0.678 130 G HA3 -0.013 3.950 3.960 0.005 0.000 0.678 130 G C 0.433 175.332 174.900 -0.002 0.000 1.349 130 G CA 0.492 45.593 45.100 0.001 0.000 0.847 130 G HN 0.560 nan 8.290 nan 0.000 0.548 131 E N 0.086 120.290 120.200 0.007 0.000 2.130 131 E HA -0.164 4.189 4.350 0.005 0.000 0.196 131 E C 2.210 178.812 176.600 0.003 0.000 0.998 131 E CA 1.622 58.026 56.400 0.006 0.000 0.806 131 E CB -0.026 29.679 29.700 0.008 0.000 0.738 131 E HN 0.581 nan 8.360 nan 0.000 0.459 132 E N -0.048 120.154 120.200 0.003 0.000 2.107 132 E HA -0.091 4.262 4.350 0.005 0.000 0.191 132 E C 2.265 178.859 176.600 -0.011 0.000 0.982 132 E CA 0.965 57.366 56.400 0.001 0.000 0.809 132 E CB -0.328 29.377 29.700 0.008 0.000 0.756 132 E HN 0.349 nan 8.360 nan 0.000 0.459 133 G N 1.644 110.429 108.800 -0.025 0.000 2.402 133 G HA2 -0.194 3.769 3.960 0.005 0.000 0.216 133 G HA3 -0.194 3.769 3.960 0.005 0.000 0.216 133 G C 1.792 176.680 174.900 -0.020 0.000 1.162 133 G CA 1.153 46.231 45.100 -0.038 0.000 0.777 133 G HN 0.370 nan 8.290 nan 0.000 0.539 134 A N 0.321 123.133 122.820 -0.012 0.000 1.940 134 A HA -0.010 4.313 4.320 0.005 0.000 0.219 134 A C 2.339 179.924 177.584 0.001 0.000 1.176 134 A CA 1.729 53.763 52.037 -0.004 0.000 0.631 134 A CB -0.388 18.612 19.000 0.001 0.000 0.814 134 A HN 0.406 nan 8.150 nan 0.000 0.446 135 L N -1.207 120.018 121.223 0.003 0.000 2.109 135 L HA -0.010 4.333 4.340 0.005 0.000 0.207 135 L C 1.939 178.815 176.870 0.010 0.000 1.086 135 L CA 1.832 56.678 54.840 0.009 0.000 0.760 135 L CB -0.174 41.891 42.059 0.009 0.000 0.910 135 L HN 0.168 nan 8.230 nan 0.000 0.437 136 K N -0.852 119.551 120.400 0.005 0.000 2.335 136 K HA 0.448 4.772 4.320 0.005 0.000 0.195 136 K C 0.457 177.061 176.600 0.006 0.000 1.058 136 K CA 0.811 57.102 56.287 0.007 0.000 0.988 136 K CB 0.615 33.117 32.500 0.003 0.000 0.880 136 K HN 0.253 nan 8.250 nan 0.000 0.513 137 G N 3.611 112.411 108.800 -0.000 0.000 2.225 137 G HA2 0.040 4.003 3.960 0.005 0.000 0.184 137 G HA3 0.040 4.003 3.960 0.005 0.000 0.184 137 G C -3.289 171.605 174.900 -0.009 0.000 2.549 137 G CA -0.746 44.355 45.100 0.002 0.000 0.925 137 G HN -0.204 nan 8.290 nan 0.000 0.550 138 P HA 0.627 nan 4.420 nan 0.000 0.284 138 P C -0.041 177.258 177.300 -0.002 0.000 1.287 138 P CA -0.462 62.628 63.100 -0.017 0.000 0.824 138 P CB 2.006 33.694 31.700 -0.019 0.000 1.180 139 S N -0.162 115.535 115.700 -0.004 0.000 2.480 139 S HA 0.548 5.021 4.470 0.005 0.000 0.286 139 S C -0.320 174.287 174.600 0.012 0.000 1.180 139 S CA -0.727 57.492 58.200 0.032 0.000 1.075 139 S CB -0.734 62.516 63.200 0.084 0.000 0.996 139 S HN 0.226 nan 8.310 nan 0.000 0.487 140 I N 4.873 125.452 120.570 0.015 0.000 2.436 140 I HA 0.371 4.544 4.170 0.005 0.000 0.289 140 I C -0.604 175.497 176.117 -0.027 0.000 1.010 140 I CA -0.480 60.819 61.300 -0.002 0.000 1.098 140 I CB 1.940 39.948 38.000 0.014 0.000 1.266 140 I HN 0.587 nan 8.210 nan 0.000 0.434 141 M N 8.303 127.866 119.600 -0.061 0.000 2.066 141 M HA 0.346 4.829 4.480 0.005 0.000 0.264 141 M C -2.774 173.399 176.300 -0.210 0.000 0.886 141 M CA -1.490 53.732 55.300 -0.130 0.000 0.810 141 M CB 1.105 33.661 32.600 -0.073 0.000 1.451 141 M HN 0.142 nan 8.290 nan 0.000 0.373 142 P HA 0.509 nan 4.420 nan 0.000 0.294 142 P C -0.482 176.598 177.300 -0.366 0.000 1.294 142 P CA -0.052 62.902 63.100 -0.243 0.000 0.827 142 P CB 1.985 33.660 31.700 -0.041 0.000 0.992 143 G N 0.770 109.357 108.800 -0.355 0.000 2.519 143 G HA2 0.769 4.732 3.960 0.005 0.000 0.307 143 G HA3 0.769 4.732 3.960 0.005 0.000 0.307 143 G C -0.506 174.310 174.900 -0.140 0.000 1.266 143 G CA -0.711 44.162 45.100 -0.378 0.000 0.970 143 G HN 0.778 nan 8.290 nan 0.000 0.481 144 G N -0.304 108.509 108.800 0.022 0.000 2.334 144 G HA2 0.308 4.271 3.960 0.005 0.000 0.249 144 G HA3 0.308 4.271 3.960 0.005 0.000 0.249 144 G C -1.212 173.833 174.900 0.242 0.000 1.327 144 G CA -0.903 44.274 45.100 0.128 0.000 0.979 144 G HN 0.765 nan 8.290 nan 0.000 0.471 145 Q N 0.583 120.493 119.800 0.185 0.000 2.289 145 Q HA 0.418 4.761 4.340 0.005 0.000 0.273 145 Q C 1.450 177.492 176.000 0.071 0.000 1.029 145 Q CA 0.346 56.231 55.803 0.136 0.000 0.896 145 Q CB 1.585 30.380 28.738 0.095 0.000 1.182 145 Q HN 0.629 nan 8.270 nan 0.000 0.385 146 K N 2.419 122.754 120.400 -0.108 0.000 2.097 146 K HA -0.240 4.083 4.320 0.005 0.000 0.206 146 K C 0.752 177.222 176.600 -0.216 0.000 1.049 146 K CA 1.540 57.495 56.287 -0.552 0.000 0.933 146 K CB 0.326 32.375 32.500 -0.751 0.000 0.717 146 K HN 0.572 nan 8.250 nan 0.000 0.442 147 E N 0.231 120.367 120.200 -0.107 0.000 2.110 147 E HA -0.166 4.188 4.350 0.005 0.000 0.193 147 E C 1.778 178.353 176.600 -0.041 0.000 0.988 147 E CA 1.369 57.730 56.400 -0.064 0.000 0.804 147 E CB -0.182 29.498 29.700 -0.035 0.000 0.745 147 E HN 0.432 nan 8.360 nan 0.000 0.458 148 A N 0.133 122.950 122.820 -0.004 0.000 1.897 148 A HA -0.178 4.145 4.320 0.005 0.000 0.215 148 A C 2.111 179.691 177.584 -0.007 0.000 1.181 148 A CA 1.341 53.383 52.037 0.008 0.000 0.620 148 A CB -0.818 18.212 19.000 0.050 0.000 0.821 148 A HN 0.414 nan 8.150 nan 0.000 0.443 149 Y N 1.104 121.363 120.300 -0.068 0.000 2.128 149 Y HA -0.214 4.339 4.550 0.005 0.000 0.284 149 Y C 2.134 177.989 175.900 -0.075 0.000 1.154 149 Y CA 2.287 60.355 58.100 -0.054 0.000 1.149 149 Y CB -0.335 38.115 38.460 -0.016 0.000 0.976 149 Y HN 0.469 nan 8.280 nan 0.000 0.505 150 E N -0.238 119.823 120.200 -0.231 0.000 2.204 150 E HA -0.190 4.163 4.350 0.005 0.000 0.194 150 E C 2.017 178.466 176.600 -0.251 0.000 0.989 150 E CA 1.038 57.270 56.400 -0.280 0.000 0.824 150 E CB -0.262 29.372 29.700 -0.110 0.000 0.756 150 E HN 0.461 nan 8.360 nan 0.000 0.477 151 L N 0.317 121.430 121.223 -0.183 0.000 2.056 151 L HA -0.081 4.262 4.340 0.005 0.000 0.207 151 L C 2.114 178.885 176.870 -0.166 0.000 1.078 151 L CA 1.238 55.998 54.840 -0.134 0.000 0.749 151 L CB -0.015 41.993 42.059 -0.085 0.000 0.901 151 L HN -0.018 nan 8.230 nan 0.000 0.433 152 V N -0.641 119.139 119.914 -0.223 0.000 3.649 152 V HA 0.179 4.302 4.120 0.005 0.000 0.275 152 V C 2.304 178.220 176.094 -0.297 0.000 1.281 152 V CA 0.847 63.015 62.300 -0.219 0.000 1.143 152 V CB -0.030 31.691 31.823 -0.170 0.000 0.892 152 V HN 0.500 nan 8.190 nan 0.000 0.441 153 A N 1.153 123.693 122.820 -0.466 0.000 2.024 153 A HA -0.061 4.262 4.320 0.005 0.000 0.220 153 A C 0.212 177.667 177.584 -0.215 0.000 1.164 153 A CA 1.932 53.672 52.037 -0.494 0.000 0.643 153 A CB -1.540 17.049 19.000 -0.684 0.000 0.806 153 A HN 0.600 nan 8.150 nan 0.000 0.451 154 P HA -0.082 nan 4.420 nan 0.000 0.219 154 P C 1.329 178.619 177.300 -0.016 0.000 1.150 154 P CA 0.758 63.830 63.100 -0.046 0.000 0.814 154 P CB -0.043 31.653 31.700 -0.007 0.000 0.787 155 I N -1.468 119.041 120.570 -0.101 0.000 2.233 155 I HA -0.167 4.006 4.170 0.005 0.000 0.243 155 I C 2.210 178.257 176.117 -0.116 0.000 1.093 155 I CA 1.151 62.336 61.300 -0.191 0.000 1.380 155 I CB -0.618 37.157 38.000 -0.375 0.000 1.067 155 I HN -0.116 nan 8.210 nan 0.000 0.413 156 L N 0.587 121.744 121.223 -0.110 0.000 2.083 156 L HA -0.196 4.147 4.340 0.005 0.000 0.209 156 L C 2.816 179.683 176.870 -0.005 0.000 1.083 156 L CA 1.988 56.798 54.840 -0.049 0.000 0.752 156 L CB -1.151 40.893 42.059 -0.025 0.000 0.899 156 L HN 0.433 nan 8.230 nan 0.000 0.433 157 T N -3.178 111.374 114.554 -0.003 0.000 2.915 157 T HA -0.168 4.185 4.350 0.005 0.000 0.269 157 T C 1.759 176.479 174.700 0.034 0.000 1.071 157 T CA 0.898 63.013 62.100 0.025 0.000 1.132 157 T CB -0.135 68.747 68.868 0.023 0.000 0.878 157 T HN 0.296 nan 8.240 nan 0.000 0.479 158 K N 0.788 121.214 120.400 0.044 0.000 2.314 158 K HA 0.277 4.600 4.320 0.005 0.000 0.198 158 K C 2.139 178.775 176.600 0.059 0.000 1.045 158 K CA 0.854 57.182 56.287 0.069 0.000 0.988 158 K CB -0.083 32.498 32.500 0.135 0.000 0.783 158 K HN 0.631 nan 8.250 nan 0.000 0.484 159 I N -2.596 117.996 120.570 0.037 0.000 3.783 159 I HA 0.205 4.378 4.170 0.005 0.000 0.310 159 I C 0.836 176.966 176.117 0.021 0.000 1.274 159 I CA -0.389 60.928 61.300 0.028 0.000 1.294 159 I CB 0.041 38.045 38.000 0.007 0.000 1.051 159 I HN -0.217 nan 8.210 nan 0.000 0.435 160 A N 1.890 124.724 122.820 0.023 0.000 2.346 160 A HA 0.712 5.035 4.320 0.005 0.000 0.252 160 A C 0.688 178.287 177.584 0.024 0.000 1.089 160 A CA 0.108 52.159 52.037 0.023 0.000 0.797 160 A CB 0.102 19.121 19.000 0.031 0.000 1.047 160 A HN 0.489 nan 8.150 nan 0.000 0.494 161 A N -0.214 122.620 122.820 0.022 0.000 2.346 161 A HA 0.534 4.857 4.320 0.005 0.000 0.252 161 A C -0.082 177.521 177.584 0.032 0.000 1.089 161 A CA -0.146 51.904 52.037 0.023 0.000 0.797 161 A CB 0.021 19.032 19.000 0.019 0.000 1.047 161 A HN 1.187 nan 8.150 nan 0.000 0.494 162 V N 0.594 120.527 119.914 0.032 0.000 2.555 162 V HA 0.621 4.744 4.120 0.005 0.000 0.302 162 V C 0.724 176.842 176.094 0.040 0.000 1.038 162 V CA -0.308 62.013 62.300 0.035 0.000 0.887 162 V CB 1.112 32.953 31.823 0.031 0.000 0.991 162 V HN 1.248 nan 8.190 nan 0.000 0.434 163 A N 2.734 125.580 122.820 0.043 0.000 2.259 163 A HA 0.466 4.789 4.320 0.005 0.000 0.278 163 A C 1.226 178.834 177.584 0.040 0.000 1.107 163 A CA -0.267 51.800 52.037 0.048 0.000 0.828 163 A CB 0.185 19.215 19.000 0.051 0.000 1.111 163 A HN 0.871 nan 8.150 nan 0.000 0.498 164 E N 0.769 120.995 120.200 0.042 0.000 2.097 164 E HA -0.225 4.129 4.350 0.005 0.000 0.196 164 E C 0.880 177.496 176.600 0.027 0.000 1.000 164 E CA 1.746 58.167 56.400 0.035 0.000 0.804 164 E CB -0.378 29.342 29.700 0.034 0.000 0.740 164 E HN 0.831 nan 8.360 nan 0.000 0.454 165 D N -0.584 119.830 120.400 0.024 0.000 2.338 165 D HA 0.026 4.669 4.640 0.005 0.000 0.239 165 D C 1.275 177.586 176.300 0.019 0.000 1.095 165 D CA 0.801 54.812 54.000 0.019 0.000 0.888 165 D CB -0.157 40.652 40.800 0.015 0.000 0.899 165 D HN 0.251 nan 8.370 nan 0.000 0.525 166 G N -0.102 108.712 108.800 0.023 0.000 2.205 166 G HA2 -0.315 3.648 3.960 0.005 0.000 0.261 166 G HA3 -0.315 3.648 3.960 0.005 0.000 0.261 166 G C -0.026 174.889 174.900 0.024 0.000 0.980 166 G CA 0.092 45.205 45.100 0.022 0.000 0.632 166 G HN 0.485 nan 8.290 nan 0.000 0.533 167 E N 2.517 122.732 120.200 0.025 0.000 2.290 167 E HA 0.330 4.683 4.350 0.005 0.000 0.277 167 E C -2.114 174.505 176.600 0.032 0.000 1.035 167 E CA -1.591 54.825 56.400 0.027 0.000 0.873 167 E CB 1.065 30.779 29.700 0.024 0.000 1.029 167 E HN 0.243 nan 8.360 nan 0.000 0.419 168 P HA -0.039 nan 4.420 nan 0.000 0.268 168 P C -0.255 177.068 177.300 0.038 0.000 1.205 168 P CA -0.182 62.941 63.100 0.037 0.000 0.771 168 P CB 0.563 32.287 31.700 0.040 0.000 0.858 169 C N 3.820 123.144 119.300 0.040 0.000 3.305 169 C HA 0.329 4.792 4.460 0.005 0.000 0.566 169 C C 0.847 175.857 174.990 0.033 0.000 1.178 169 C CA -0.048 58.994 59.018 0.041 0.000 1.317 169 C CB -1.976 25.801 27.740 0.061 0.000 1.634 169 C HN 0.390 nan 8.230 nan 0.000 0.643 170 V N 0.793 120.727 119.914 0.034 0.000 3.048 170 V HA 0.857 4.980 4.120 0.005 0.000 0.303 170 V C -0.675 175.449 176.094 0.048 0.000 1.214 170 V CA 0.219 62.545 62.300 0.044 0.000 0.984 170 V CB 2.666 34.545 31.823 0.094 0.000 1.054 170 V HN 0.454 nan 8.190 nan 0.000 0.430 171 T N 3.980 118.521 114.554 -0.022 0.000 2.830 171 T HA 0.387 4.740 4.350 0.005 0.000 0.322 171 T C -1.986 172.492 174.700 -0.369 0.000 1.501 171 T CA -0.326 61.728 62.100 -0.077 0.000 1.036 171 T CB 1.255 70.070 68.868 -0.089 0.000 1.379 171 T HN 0.987 nan 8.240 nan 0.000 0.493 172 Y N 5.034 124.901 120.300 -0.723 0.000 2.496 172 Y HA 0.307 4.860 4.550 0.004 0.000 0.334 172 Y C 1.076 176.677 175.900 -0.499 0.000 1.080 172 Y CA -0.661 56.860 58.100 -0.965 0.000 1.355 172 Y CB 0.100 38.105 38.460 -0.760 0.000 1.193 172 Y HN 0.553 nan 8.280 nan 0.000 0.523 173 I N 4.501 124.511 120.570 -0.933 0.000 2.339 173 I HA 0.160 4.333 4.170 0.005 0.000 0.245 173 I C 1.306 176.871 176.117 -0.920 0.000 1.096 173 I CA 1.517 62.361 61.300 -0.761 0.000 1.408 173 I CB -1.146 36.486 38.000 -0.614 0.000 1.092 173 I HN 0.792 nan 8.210 nan 0.000 0.423 174 G N -0.604 107.385 108.800 -1.353 0.000 2.327 174 G HA2 0.477 4.440 3.960 0.005 0.000 0.291 174 G HA3 0.477 4.440 3.960 0.005 0.000 0.291 174 G C -1.290 173.213 174.900 -0.662 0.000 1.290 174 G CA -0.199 44.339 45.100 -0.937 0.000 0.857 174 G HN 0.325 nan 8.290 nan 0.000 0.520 175 A N -0.427 122.298 122.820 -0.158 0.000 2.346 175 A HA 0.631 4.954 4.320 0.005 0.000 0.252 175 A C 1.223 178.825 177.584 0.030 0.000 1.089 175 A CA 1.390 53.476 52.037 0.081 0.000 0.797 175 A CB -0.479 18.671 19.000 0.250 0.000 1.047 175 A HN 2.424 nan 8.150 nan 0.000 0.494 176 D N -0.234 120.246 120.400 0.133 0.000 4.056 176 D HA -0.303 4.340 4.640 0.005 0.000 0.169 176 D C 1.011 177.364 176.300 0.088 0.000 0.744 176 D CA 2.099 56.206 54.000 0.179 0.000 1.006 176 D CB -1.344 39.621 40.800 0.275 0.000 0.448 176 D HN 1.036 nan 8.370 nan 0.000 0.412 177 G N -0.682 108.236 108.800 0.196 0.000 3.181 177 G HA2 0.405 4.368 3.960 0.005 0.000 0.219 177 G HA3 0.405 4.368 3.960 0.005 0.000 0.219 177 G C 1.286 176.009 174.900 -0.295 0.000 1.182 177 G CA 0.764 45.944 45.100 0.133 0.000 0.791 177 G HN 0.793 nan 8.290 nan 0.000 0.537 178 A N 0.797 123.041 122.820 -0.959 0.000 1.933 178 A HA 0.106 4.430 4.320 0.005 0.000 0.218 178 A C 2.584 179.680 177.584 -0.814 0.000 1.175 178 A CA 2.012 53.023 52.037 -1.710 0.000 0.628 178 A CB -0.677 17.226 19.000 -1.830 0.000 0.814 178 A HN 0.439 nan 8.150 nan 0.000 0.444 179 G N -1.572 106.889 108.800 -0.566 0.000 2.404 179 G HA2 -0.227 3.737 3.960 0.005 0.000 0.215 179 G HA3 -0.227 3.737 3.960 0.005 0.000 0.215 179 G C 1.496 176.255 174.900 -0.235 0.000 1.174 179 G CA 1.019 45.875 45.100 -0.406 0.000 0.780 179 G HN 0.628 nan 8.290 nan 0.000 0.537 180 H N -1.333 117.659 119.070 -0.131 0.000 2.491 180 H HA -0.015 4.544 4.556 0.005 0.000 0.290 180 H C 1.992 177.297 175.328 -0.038 0.000 1.050 180 H CA 0.868 56.901 56.048 -0.026 0.000 1.309 180 H CB -0.162 29.624 29.762 0.039 0.000 1.392 180 H HN 0.510 nan 8.280 nan 0.000 0.554 181 Y N 0.733 120.946 120.300 -0.144 0.000 2.200 181 Y HA -0.172 4.382 4.550 0.005 0.000 0.290 181 Y C 2.452 178.258 175.900 -0.156 0.000 1.137 181 Y CA 0.954 58.882 58.100 -0.286 0.000 1.163 181 Y CB -0.177 37.942 38.460 -0.569 0.000 0.988 181 Y HN -0.120 nan 8.280 nan 0.000 0.518 182 V N 0.633 120.543 119.914 -0.007 0.000 2.407 182 V HA -0.274 3.849 4.120 0.005 0.000 0.248 182 V C 2.279 178.445 176.094 0.120 0.000 1.055 182 V CA 2.161 64.490 62.300 0.049 0.000 1.049 182 V CB -0.614 31.184 31.823 -0.042 0.000 0.662 182 V HN 0.258 nan 8.190 nan 0.000 0.455 183 K N 0.577 121.032 120.400 0.093 0.000 2.057 183 K HA -0.174 4.149 4.320 0.005 0.000 0.207 183 K C 2.129 178.799 176.600 0.117 0.000 1.049 183 K CA 1.984 58.351 56.287 0.133 0.000 0.931 183 K CB -0.509 32.081 32.500 0.151 0.000 0.714 183 K HN 0.441 nan 8.250 nan 0.000 0.440 184 M N -0.238 119.395 119.600 0.055 0.000 2.086 184 M HA -0.153 4.330 4.480 0.005 0.000 0.261 184 M C 1.597 177.848 176.300 -0.082 0.000 1.067 184 M CA 1.760 57.076 55.300 0.027 0.000 1.116 184 M CB -0.045 32.556 32.600 0.001 0.000 1.348 184 M HN 0.032 nan 8.290 nan 0.000 0.407 185 V N 0.267 120.094 119.914 -0.145 0.000 2.407 185 V HA -0.292 3.831 4.120 0.005 0.000 0.248 185 V C 2.353 178.367 176.094 -0.134 0.000 1.055 185 V CA 2.388 64.603 62.300 -0.143 0.000 1.049 185 V CB -1.331 30.433 31.823 -0.099 0.000 0.662 185 V HN 0.686 nan 8.190 nan 0.000 0.455 186 H N 0.857 119.842 119.070 -0.142 0.000 2.352 186 H HA -0.163 4.396 4.556 0.005 0.000 0.299 186 H C 2.202 177.399 175.328 -0.219 0.000 1.097 186 H CA 2.239 58.100 56.048 -0.312 0.000 1.311 186 H CB -0.023 29.520 29.762 -0.365 0.000 1.377 186 H HN 0.361 nan 8.280 nan 0.000 0.504 187 N N -0.067 118.600 118.700 -0.054 0.000 2.188 187 N HA -0.078 4.665 4.740 0.005 0.000 0.184 187 N C 2.152 177.523 175.510 -0.233 0.000 1.018 187 N CA 1.188 54.191 53.050 -0.079 0.000 0.858 187 N CB -0.863 37.608 38.487 -0.026 0.000 0.989 187 N HN 0.578 nan 8.380 nan 0.000 0.426 188 G N 1.063 109.695 108.800 -0.280 0.000 2.421 188 G HA2 -0.171 3.792 3.960 0.005 0.000 0.216 188 G HA3 -0.171 3.792 3.960 0.005 0.000 0.216 188 G C 1.602 176.362 174.900 -0.234 0.000 1.171 188 G CA 0.439 45.354 45.100 -0.308 0.000 0.775 188 G HN 0.276 nan 8.290 nan 0.000 0.543 189 I N 0.576 120.963 120.570 -0.306 0.000 2.286 189 I HA -0.168 4.005 4.170 0.005 0.000 0.248 189 I C 2.668 178.630 176.117 -0.258 0.000 1.115 189 I CA 1.472 62.548 61.300 -0.373 0.000 1.392 189 I CB -0.190 37.452 38.000 -0.598 0.000 1.065 189 I HN 0.337 nan 8.210 nan 0.000 0.418 190 E N 0.595 120.631 120.200 -0.274 0.000 2.077 190 E HA -0.263 4.090 4.350 0.005 0.000 0.193 190 E C 2.255 178.885 176.600 0.051 0.000 0.989 190 E CA 1.544 57.873 56.400 -0.119 0.000 0.800 190 E CB -0.103 29.534 29.700 -0.105 0.000 0.746 190 E HN 0.416 nan 8.360 nan 0.000 0.452 191 Y N 0.264 120.477 120.300 -0.145 0.000 2.224 191 Y HA -0.053 4.500 4.550 0.005 0.000 0.289 191 Y C 2.445 178.289 175.900 -0.093 0.000 1.146 191 Y CA 1.349 59.382 58.100 -0.112 0.000 1.182 191 Y CB -0.954 37.425 38.460 -0.135 0.000 0.983 191 Y HN 0.185 nan 8.280 nan 0.000 0.524 192 G N -0.513 108.322 108.800 0.058 0.000 2.418 192 G HA2 -0.233 3.730 3.960 0.005 0.000 0.217 192 G HA3 -0.233 3.730 3.960 0.005 0.000 0.217 192 G C 1.351 176.280 174.900 0.048 0.000 1.158 192 G CA 1.214 46.325 45.100 0.019 0.000 0.771 192 G HN 0.270 nan 8.290 nan 0.000 0.545 193 D N 0.388 120.820 120.400 0.054 0.000 2.117 193 D HA -0.042 4.601 4.640 0.005 0.000 0.198 193 D C 2.654 178.998 176.300 0.073 0.000 0.982 193 D CA 0.746 54.804 54.000 0.097 0.000 0.828 193 D CB -0.237 40.634 40.800 0.119 0.000 0.967 193 D HN 0.310 nan 8.370 nan 0.000 0.464 194 M N -0.118 119.497 119.600 0.026 0.000 2.175 194 M HA -0.177 4.307 4.480 0.005 0.000 0.264 194 M C 2.162 178.465 176.300 0.004 0.000 1.063 194 M CA 1.145 56.440 55.300 -0.009 0.000 1.119 194 M CB -0.089 32.466 32.600 -0.076 0.000 1.377 194 M HN -0.109 nan 8.290 nan 0.000 0.415 195 Q N 1.016 120.816 119.800 0.000 0.000 2.123 195 Q HA -0.041 4.302 4.340 0.005 0.000 0.199 195 Q C 1.727 177.730 176.000 0.005 0.000 0.966 195 Q CA 1.558 57.358 55.803 -0.006 0.000 0.845 195 Q CB -0.367 28.361 28.738 -0.015 0.000 0.907 195 Q HN 0.529 nan 8.270 nan 0.000 0.439 196 L N -0.398 120.863 121.223 0.064 0.000 2.046 196 L HA -0.149 4.194 4.340 0.005 0.000 0.208 196 L C 2.274 179.256 176.870 0.187 0.000 1.077 196 L CA 1.084 56.006 54.840 0.137 0.000 0.747 196 L CB -0.382 41.832 42.059 0.259 0.000 0.896 196 L HN 0.271 nan 8.230 nan 0.000 0.432 197 I N -0.375 120.319 120.570 0.206 0.000 2.286 197 I HA -0.276 3.897 4.170 0.005 0.000 0.248 197 I C 2.727 179.020 176.117 0.293 0.000 1.115 197 I CA 1.060 62.539 61.300 0.298 0.000 1.392 197 I CB -0.407 37.700 38.000 0.180 0.000 1.065 197 I HN 0.207 nan 8.210 nan 0.000 0.418 198 A N 0.429 123.351 122.820 0.169 0.000 1.930 198 A HA -0.207 4.116 4.320 0.005 0.000 0.217 198 A C 2.199 179.877 177.584 0.156 0.000 1.175 198 A CA 1.546 53.707 52.037 0.207 0.000 0.627 198 A CB -0.484 18.579 19.000 0.106 0.000 0.815 198 A HN 0.432 nan 8.150 nan 0.000 0.443 199 E N -0.233 119.945 120.200 -0.037 0.000 2.106 199 E HA -0.073 4.280 4.350 0.005 0.000 0.192 199 E C 2.313 178.880 176.600 -0.054 0.000 0.984 199 E CA 0.823 57.084 56.400 -0.231 0.000 0.806 199 E CB -0.274 28.958 29.700 -0.780 0.000 0.750 199 E HN 0.618 nan 8.360 nan 0.000 0.458 200 A N 1.095 124.017 122.820 0.170 0.000 1.902 200 A HA -0.231 4.092 4.320 0.005 0.000 0.217 200 A C 2.077 179.907 177.584 0.411 0.000 1.181 200 A CA 1.485 53.777 52.037 0.425 0.000 0.623 200 A CB -0.777 18.610 19.000 0.644 0.000 0.818 200 A HN 0.416 nan 8.150 nan 0.000 0.443 201 Y N 1.467 121.961 120.300 0.323 0.000 2.128 201 Y HA -0.192 4.361 4.550 0.005 0.000 0.284 201 Y C 2.611 178.596 175.900 0.142 0.000 1.154 201 Y CA 1.498 59.754 58.100 0.260 0.000 1.149 201 Y CB -0.900 37.763 38.460 0.339 0.000 0.976 201 Y HN 0.280 nan 8.280 nan 0.000 0.505 202 S N 0.577 116.262 115.700 -0.026 0.000 2.370 202 S HA -0.202 4.271 4.470 0.005 0.000 0.226 202 S C 2.136 176.742 174.600 0.010 0.000 1.033 202 S CA 1.708 59.822 58.200 -0.143 0.000 1.011 202 S CB -0.605 62.549 63.200 -0.077 0.000 0.852 202 S HN 0.484 nan 8.310 nan 0.000 0.457 203 L N 0.732 122.039 121.223 0.141 0.000 2.027 203 L HA -0.048 4.295 4.340 0.005 0.000 0.206 203 L C 2.207 179.267 176.870 0.317 0.000 1.074 203 L CA 0.967 55.983 54.840 0.293 0.000 0.745 203 L CB -0.473 41.789 42.059 0.338 0.000 0.898 203 L HN 0.277 nan 8.230 nan 0.000 0.433 204 L N -0.396 120.970 121.223 0.238 0.000 2.056 204 L HA -0.224 4.119 4.340 0.005 0.000 0.207 204 L C 2.651 179.524 176.870 0.005 0.000 1.078 204 L CA 1.369 56.290 54.840 0.134 0.000 0.749 204 L CB -0.463 41.613 42.059 0.027 0.000 0.901 204 L HN 0.230 nan 8.230 nan 0.000 0.433 205 K N 0.103 120.489 120.400 -0.022 0.000 2.031 205 K HA -0.087 4.236 4.320 0.005 0.000 0.205 205 K C 2.069 178.628 176.600 -0.069 0.000 1.049 205 K CA 1.243 57.482 56.287 -0.080 0.000 0.939 205 K CB -0.236 32.163 32.500 -0.168 0.000 0.717 205 K HN 0.274 nan 8.250 nan 0.000 0.438 206 G N -0.385 108.390 108.800 -0.042 0.000 2.403 206 G HA2 -0.138 3.825 3.960 0.005 0.000 0.216 206 G HA3 -0.138 3.825 3.960 0.005 0.000 0.216 206 G C 1.421 176.342 174.900 0.035 0.000 1.154 206 G CA 0.765 45.863 45.100 -0.003 0.000 0.784 206 G HN 0.473 nan 8.290 nan 0.000 0.538 207 G N 0.272 109.110 108.800 0.063 0.000 2.411 207 G HA2 0.068 4.031 3.960 0.005 0.000 0.213 207 G HA3 0.068 4.031 3.960 0.005 0.000 0.213 207 G C 1.542 176.230 174.900 -0.352 0.000 1.166 207 G CA 0.182 45.253 45.100 -0.049 0.000 0.802 207 G HN 0.376 nan 8.290 nan 0.000 0.533 208 L N -0.507 120.488 121.223 -0.380 0.000 2.616 208 L HA 0.264 4.607 4.340 0.005 0.000 0.229 208 L C 0.405 177.160 176.870 -0.191 0.000 1.110 208 L CA -0.037 54.592 54.840 -0.352 0.000 0.884 208 L CB -0.058 41.788 42.059 -0.355 0.000 1.115 208 L HN 0.246 nan 8.230 nan 0.000 0.481 209 N N 0.281 118.898 118.700 -0.138 0.000 2.735 209 N HA -0.177 4.566 4.740 0.005 0.000 0.248 209 N C -0.323 175.127 175.510 -0.100 0.000 1.083 209 N CA 0.071 53.062 53.050 -0.098 0.000 0.703 209 N CB -1.409 37.029 38.487 -0.083 0.000 1.005 209 N HN 0.218 nan 8.380 nan 0.000 0.550 210 L N 0.620 121.774 121.223 -0.116 0.000 2.456 210 L HA 0.142 4.485 4.340 0.005 0.000 0.272 210 L C 1.635 178.428 176.870 -0.127 0.000 1.189 210 L CA 0.158 54.920 54.840 -0.130 0.000 0.846 210 L CB 0.208 42.169 42.059 -0.163 0.000 1.111 210 L HN 0.262 nan 8.230 nan 0.000 0.475 211 T N -1.436 113.042 114.554 -0.127 0.000 2.816 211 T HA 0.121 4.474 4.350 0.005 0.000 0.282 211 T C 1.058 175.623 174.700 -0.225 0.000 0.993 211 T CA -0.778 61.243 62.100 -0.133 0.000 0.994 211 T CB 0.776 69.592 68.868 -0.086 0.000 1.025 211 T HN 0.465 nan 8.240 nan 0.000 0.529 212 N N 0.418 118.918 118.700 -0.332 0.000 2.223 212 N HA -0.103 4.640 4.740 0.005 0.000 0.185 212 N C 1.690 177.018 175.510 -0.303 0.000 1.016 212 N CA 1.137 53.911 53.050 -0.460 0.000 0.863 212 N CB -0.575 37.350 38.487 -0.937 0.000 0.983 212 N HN 0.795 nan 8.380 nan 0.000 0.429 213 E N 1.425 121.511 120.200 -0.190 0.000 2.106 213 E HA -0.109 4.244 4.350 0.005 0.000 0.192 213 E C 1.440 177.985 176.600 -0.091 0.000 0.984 213 E CA 1.228 57.595 56.400 -0.054 0.000 0.806 213 E CB -0.072 29.644 29.700 0.026 0.000 0.750 213 E HN 0.428 nan 8.360 nan 0.000 0.458 214 E N -0.247 119.874 120.200 -0.132 0.000 2.107 214 E HA -0.105 4.248 4.350 0.005 0.000 0.191 214 E C 2.195 178.658 176.600 -0.227 0.000 0.982 214 E CA 0.828 57.136 56.400 -0.153 0.000 0.809 214 E CB -0.091 29.521 29.700 -0.147 0.000 0.756 214 E HN 0.281 nan 8.360 nan 0.000 0.459 215 L N 0.598 121.646 121.223 -0.292 0.000 2.046 215 L HA -0.177 4.166 4.340 0.005 0.000 0.208 215 L C 2.560 179.325 176.870 -0.175 0.000 1.077 215 L CA 1.051 55.656 54.840 -0.391 0.000 0.747 215 L CB -0.395 41.200 42.059 -0.773 0.000 0.896 215 L HN 0.144 nan 8.230 nan 0.000 0.432 216 A N -0.713 122.058 122.820 -0.082 0.000 1.930 216 A HA -0.264 4.059 4.320 0.005 0.000 0.217 216 A C 2.272 179.857 177.584 0.002 0.000 1.175 216 A CA 1.682 53.761 52.037 0.070 0.000 0.627 216 A CB -0.538 18.517 19.000 0.090 0.000 0.815 216 A HN 0.492 nan 8.150 nan 0.000 0.443 217 Q N -0.701 119.055 119.800 -0.072 0.000 2.084 217 Q HA -0.159 4.184 4.340 0.005 0.000 0.202 217 Q C 1.957 177.848 176.000 -0.181 0.000 0.978 217 Q CA 2.028 57.777 55.803 -0.091 0.000 0.844 217 Q CB -0.253 28.430 28.738 -0.092 0.000 0.898 217 Q HN 0.591 nan 8.270 nan 0.000 0.426 218 T N 0.321 114.672 114.554 -0.338 0.000 2.737 218 T HA -0.103 4.250 4.350 0.005 0.000 0.265 218 T C 1.306 175.481 174.700 -0.876 0.000 1.038 218 T CA 1.286 62.981 62.100 -0.675 0.000 1.144 218 T CB -0.339 67.976 68.868 -0.921 0.000 0.866 218 T HN 0.243 nan 8.240 nan 0.000 0.434 219 F N 1.716 121.331 119.950 -0.559 0.000 2.234 219 F HA -0.074 4.456 4.527 0.005 0.000 0.299 219 F C 2.791 178.532 175.800 -0.097 0.000 1.087 219 F CA 0.887 58.698 58.000 -0.316 0.000 1.340 219 F CB -1.118 37.803 39.000 -0.132 0.000 1.031 219 F HN 0.104 nan 8.300 nan 0.000 0.500 220 T N -0.897 113.697 114.554 0.066 0.000 2.746 220 T HA -0.229 4.124 4.350 0.005 0.000 0.267 220 T C 1.906 176.648 174.700 0.070 0.000 1.039 220 T CA 1.562 63.704 62.100 0.071 0.000 1.142 220 T CB -0.275 68.615 68.868 0.036 0.000 0.866 220 T HN 0.344 nan 8.240 nan 0.000 0.444 221 E N -0.475 119.732 120.200 0.012 0.000 2.072 221 E HA -0.149 4.204 4.350 0.005 0.000 0.191 221 E C 1.906 178.639 176.600 0.222 0.000 0.985 221 E CA 1.026 57.469 56.400 0.071 0.000 0.801 221 E CB -0.044 29.670 29.700 0.023 0.000 0.750 221 E HN 0.524 nan 8.360 nan 0.000 0.452 222 W N 1.169 122.465 121.300 -0.007 0.000 2.342 222 W HA -0.117 4.547 4.660 0.006 0.000 0.297 222 W C 2.099 178.634 176.519 0.027 0.000 1.213 222 W CA 1.016 58.356 57.345 -0.008 0.000 1.251 222 W CB -1.391 28.067 29.460 -0.005 0.000 1.136 222 W HN 0.222 nan 8.180 nan 0.000 0.526 223 N N 0.673 119.555 118.700 0.303 0.000 2.443 223 N HA -0.185 4.558 4.740 0.005 0.000 0.184 223 N C 1.325 176.917 175.510 0.137 0.000 1.037 223 N CA 1.346 54.519 53.050 0.204 0.000 0.896 223 N CB -0.519 38.076 38.487 0.180 0.000 0.959 223 N HN 0.082 nan 8.380 nan 0.000 0.442 224 N N -0.986 117.788 118.700 0.124 0.000 2.354 224 N HA 0.033 4.776 4.740 0.005 0.000 0.179 224 N C 0.829 176.377 175.510 0.063 0.000 1.021 224 N CA 0.971 54.071 53.050 0.084 0.000 0.887 224 N CB -0.073 38.458 38.487 0.072 0.000 0.974 224 N HN 0.247 nan 8.380 nan 0.000 0.437 225 G N -0.168 108.665 108.800 0.054 0.000 2.849 225 G HA2 0.081 4.044 3.960 0.005 0.000 0.174 225 G HA3 0.081 4.044 3.960 0.005 0.000 0.174 225 G C 0.499 175.382 174.900 -0.030 0.000 1.370 225 G CA 0.162 45.265 45.100 0.004 0.000 1.040 225 G HN 0.399 nan 8.290 nan 0.000 0.582 226 E N -0.316 119.807 120.200 -0.127 0.000 2.209 226 E HA -0.102 4.251 4.350 0.005 0.000 0.196 226 E C 2.103 178.590 176.600 -0.189 0.000 0.993 226 E CA 0.766 57.048 56.400 -0.198 0.000 0.819 226 E CB -0.232 29.213 29.700 -0.425 0.000 0.745 226 E HN 0.323 nan 8.360 nan 0.000 0.477 227 L N 1.697 122.804 121.223 -0.193 0.000 2.552 227 L HA 0.022 4.365 4.340 0.005 0.000 0.227 227 L C 1.222 178.155 176.870 0.105 0.000 1.146 227 L CA -0.182 54.645 54.840 -0.022 0.000 0.858 227 L CB -0.051 42.003 42.059 -0.009 0.000 0.969 227 L HN 0.025 nan 8.230 nan 0.000 0.451 228 S N 0.469 116.231 115.700 0.104 0.000 2.931 228 S HA 0.045 4.518 4.470 0.005 0.000 0.342 228 S C 0.199 174.897 174.600 0.164 0.000 1.220 228 S CA 0.324 58.605 58.200 0.135 0.000 1.045 228 S CB -0.161 63.108 63.200 0.115 0.000 0.758 228 S HN 0.466 nan 8.310 nan 0.000 0.508 229 S N 4.540 120.342 115.700 0.170 0.000 2.567 229 S HA 0.325 4.799 4.470 0.005 0.000 0.270 229 S C -0.050 174.668 174.600 0.196 0.000 1.152 229 S CA -0.735 57.583 58.200 0.196 0.000 0.835 229 S CB 0.438 63.751 63.200 0.189 0.000 1.115 229 S HN 0.719 nan 8.310 nan 0.000 0.459 230 Y N 1.785 122.147 120.300 0.103 0.000 2.145 230 Y HA 0.052 4.605 4.550 0.005 0.000 0.286 230 Y C 1.726 177.657 175.900 0.052 0.000 1.145 230 Y CA 1.916 60.061 58.100 0.075 0.000 1.148 230 Y CB -0.437 38.070 38.460 0.078 0.000 0.981 230 Y HN 0.687 nan 8.280 nan 0.000 0.507 231 L N -0.439 120.778 121.223 -0.009 0.000 2.083 231 L HA -0.220 4.123 4.340 0.005 0.000 0.209 231 L C 2.399 179.174 176.870 -0.158 0.000 1.083 231 L CA 1.304 56.051 54.840 -0.154 0.000 0.752 231 L CB -0.460 41.596 42.059 -0.005 0.000 0.899 231 L HN 0.273 nan 8.230 nan 0.000 0.433 232 I N -0.299 120.258 120.570 -0.022 0.000 2.439 232 I HA -0.257 3.916 4.170 0.005 0.000 0.251 232 I C 2.188 178.274 176.117 -0.052 0.000 1.139 232 I CA 1.084 62.394 61.300 0.016 0.000 1.438 232 I CB -0.253 37.885 38.000 0.229 0.000 1.085 232 I HN 0.290 nan 8.210 nan 0.000 0.427 233 D N 1.610 121.975 120.400 -0.059 0.000 2.097 233 D HA -0.198 4.445 4.640 0.005 0.000 0.195 233 D C 2.114 178.312 176.300 -0.171 0.000 0.989 233 D CA 1.518 55.480 54.000 -0.063 0.000 0.827 233 D CB -0.116 40.678 40.800 -0.011 0.000 0.966 233 D HN 0.507 nan 8.370 nan 0.000 0.456 234 I N -2.079 118.285 120.570 -0.343 0.000 2.546 234 I HA -0.080 4.093 4.170 0.005 0.000 0.255 234 I C 1.782 177.706 176.117 -0.321 0.000 1.163 234 I CA 1.038 62.125 61.300 -0.356 0.000 1.457 234 I CB -0.612 37.076 38.000 -0.521 0.000 1.092 234 I HN -0.169 nan 8.210 nan 0.000 0.434 235 T N 2.264 116.601 114.554 -0.362 0.000 2.777 235 T HA -0.136 4.217 4.350 0.005 0.000 0.266 235 T C 1.705 176.199 174.700 -0.344 0.000 1.040 235 T CA 2.254 64.063 62.100 -0.484 0.000 1.141 235 T CB -0.186 68.264 68.868 -0.697 0.000 0.868 235 T HN 0.560 nan 8.240 nan 0.000 0.444 236 K N 1.688 121.985 120.400 -0.172 0.000 2.211 236 K HA -0.051 4.272 4.320 0.005 0.000 0.203 236 K C 1.541 178.138 176.600 -0.005 0.000 1.050 236 K CA 1.458 57.759 56.287 0.023 0.000 0.945 236 K CB -0.334 32.219 32.500 0.089 0.000 0.732 236 K HN 0.138 nan 8.250 nan 0.000 0.451 237 D N 1.003 121.355 120.400 -0.079 0.000 2.117 237 D HA -0.077 4.566 4.640 0.005 0.000 0.198 237 D C 1.935 178.172 176.300 -0.105 0.000 0.982 237 D CA 1.217 55.176 54.000 -0.068 0.000 0.828 237 D CB -0.190 40.559 40.800 -0.086 0.000 0.967 237 D HN 0.259 nan 8.370 nan 0.000 0.464 238 I N 0.108 120.536 120.570 -0.236 0.000 2.264 238 I HA -0.263 3.910 4.170 0.005 0.000 0.248 238 I C 1.851 177.767 176.117 -0.334 0.000 1.111 238 I CA 0.785 61.881 61.300 -0.340 0.000 1.382 238 I CB -0.138 37.528 38.000 -0.556 0.000 1.060 238 I HN -0.109 nan 8.210 nan 0.000 0.418 239 F N 0.455 120.320 119.950 -0.143 0.000 2.502 239 F HA -0.096 4.434 4.527 0.005 0.000 0.298 239 F C 2.432 178.220 175.800 -0.019 0.000 1.111 239 F CA 1.029 58.945 58.000 -0.140 0.000 1.445 239 F CB -0.835 38.057 39.000 -0.180 0.000 1.081 239 F HN -0.001 nan 8.300 nan 0.000 0.558 240 T N -1.830 112.833 114.554 0.182 0.000 3.054 240 T HA -0.040 4.313 4.350 0.005 0.000 0.259 240 T C 0.891 175.725 174.700 0.222 0.000 1.092 240 T CA 0.100 62.335 62.100 0.226 0.000 1.121 240 T CB -0.050 68.886 68.868 0.114 0.000 0.912 240 T HN -0.213 nan 8.240 nan 0.000 0.489 241 K N 3.250 123.734 120.400 0.140 0.000 2.402 241 K HA 0.115 4.438 4.320 0.005 0.000 0.285 241 K C -0.375 176.254 176.600 0.047 0.000 1.054 241 K CA 0.358 56.683 56.287 0.063 0.000 1.001 241 K CB 0.091 32.592 32.500 0.001 0.000 0.946 241 K HN 0.125 nan 8.250 nan 0.000 0.473 242 K N 3.418 123.778 120.400 -0.066 0.000 2.130 242 K HA 0.107 4.430 4.320 0.005 0.000 0.268 242 K C -0.676 175.863 176.600 -0.102 0.000 0.983 242 K CA -0.853 55.326 56.287 -0.181 0.000 0.893 242 K CB 1.086 33.418 32.500 -0.280 0.000 1.066 242 K HN 0.686 nan 8.250 nan 0.000 0.450 243 D N 1.516 121.859 120.400 -0.096 0.000 2.372 243 D HA -0.047 4.596 4.640 0.005 0.000 0.243 243 D C 0.662 176.925 176.300 -0.062 0.000 1.121 243 D CA 0.000 53.968 54.000 -0.055 0.000 0.898 243 D CB 0.899 41.679 40.800 -0.034 0.000 1.202 243 D HN 0.343 nan 8.370 nan 0.000 0.428 244 E N 1.909 122.083 120.200 -0.043 0.000 2.483 244 E HA -0.192 4.161 4.350 0.005 0.000 0.205 244 E C 0.141 176.717 176.600 -0.041 0.000 1.075 244 E CA 0.757 57.133 56.400 -0.039 0.000 0.889 244 E CB -0.033 29.651 29.700 -0.028 0.000 0.816 244 E HN 0.478 nan 8.360 nan 0.000 0.567 245 D N -1.313 119.058 120.400 -0.047 0.000 2.501 245 D HA 0.185 4.828 4.640 0.005 0.000 0.224 245 D C 0.996 177.259 176.300 -0.062 0.000 1.202 245 D CA 0.427 54.401 54.000 -0.044 0.000 0.829 245 D CB 0.334 41.116 40.800 -0.030 0.000 1.023 245 D HN 0.150 nan 8.370 nan 0.000 0.499 246 G N 0.614 109.358 108.800 -0.094 0.000 2.199 246 G HA2 -0.293 3.670 3.960 0.005 0.000 0.254 246 G HA3 -0.293 3.670 3.960 0.005 0.000 0.254 246 G C 0.425 175.206 174.900 -0.199 0.000 0.982 246 G CA 0.016 45.036 45.100 -0.133 0.000 0.632 246 G HN 0.452 nan 8.290 nan 0.000 0.529 247 N N -0.921 117.685 118.700 -0.157 0.000 2.477 247 N HA 0.583 5.326 4.740 0.005 0.000 0.284 247 N C -0.653 174.743 175.510 -0.189 0.000 1.182 247 N CA -0.777 52.190 53.050 -0.138 0.000 0.949 247 N CB 0.685 39.163 38.487 -0.016 0.000 1.204 247 N HN 0.101 nan 8.380 nan 0.000 0.526 248 Y N 1.548 121.863 120.300 0.026 0.000 2.359 248 Y HA 0.044 4.597 4.550 0.005 0.000 0.334 248 Y C 1.047 176.955 175.900 0.014 0.000 1.058 248 Y CA -0.259 57.857 58.100 0.027 0.000 1.244 248 Y CB 0.806 39.303 38.460 0.061 0.000 1.187 248 Y HN 0.499 nan 8.280 nan 0.000 0.510 249 L N 3.678 124.973 121.223 0.120 0.000 2.083 249 L HA -0.136 4.207 4.340 0.005 0.000 0.209 249 L C 2.070 178.965 176.870 0.042 0.000 1.083 249 L CA 1.447 56.317 54.840 0.051 0.000 0.752 249 L CB -0.671 41.393 42.059 0.007 0.000 0.899 249 L HN 0.647 nan 8.230 nan 0.000 0.433 250 V N -0.144 119.789 119.914 0.032 0.000 2.568 250 V HA -0.280 3.843 4.120 0.005 0.000 0.253 250 V C 1.834 177.963 176.094 0.059 0.000 1.072 250 V CA 2.274 64.559 62.300 -0.025 0.000 1.084 250 V CB -0.605 31.114 31.823 -0.173 0.000 0.676 250 V HN 0.558 nan 8.190 nan 0.000 0.469 251 D N -0.109 120.362 120.400 0.118 0.000 2.348 251 D HA -0.039 4.604 4.640 0.005 0.000 0.216 251 D C 1.572 177.922 176.300 0.083 0.000 0.970 251 D CA 1.549 55.623 54.000 0.125 0.000 0.889 251 D CB 0.267 41.157 40.800 0.150 0.000 0.912 251 D HN 0.628 nan 8.370 nan 0.000 0.524 252 V N -1.542 118.408 119.914 0.061 0.000 3.319 252 V HA 0.290 4.413 4.120 0.005 0.000 0.317 252 V C 0.724 176.832 176.094 0.024 0.000 1.411 252 V CA -0.416 61.908 62.300 0.039 0.000 1.112 252 V CB -0.226 31.615 31.823 0.030 0.000 1.031 252 V HN -0.109 nan 8.190 nan 0.000 0.448 253 I N 1.952 122.535 120.570 0.021 0.000 2.441 253 I HA 0.234 4.407 4.170 0.005 0.000 0.287 253 I C 0.150 176.274 176.117 0.012 0.000 1.049 253 I CA -0.545 60.758 61.300 0.005 0.000 1.381 253 I CB 1.536 39.528 38.000 -0.013 0.000 1.409 253 I HN 0.192 nan 8.210 nan 0.000 0.523 254 L N 7.366 128.592 121.223 0.006 0.000 2.499 254 L HA -0.005 4.339 4.340 0.005 0.000 0.273 254 L C 0.593 177.468 176.870 0.008 0.000 1.195 254 L CA 0.143 54.987 54.840 0.008 0.000 0.882 254 L CB 0.175 42.236 42.059 0.003 0.000 1.133 254 L HN 0.566 nan 8.230 nan 0.000 0.483 255 D N 4.516 124.925 120.400 0.016 0.000 2.994 255 D HA 0.042 4.685 4.640 0.005 0.000 0.240 255 D C -0.650 175.658 176.300 0.013 0.000 1.195 255 D CA -0.058 53.953 54.000 0.019 0.000 0.957 255 D CB -0.268 40.550 40.800 0.030 0.000 1.105 255 D HN 0.590 nan 8.370 nan 0.000 0.477 256 E N 0.348 120.551 120.200 0.006 0.000 2.235 256 E HA 0.489 4.842 4.350 0.005 0.000 0.252 256 E C -0.945 175.655 176.600 -0.001 0.000 0.886 256 E CA -0.893 55.512 56.400 0.008 0.000 0.767 256 E CB 1.844 31.548 29.700 0.007 0.000 1.205 256 E HN 0.364 nan 8.360 nan 0.000 0.421 257 A N 2.650 125.471 122.820 0.001 0.000 2.302 257 A HA 0.660 4.983 4.320 0.005 0.000 0.295 257 A C 0.220 177.798 177.584 -0.010 0.000 1.235 257 A CA -0.237 51.784 52.037 -0.026 0.000 0.876 257 A CB 0.565 19.533 19.000 -0.054 0.000 1.133 257 A HN 0.661 nan 8.150 nan 0.000 0.533 258 A N 2.239 125.042 122.820 -0.027 0.000 2.257 258 A HA 0.684 5.007 4.320 0.005 0.000 0.290 258 A C 0.740 178.319 177.584 -0.009 0.000 1.201 258 A CA 0.245 52.279 52.037 -0.005 0.000 0.863 258 A CB 0.359 19.351 19.000 -0.012 0.000 1.256 258 A HN 1.591 nan 8.150 nan 0.000 0.506 259 N N -3.498 115.221 118.700 0.031 0.000 2.152 259 N HA -0.047 4.696 4.740 0.005 0.000 0.309 259 N C -0.237 175.295 175.510 0.037 0.000 1.006 259 N CA 0.594 53.693 53.050 0.082 0.000 0.678 259 N CB 0.015 38.635 38.487 0.221 0.000 2.012 259 N HN 0.578 nan 8.380 nan 0.000 0.795 260 K N -0.284 120.124 120.400 0.012 0.000 3.399 260 K HA -0.078 4.245 4.320 0.005 0.000 0.298 260 K C 0.766 177.329 176.600 -0.060 0.000 1.326 260 K CA 0.613 56.884 56.287 -0.025 0.000 0.874 260 K CB -2.076 30.403 32.500 -0.034 0.000 1.403 260 K HN 0.925 nan 8.250 nan 0.000 0.492 261 G N -0.149 108.618 108.800 -0.055 0.000 2.176 261 G HA2 -0.373 3.590 3.960 0.005 0.000 0.253 261 G HA3 -0.373 3.590 3.960 0.005 0.000 0.253 261 G C 0.624 175.370 174.900 -0.257 0.000 0.979 261 G CA 1.435 46.488 45.100 -0.078 0.000 0.641 261 G HN 0.739 nan 8.290 nan 0.000 0.530 262 T N -3.092 111.189 114.554 -0.455 0.000 2.959 262 T HA 0.417 4.770 4.350 0.005 0.000 0.254 262 T C 2.238 176.389 174.700 -0.914 0.000 1.003 262 T CA 1.165 62.583 62.100 -1.137 0.000 0.950 262 T CB 0.434 68.599 68.868 -1.171 0.000 1.090 262 T HN 1.085 nan 8.240 nan 0.000 0.503 263 G N 2.902 111.441 108.800 -0.435 0.000 2.498 263 G HA2 -0.156 3.807 3.960 0.005 0.000 0.219 263 G HA3 -0.156 3.807 3.960 0.005 0.000 0.219 263 G C 1.481 176.089 174.900 -0.486 0.000 1.119 263 G CA 0.833 45.599 45.100 -0.557 0.000 0.766 263 G HN 0.726 nan 8.290 nan 0.000 0.552 264 K N -0.863 119.391 120.400 -0.244 0.000 2.418 264 K HA 0.008 4.331 4.320 0.005 0.000 0.195 264 K C 1.785 178.426 176.600 0.068 0.000 1.035 264 K CA 0.095 56.337 56.287 -0.075 0.000 1.003 264 K CB -0.132 32.429 32.500 0.101 0.000 0.793 264 K HN 0.260 nan 8.250 nan 0.000 0.494 265 W N 2.645 123.890 121.300 -0.090 0.000 2.355 265 W HA -0.060 4.603 4.660 0.005 0.000 0.309 265 W C 2.058 178.576 176.519 -0.003 0.000 1.206 265 W CA 1.188 58.533 57.345 -0.000 0.000 1.284 265 W CB -1.359 28.160 29.460 0.099 0.000 1.145 265 W HN 0.114 nan 8.180 nan 0.000 0.502 266 T N 0.269 114.893 114.554 0.117 0.000 2.684 266 T HA -0.190 4.163 4.350 0.005 0.000 0.267 266 T C 2.020 176.723 174.700 0.006 0.000 1.036 266 T CA 2.301 64.393 62.100 -0.013 0.000 1.148 266 T CB -0.589 68.201 68.868 -0.131 0.000 0.863 266 T HN 0.005 nan 8.240 nan 0.000 0.436 267 S N 1.260 116.936 115.700 -0.041 0.000 2.382 267 S HA -0.113 4.360 4.470 0.005 0.000 0.228 267 S C 2.224 176.845 174.600 0.034 0.000 1.027 267 S CA 0.943 59.112 58.200 -0.053 0.000 0.991 267 S CB -0.309 62.792 63.200 -0.166 0.000 0.823 267 S HN 0.561 nan 8.310 nan 0.000 0.469 268 Q N 0.444 120.301 119.800 0.096 0.000 2.167 268 Q HA -0.052 4.292 4.340 0.005 0.000 0.202 268 Q C 2.377 178.488 176.000 0.184 0.000 0.970 268 Q CA 1.291 57.179 55.803 0.142 0.000 0.855 268 Q CB -0.241 28.597 28.738 0.166 0.000 0.911 268 Q HN 0.483 nan 8.270 nan 0.000 0.438 269 S N 0.242 116.077 115.700 0.226 0.000 2.387 269 S HA -0.092 4.381 4.470 0.005 0.000 0.226 269 S C 2.010 176.739 174.600 0.214 0.000 1.026 269 S CA 0.881 59.256 58.200 0.291 0.000 0.972 269 S CB -0.117 63.282 63.200 0.331 0.000 0.814 269 S HN 0.437 nan 8.310 nan 0.000 0.477 270 A N 1.628 124.532 122.820 0.141 0.000 1.883 270 A HA -0.027 4.296 4.320 0.005 0.000 0.217 270 A C 2.192 179.835 177.584 0.098 0.000 1.186 270 A CA 1.644 53.741 52.037 0.100 0.000 0.624 270 A CB -0.950 18.077 19.000 0.045 0.000 0.822 270 A HN 0.575 nan 8.150 nan 0.000 0.444 271 L N -0.577 120.705 121.223 0.097 0.000 2.083 271 L HA -0.199 4.144 4.340 0.005 0.000 0.209 271 L C 2.048 178.980 176.870 0.103 0.000 1.083 271 L CA 1.461 56.357 54.840 0.095 0.000 0.752 271 L CB -0.528 41.589 42.059 0.096 0.000 0.899 271 L HN 0.331 nan 8.230 nan 0.000 0.433 272 D N -0.139 120.341 120.400 0.132 0.000 2.178 272 D HA -0.096 4.547 4.640 0.005 0.000 0.202 272 D C 2.182 178.544 176.300 0.103 0.000 0.974 272 D CA 1.177 55.257 54.000 0.133 0.000 0.841 272 D CB 0.093 41.013 40.800 0.199 0.000 0.953 272 D HN 0.320 nan 8.370 nan 0.000 0.478 273 L N -0.722 120.564 121.223 0.105 0.000 2.567 273 L HA 0.191 4.534 4.340 0.005 0.000 0.225 273 L C 1.342 178.237 176.870 0.042 0.000 1.119 273 L CA 0.337 55.211 54.840 0.056 0.000 0.871 273 L CB 0.131 42.230 42.059 0.067 0.000 1.036 273 L HN 0.066 nan 8.230 nan 0.000 0.459 274 G N 0.255 109.090 108.800 0.058 0.000 2.137 274 G HA2 -0.201 3.763 3.960 0.005 0.000 0.237 274 G HA3 -0.201 3.763 3.960 0.005 0.000 0.237 274 G C -0.033 174.904 174.900 0.063 0.000 1.002 274 G CA -0.283 44.850 45.100 0.054 0.000 0.702 274 G HN 0.273 nan 8.290 nan 0.000 0.515 275 E N 0.640 120.881 120.200 0.068 0.000 2.175 275 E HA 0.378 4.731 4.350 0.005 0.000 0.278 275 E C -2.222 174.422 176.600 0.074 0.000 0.969 275 E CA -1.867 54.576 56.400 0.071 0.000 0.796 275 E CB 1.952 31.688 29.700 0.060 0.000 1.104 275 E HN 0.195 nan 8.360 nan 0.000 0.395 276 P HA 0.146 nan 4.420 nan 0.000 0.238 276 P C -0.163 177.158 177.300 0.034 0.000 1.794 276 P CA -0.322 62.846 63.100 0.113 0.000 1.088 276 P CB -0.134 31.697 31.700 0.219 0.000 1.923 277 L N 2.843 124.059 121.223 -0.011 0.000 2.648 277 L HA 0.091 4.434 4.340 0.005 0.000 0.238 277 L C 1.632 178.448 176.870 -0.090 0.000 1.316 277 L CA 0.200 54.990 54.840 -0.083 0.000 1.241 277 L CB -0.351 41.669 42.059 -0.065 0.000 1.499 277 L HN 0.154 nan 8.230 nan 0.000 0.411 278 S N 0.426 116.079 115.700 -0.078 0.000 2.406 278 S HA -0.153 4.320 4.470 0.005 0.000 0.228 278 S C 1.709 176.276 174.600 -0.055 0.000 1.020 278 S CA 0.897 59.077 58.200 -0.034 0.000 0.965 278 S CB -0.367 62.857 63.200 0.040 0.000 0.798 278 S HN 0.599 nan 8.310 nan 0.000 0.488 279 L N 0.679 121.848 121.223 -0.090 0.000 2.023 279 L HA 0.161 4.504 4.340 0.005 0.000 0.205 279 L C 2.478 179.306 176.870 -0.071 0.000 1.073 279 L CA 1.220 56.028 54.840 -0.055 0.000 0.745 279 L CB -0.295 41.731 42.059 -0.054 0.000 0.900 279 L HN 0.272 nan 8.230 nan 0.000 0.435 280 I N -0.652 119.854 120.570 -0.107 0.000 2.264 280 I HA -0.319 3.854 4.170 0.005 0.000 0.248 280 I C 2.269 178.280 176.117 -0.177 0.000 1.111 280 I CA 1.669 62.896 61.300 -0.123 0.000 1.382 280 I CB -0.362 37.546 38.000 -0.153 0.000 1.060 280 I HN 0.304 nan 8.210 nan 0.000 0.418 281 T N -0.207 114.217 114.554 -0.217 0.000 2.777 281 T HA -0.118 4.235 4.350 0.005 0.000 0.266 281 T C 1.781 176.210 174.700 -0.452 0.000 1.040 281 T CA 0.968 62.833 62.100 -0.390 0.000 1.141 281 T CB -0.136 68.525 68.868 -0.344 0.000 0.868 281 T HN 0.247 nan 8.240 nan 0.000 0.444 282 E N 1.387 121.483 120.200 -0.172 0.000 2.204 282 E HA -0.032 4.321 4.350 0.005 0.000 0.195 282 E C 2.494 179.074 176.600 -0.034 0.000 0.990 282 E CA 0.653 57.044 56.400 -0.014 0.000 0.821 282 E CB -0.390 29.345 29.700 0.058 0.000 0.750 282 E HN 0.391 nan 8.360 nan 0.000 0.477 283 S N 0.309 115.966 115.700 -0.071 0.000 2.383 283 S HA -0.087 4.386 4.470 0.005 0.000 0.227 283 S C 2.228 176.797 174.600 -0.050 0.000 1.026 283 S CA 0.892 59.072 58.200 -0.033 0.000 0.981 283 S CB -0.118 63.087 63.200 0.008 0.000 0.818 283 S HN 0.067 nan 8.310 nan 0.000 0.472 284 V N 1.306 121.125 119.914 -0.158 0.000 2.307 284 V HA -0.128 3.995 4.120 0.005 0.000 0.245 284 V C 1.978 177.804 176.094 -0.448 0.000 1.045 284 V CA 1.556 63.677 62.300 -0.299 0.000 1.024 284 V CB -0.829 30.673 31.823 -0.536 0.000 0.651 284 V HN 0.384 nan 8.190 nan 0.000 0.449 285 F N 0.937 120.678 119.950 -0.347 0.000 2.269 285 F HA -0.053 4.477 4.527 0.005 0.000 0.301 285 F C 2.389 178.143 175.800 -0.078 0.000 1.082 285 F CA 0.698 58.559 58.000 -0.231 0.000 1.360 285 F CB -1.376 37.578 39.000 -0.077 0.000 1.041 285 F HN 0.121 nan 8.300 nan 0.000 0.512 286 A N 0.101 122.986 122.820 0.108 0.000 1.930 286 A HA -0.149 4.174 4.320 0.005 0.000 0.217 286 A C 2.423 180.045 177.584 0.064 0.000 1.175 286 A CA 1.119 53.199 52.037 0.072 0.000 0.627 286 A CB -0.513 18.503 19.000 0.028 0.000 0.815 286 A HN 0.260 nan 8.150 nan 0.000 0.443 287 R N -1.572 118.947 120.500 0.032 0.000 2.075 287 R HA -0.113 4.230 4.340 0.005 0.000 0.232 287 R C 1.946 178.380 176.300 0.223 0.000 1.126 287 R CA 1.500 57.641 56.100 0.068 0.000 0.963 287 R CB -0.480 29.835 30.300 0.025 0.000 0.858 287 R HN 0.602 nan 8.270 nan 0.000 0.435 288 Y N 0.732 121.096 120.300 0.108 0.000 2.181 288 Y HA -0.163 4.390 4.550 0.005 0.000 0.288 288 Y C 2.201 178.135 175.900 0.056 0.000 1.146 288 Y CA 0.345 58.504 58.100 0.097 0.000 1.164 288 Y CB -0.641 37.917 38.460 0.163 0.000 0.982 288 Y HN 0.065 nan 8.280 nan 0.000 0.515 289 I N -0.177 120.525 120.570 0.221 0.000 2.439 289 I HA -0.243 3.930 4.170 0.005 0.000 0.251 289 I C 2.379 178.543 176.117 0.079 0.000 1.139 289 I CA 1.278 62.645 61.300 0.113 0.000 1.438 289 I CB -0.199 37.847 38.000 0.078 0.000 1.085 289 I HN 0.237 nan 8.210 nan 0.000 0.427 290 S N -0.674 115.075 115.700 0.081 0.000 2.399 290 S HA -0.143 4.330 4.470 0.005 0.000 0.231 290 S C 1.901 176.528 174.600 0.046 0.000 1.022 290 S CA 1.469 59.699 58.200 0.050 0.000 0.983 290 S CB -0.493 62.730 63.200 0.039 0.000 0.803 290 S HN 0.402 nan 8.310 nan 0.000 0.480 291 S N 1.234 116.974 115.700 0.066 0.000 2.555 291 S HA 0.296 4.769 4.470 0.005 0.000 0.230 291 S C 0.787 175.400 174.600 0.021 0.000 0.978 291 S CA 0.285 58.510 58.200 0.041 0.000 0.934 291 S CB -0.380 62.848 63.200 0.048 0.000 0.766 291 S HN 0.497 nan 8.310 nan 0.000 0.533 292 L N 1.674 122.913 121.223 0.026 0.000 3.035 292 L HA 0.277 4.620 4.340 0.005 0.000 0.232 292 L C 1.522 178.397 176.870 0.009 0.000 1.341 292 L CA -0.258 54.589 54.840 0.011 0.000 1.177 292 L CB 0.089 42.156 42.059 0.012 0.000 1.555 292 L HN 0.055 nan 8.230 nan 0.000 0.473 293 K N 0.619 121.024 120.400 0.009 0.000 2.063 293 K HA -0.191 4.132 4.320 0.005 0.000 0.208 293 K C 1.387 177.989 176.600 0.003 0.000 1.048 293 K CA 1.719 58.011 56.287 0.007 0.000 0.928 293 K CB 0.166 32.670 32.500 0.007 0.000 0.713 293 K HN 0.252 nan 8.250 nan 0.000 0.442 294 D N 0.376 120.776 120.400 -0.000 0.000 2.144 294 D HA -0.157 4.486 4.640 0.005 0.000 0.199 294 D C 1.924 178.223 176.300 -0.003 0.000 0.984 294 D CA 1.157 55.156 54.000 -0.002 0.000 0.834 294 D CB -0.117 40.681 40.800 -0.004 0.000 0.955 294 D HN 0.414 nan 8.370 nan 0.000 0.465 295 Q N 0.032 119.830 119.800 -0.003 0.000 2.119 295 Q HA -0.046 4.297 4.340 0.005 0.000 0.201 295 Q C 2.274 178.272 176.000 -0.002 0.000 0.972 295 Q CA 0.839 56.639 55.803 -0.004 0.000 0.847 295 Q CB 0.060 28.794 28.738 -0.006 0.000 0.903 295 Q HN 0.269 nan 8.270 nan 0.000 0.433 296 R N -0.209 120.292 120.500 0.000 0.000 2.075 296 R HA -0.088 4.255 4.340 0.005 0.000 0.232 296 R C 2.318 178.617 176.300 -0.001 0.000 1.126 296 R CA 1.178 57.279 56.100 0.001 0.000 0.963 296 R CB -0.283 30.020 30.300 0.005 0.000 0.858 296 R HN 0.094 nan 8.270 nan 0.000 0.435 297 V N 1.121 121.035 119.914 -0.000 0.000 2.358 297 V HA -0.231 3.892 4.120 0.005 0.000 0.246 297 V C 2.474 178.567 176.094 -0.002 0.000 1.047 297 V CA 1.933 64.232 62.300 -0.001 0.000 1.035 297 V CB -0.688 31.135 31.823 0.000 0.000 0.658 297 V HN 0.393 nan 8.190 nan 0.000 0.452 298 A N 0.133 122.951 122.820 -0.003 0.000 1.883 298 A HA -0.168 4.155 4.320 0.005 0.000 0.217 298 A C 2.420 180.001 177.584 -0.005 0.000 1.186 298 A CA 2.248 54.282 52.037 -0.004 0.000 0.624 298 A CB -0.842 18.155 19.000 -0.005 0.000 0.822 298 A HN 0.583 nan 8.150 nan 0.000 0.444 299 A N 0.235 123.052 122.820 -0.005 0.000 1.972 299 A HA -0.068 4.255 4.320 0.005 0.000 0.219 299 A C 2.442 180.023 177.584 -0.006 0.000 1.169 299 A CA 2.177 54.211 52.037 -0.006 0.000 0.635 299 A CB -0.960 18.037 19.000 -0.006 0.000 0.810 299 A HN 1.091 nan 8.150 nan 0.000 0.446 300 S N -0.231 115.466 115.700 -0.005 0.000 2.469 300 S HA -0.112 4.361 4.470 0.005 0.000 0.238 300 S C 1.516 176.113 174.600 -0.006 0.000 0.998 300 S CA 1.445 59.641 58.200 -0.006 0.000 0.957 300 S CB -0.306 62.891 63.200 -0.005 0.000 0.764 300 S HN 0.618 nan 8.310 nan 0.000 0.514 301 K N 0.128 120.525 120.400 -0.005 0.000 2.404 301 K HA 0.275 4.598 4.320 0.005 0.000 0.194 301 K C 0.986 177.582 176.600 -0.005 0.000 1.023 301 K CA 0.346 56.630 56.287 -0.005 0.000 1.094 301 K CB 0.405 32.903 32.500 -0.004 0.000 0.841 301 K HN 0.309 nan 8.250 nan 0.000 0.523 302 V N 0.524 120.435 119.914 -0.006 0.000 2.996 302 V HA 0.106 4.229 4.120 0.005 0.000 0.235 302 V C 0.678 176.768 176.094 -0.007 0.000 1.205 302 V CA 0.049 62.345 62.300 -0.006 0.000 1.225 302 V CB 0.300 32.119 31.823 -0.006 0.000 0.995 302 V HN 0.091 nan 8.190 nan 0.000 0.484 303 L N 1.879 123.097 121.223 -0.007 0.000 2.395 303 L HA 0.453 4.796 4.340 0.005 0.000 0.269 303 L C 0.408 177.272 176.870 -0.009 0.000 1.133 303 L CA 0.184 55.019 54.840 -0.008 0.000 0.812 303 L CB 1.194 43.248 42.059 -0.009 0.000 1.125 303 L HN 0.384 nan 8.230 nan 0.000 0.452 304 S N 0.750 116.444 115.700 -0.010 0.000 2.638 304 S HA 0.940 5.413 4.470 0.005 0.000 0.298 304 S C -0.229 174.363 174.600 -0.013 0.000 1.111 304 S CA -0.297 57.896 58.200 -0.011 0.000 1.027 304 S CB 2.210 65.404 63.200 -0.010 0.000 1.064 304 S HN 0.871 nan 8.310 nan 0.000 0.525 305 G N 0.497 109.287 108.800 -0.016 0.000 2.608 305 G HA2 0.662 4.625 3.960 0.005 0.000 0.291 305 G HA3 0.662 4.625 3.960 0.005 0.000 0.291 305 G C -3.083 171.803 174.900 -0.023 0.000 1.425 305 G CA -1.046 44.042 45.100 -0.020 0.000 0.787 305 G HN 0.746 nan 8.290 nan 0.000 0.484 306 P HA 0.370 nan 4.420 nan 0.000 0.277 306 P C -0.676 176.600 177.300 -0.040 0.000 1.271 306 P CA -0.364 62.714 63.100 -0.036 0.000 0.795 306 P CB 1.006 32.678 31.700 -0.048 0.000 1.101 307 Q N -0.422 119.355 119.800 -0.040 0.000 2.252 307 Q HA 0.687 5.030 4.340 0.005 0.000 0.256 307 Q C -0.479 175.488 176.000 -0.055 0.000 1.020 307 Q CA -1.329 54.452 55.803 -0.038 0.000 0.913 307 Q CB 0.828 29.551 28.738 -0.025 0.000 1.286 307 Q HN 0.506 nan 8.270 nan 0.000 0.480 308 A N 1.573 124.368 122.820 -0.041 0.000 2.511 308 A HA 0.093 4.416 4.320 0.005 0.000 0.242 308 A C -0.036 177.534 177.584 -0.023 0.000 1.069 308 A CA -0.217 51.794 52.037 -0.043 0.000 0.763 308 A CB 0.123 19.142 19.000 0.032 0.000 1.001 308 A HN 0.564 nan 8.150 nan 0.000 0.498 309 Q N 1.019 120.778 119.800 -0.067 0.000 2.256 309 Q HA 0.347 4.691 4.340 0.005 0.000 0.232 309 Q C -2.325 173.805 176.000 0.216 0.000 0.965 309 Q CA -1.960 53.860 55.803 0.029 0.000 0.908 309 Q CB -0.239 28.462 28.738 -0.061 0.000 1.209 309 Q HN 0.460 nan 8.270 nan 0.000 0.489 310 P HA 0.002 nan 4.420 nan 0.000 0.264 310 P C -0.434 176.970 177.300 0.174 0.000 1.193 310 P CA 0.398 63.567 63.100 0.114 0.000 0.763 310 P CB 0.592 32.335 31.700 0.071 0.000 0.810 311 A N 3.640 126.455 122.820 -0.007 0.000 2.081 311 A HA 0.437 4.760 4.320 0.005 0.000 0.214 311 A C 1.197 178.726 177.584 -0.092 0.000 1.158 311 A CA 1.119 53.017 52.037 -0.230 0.000 0.724 311 A CB -1.072 17.502 19.000 -0.710 0.000 0.826 311 A HN 0.738 nan 8.150 nan 0.000 0.463 312 G N -0.321 108.452 108.800 -0.045 0.000 2.632 312 G HA2 -0.187 3.776 3.960 0.005 0.000 0.224 312 G HA3 -0.187 3.776 3.960 0.005 0.000 0.224 312 G C -0.367 174.517 174.900 -0.027 0.000 1.341 312 G CA -0.052 45.045 45.100 -0.006 0.000 0.880 312 G HN 0.733 nan 8.290 nan 0.000 0.566 313 D N 0.033 120.433 120.400 0.000 0.000 2.531 313 D HA 0.197 4.840 4.640 0.005 0.000 0.239 313 D C 1.614 177.916 176.300 0.004 0.000 1.144 313 D CA 0.999 54.997 54.000 -0.003 0.000 0.869 313 D CB 0.692 41.496 40.800 0.007 0.000 1.160 313 D HN 0.686 nan 8.370 nan 0.000 0.484 314 K N 3.338 123.724 120.400 -0.023 0.000 2.002 314 K HA -0.223 4.100 4.320 0.005 0.000 0.209 314 K C 1.800 178.420 176.600 0.033 0.000 1.048 314 K CA 1.315 57.587 56.287 -0.026 0.000 0.930 314 K CB -0.192 32.274 32.500 -0.056 0.000 0.714 314 K HN 0.543 nan 8.250 nan 0.000 0.438 315 A N 1.324 124.155 122.820 0.018 0.000 1.902 315 A HA -0.198 4.125 4.320 0.005 0.000 0.217 315 A C 1.866 179.474 177.584 0.041 0.000 1.181 315 A CA 1.815 53.869 52.037 0.028 0.000 0.623 315 A CB -0.518 18.488 19.000 0.010 0.000 0.818 315 A HN 0.529 nan 8.150 nan 0.000 0.443 316 E N -1.528 118.693 120.200 0.035 0.000 2.110 316 E HA -0.171 4.182 4.350 0.005 0.000 0.193 316 E C 1.732 178.353 176.600 0.034 0.000 0.988 316 E CA 1.258 57.669 56.400 0.018 0.000 0.804 316 E CB -0.252 29.455 29.700 0.012 0.000 0.745 316 E HN 0.736 nan 8.360 nan 0.000 0.458 317 F N 1.159 121.056 119.950 -0.089 0.000 2.113 317 F HA -0.147 4.383 4.527 0.006 0.000 0.297 317 F C 2.013 177.771 175.800 -0.068 0.000 1.103 317 F CA 1.204 59.133 58.000 -0.118 0.000 1.248 317 F CB 0.026 38.926 39.000 -0.167 0.000 0.999 317 F HN -0.091 nan 8.300 nan 0.000 0.475 318 I N 0.229 120.947 120.570 0.247 0.000 2.226 318 I HA -0.272 3.901 4.170 0.005 0.000 0.245 318 I C 2.330 178.528 176.117 0.135 0.000 1.100 318 I CA 1.664 63.100 61.300 0.227 0.000 1.374 318 I CB -0.474 37.634 38.000 0.180 0.000 1.057 318 I HN 0.185 nan 8.210 nan 0.000 0.413 319 E N 1.592 121.799 120.200 0.013 0.000 2.106 319 E HA -0.206 4.147 4.350 0.005 0.000 0.192 319 E C 2.036 178.472 176.600 -0.274 0.000 0.984 319 E CA 1.563 57.889 56.400 -0.124 0.000 0.806 319 E CB -0.027 29.604 29.700 -0.114 0.000 0.750 319 E HN 0.294 nan 8.360 nan 0.000 0.458 320 K N -0.343 119.897 120.400 -0.266 0.000 2.057 320 K HA -0.076 4.247 4.320 0.005 0.000 0.207 320 K C 2.128 178.488 176.600 -0.400 0.000 1.049 320 K CA 1.385 57.462 56.287 -0.350 0.000 0.931 320 K CB -0.138 32.153 32.500 -0.350 0.000 0.714 320 K HN 0.039 nan 8.250 nan 0.000 0.440 321 V N 1.493 121.190 119.914 -0.362 0.000 2.343 321 V HA -0.245 3.878 4.120 0.005 0.000 0.247 321 V C 2.417 178.268 176.094 -0.404 0.000 1.051 321 V CA 1.636 63.785 62.300 -0.251 0.000 1.036 321 V CB -0.536 31.287 31.823 0.000 0.000 0.654 321 V HN 0.324 nan 8.190 nan 0.000 0.451 322 R N 0.111 120.231 120.500 -0.633 0.000 2.083 322 R HA -0.185 4.158 4.340 0.005 0.000 0.237 322 R C 2.585 178.427 176.300 -0.764 0.000 1.137 322 R CA 1.835 57.199 56.100 -1.227 0.000 0.951 322 R CB -0.185 29.290 30.300 -1.374 0.000 0.851 322 R HN 0.438 nan 8.270 nan 0.000 0.434 323 R N -0.288 119.801 120.500 -0.685 0.000 2.081 323 R HA -0.084 4.259 4.340 0.005 0.000 0.235 323 R C 2.344 178.401 176.300 -0.405 0.000 1.131 323 R CA 1.357 57.025 56.100 -0.721 0.000 0.960 323 R CB -0.327 29.381 30.300 -0.987 0.000 0.856 323 R HN 0.269 nan 8.270 nan 0.000 0.436 324 A N 1.261 123.787 122.820 -0.490 0.000 1.902 324 A HA -0.162 4.161 4.320 0.005 0.000 0.217 324 A C 2.074 179.252 177.584 -0.676 0.000 1.181 324 A CA 1.080 52.737 52.037 -0.632 0.000 0.623 324 A CB -0.472 18.000 19.000 -0.879 0.000 0.818 324 A HN 0.232 nan 8.150 nan 0.000 0.443 325 L N -1.567 119.359 121.223 -0.495 0.000 2.017 325 L HA -0.154 4.189 4.340 0.005 0.000 0.208 325 L C 2.283 179.113 176.870 -0.066 0.000 1.073 325 L CA 2.339 57.087 54.840 -0.153 0.000 0.745 325 L CB -0.967 41.066 42.059 -0.043 0.000 0.894 325 L HN 0.536 nan 8.230 nan 0.000 0.432 326 Y N -1.209 118.953 120.300 -0.229 0.000 2.200 326 Y HA -0.264 4.289 4.550 0.005 0.000 0.290 326 Y C 2.409 178.260 175.900 -0.081 0.000 1.137 326 Y CA 1.584 59.597 58.100 -0.145 0.000 1.163 326 Y CB 0.035 38.477 38.460 -0.031 0.000 0.988 326 Y HN 0.305 nan 8.280 nan 0.000 0.518 327 L N 0.246 121.443 121.223 -0.043 0.000 2.141 327 L HA -0.000 4.343 4.340 0.005 0.000 0.209 327 L C 2.329 179.122 176.870 -0.129 0.000 1.094 327 L CA 2.126 56.896 54.840 -0.117 0.000 0.763 327 L CB -1.187 40.830 42.059 -0.071 0.000 0.908 327 L HN 0.262 nan 8.230 nan 0.000 0.437 328 G N -0.783 107.940 108.800 -0.129 0.000 2.418 328 G HA2 -0.249 3.714 3.960 0.005 0.000 0.217 328 G HA3 -0.249 3.714 3.960 0.005 0.000 0.217 328 G C 1.705 176.613 174.900 0.014 0.000 1.158 328 G CA 0.709 45.797 45.100 -0.021 0.000 0.771 328 G HN 0.386 nan 8.290 nan 0.000 0.545 329 K N -0.167 120.201 120.400 -0.054 0.000 2.057 329 K HA 0.044 4.367 4.320 0.005 0.000 0.207 329 K C 2.443 179.040 176.600 -0.006 0.000 1.049 329 K CA 0.836 57.089 56.287 -0.055 0.000 0.931 329 K CB -0.238 32.044 32.500 -0.363 0.000 0.714 329 K HN 0.319 nan 8.250 nan 0.000 0.440 330 I N 0.635 121.118 120.570 -0.145 0.000 2.208 330 I HA -0.298 3.875 4.170 0.005 0.000 0.245 330 I C 2.187 178.313 176.117 0.015 0.000 1.097 330 I CA 1.118 62.414 61.300 -0.007 0.000 1.363 330 I CB -0.246 37.712 38.000 -0.070 0.000 1.051 330 I HN -0.050 nan 8.210 nan 0.000 0.413 331 V N -0.267 119.657 119.914 0.018 0.000 2.343 331 V HA -0.296 3.827 4.120 0.005 0.000 0.247 331 V C 2.573 178.636 176.094 -0.052 0.000 1.051 331 V CA 2.166 64.476 62.300 0.017 0.000 1.036 331 V CB -0.495 31.368 31.823 0.066 0.000 0.654 331 V HN 0.454 nan 8.190 nan 0.000 0.451 332 S N -1.144 114.575 115.700 0.031 0.000 2.356 332 S HA -0.208 4.265 4.470 0.005 0.000 0.223 332 S C 1.968 176.589 174.600 0.036 0.000 1.032 332 S CA 1.694 59.895 58.200 0.002 0.000 1.005 332 S CB -0.362 62.872 63.200 0.057 0.000 0.867 332 S HN 0.615 nan 8.310 nan 0.000 0.449 333 Y N 1.614 121.932 120.300 0.030 0.000 2.293 333 Y HA 0.128 4.681 4.550 0.005 0.000 0.291 333 Y C 2.668 178.602 175.900 0.056 0.000 1.137 333 Y CA 0.577 58.752 58.100 0.125 0.000 1.202 333 Y CB -0.905 37.648 38.460 0.154 0.000 0.990 333 Y HN 0.358 nan 8.280 nan 0.000 0.537 334 A N -0.060 122.795 122.820 0.058 0.000 1.902 334 A HA -0.258 4.065 4.320 0.005 0.000 0.217 334 A C 2.109 179.672 177.584 -0.036 0.000 1.181 334 A CA 1.848 53.862 52.037 -0.037 0.000 0.623 334 A CB -0.633 18.322 19.000 -0.075 0.000 0.818 334 A HN 0.530 nan 8.150 nan 0.000 0.443 335 Q N -0.948 118.764 119.800 -0.146 0.000 2.119 335 Q HA -0.082 4.261 4.340 0.005 0.000 0.201 335 Q C 2.213 178.173 176.000 -0.066 0.000 0.972 335 Q CA 1.129 56.814 55.803 -0.197 0.000 0.847 335 Q CB -0.383 28.139 28.738 -0.360 0.000 0.903 335 Q HN 0.683 nan 8.270 nan 0.000 0.433 336 G N -0.186 108.599 108.800 -0.025 0.000 2.408 336 G HA2 -0.202 3.761 3.960 0.005 0.000 0.217 336 G HA3 -0.202 3.761 3.960 0.005 0.000 0.217 336 G C 0.999 175.895 174.900 -0.007 0.000 1.150 336 G CA 0.288 45.370 45.100 -0.031 0.000 0.776 336 G HN 0.192 nan 8.290 nan 0.000 0.542 337 F N 0.996 120.934 119.950 -0.021 0.000 2.293 337 F HA 0.070 4.600 4.527 0.005 0.000 0.297 337 F C 2.977 178.720 175.800 -0.095 0.000 1.089 337 F CA 1.111 59.101 58.000 -0.017 0.000 1.377 337 F CB -0.184 38.803 39.000 -0.021 0.000 1.051 337 F HN 0.197 nan 8.300 nan 0.000 0.511 338 S N -0.352 115.382 115.700 0.056 0.000 2.382 338 S HA -0.266 4.207 4.470 0.005 0.000 0.228 338 S C 2.142 176.739 174.600 -0.005 0.000 1.027 338 S CA 1.590 59.785 58.200 -0.008 0.000 0.991 338 S CB -0.362 62.842 63.200 0.006 0.000 0.823 338 S HN 0.546 nan 8.310 nan 0.000 0.469 339 Q N 0.161 119.970 119.800 0.015 0.000 2.084 339 Q HA -0.068 4.275 4.340 0.005 0.000 0.202 339 Q C 2.152 178.201 176.000 0.081 0.000 0.978 339 Q CA 1.564 57.399 55.803 0.053 0.000 0.844 339 Q CB -0.261 28.515 28.738 0.064 0.000 0.898 339 Q HN 0.592 nan 8.270 nan 0.000 0.426 340 L N 0.122 121.378 121.223 0.055 0.000 2.079 340 L HA -0.219 4.124 4.340 0.005 0.000 0.210 340 L C 2.669 179.645 176.870 0.176 0.000 1.081 340 L CA 1.459 56.378 54.840 0.131 0.000 0.752 340 L CB -0.345 41.764 42.059 0.085 0.000 0.896 340 L HN 0.222 nan 8.230 nan 0.000 0.433 341 R N -0.308 120.198 120.500 0.010 0.000 2.092 341 R HA -0.100 4.243 4.340 0.005 0.000 0.231 341 R C 2.416 178.729 176.300 0.021 0.000 1.119 341 R CA 1.239 57.339 56.100 0.000 0.000 0.970 341 R CB -0.455 29.729 30.300 -0.193 0.000 0.864 341 R HN 0.344 nan 8.270 nan 0.000 0.440 342 A N 1.239 124.051 122.820 -0.013 0.000 1.930 342 A HA -0.035 4.288 4.320 0.005 0.000 0.217 342 A C 2.336 179.839 177.584 -0.135 0.000 1.175 342 A CA 1.489 53.495 52.037 -0.052 0.000 0.627 342 A CB -0.454 18.534 19.000 -0.020 0.000 0.815 342 A HN 0.376 nan 8.150 nan 0.000 0.443 343 A N -0.869 121.880 122.820 -0.119 0.000 1.898 343 A HA -0.060 4.263 4.320 0.005 0.000 0.216 343 A C 2.454 179.851 177.584 -0.311 0.000 1.181 343 A CA 1.973 53.837 52.037 -0.289 0.000 0.620 343 A CB -0.927 17.723 19.000 -0.584 0.000 0.819 343 A HN 0.528 nan 8.150 nan 0.000 0.442 344 S N -0.548 115.128 115.700 -0.041 0.000 2.370 344 S HA -0.238 4.235 4.470 0.005 0.000 0.226 344 S C 2.047 176.564 174.600 -0.139 0.000 1.033 344 S CA 1.841 60.073 58.200 0.053 0.000 1.011 344 S CB -0.321 63.011 63.200 0.220 0.000 0.852 344 S HN 0.704 nan 8.310 nan 0.000 0.457 345 E N 0.112 120.229 120.200 -0.138 0.000 2.047 345 E HA -0.198 4.155 4.350 0.005 0.000 0.191 345 E C 2.022 178.431 176.600 -0.317 0.000 0.987 345 E CA 1.465 57.763 56.400 -0.170 0.000 0.799 345 E CB -0.307 29.327 29.700 -0.110 0.000 0.752 345 E HN 0.531 nan 8.360 nan 0.000 0.449 346 E N -0.421 119.484 120.200 -0.492 0.000 2.106 346 E HA -0.168 4.185 4.350 0.005 0.000 0.192 346 E C 0.893 176.945 176.600 -0.914 0.000 0.984 346 E CA 1.323 57.287 56.400 -0.726 0.000 0.806 346 E CB -0.147 28.937 29.700 -1.026 0.000 0.750 346 E HN 0.428 nan 8.360 nan 0.000 0.458 347 Y N 0.475 120.356 120.300 -0.699 0.000 2.485 347 Y HA 0.320 4.873 4.550 0.005 0.000 0.260 347 Y C -0.055 175.255 175.900 -0.984 0.000 1.173 347 Y CA -0.091 57.400 58.100 -1.014 0.000 1.252 347 Y CB -0.048 37.282 38.460 -1.884 0.000 1.123 347 Y HN -0.061 nan 8.280 nan 0.000 0.524 348 N N -0.543 117.842 118.700 -0.526 0.000 2.708 348 N HA -0.216 4.527 4.740 0.005 0.000 0.255 348 N C -0.281 175.187 175.510 -0.070 0.000 1.046 348 N CA 0.789 53.700 53.050 -0.232 0.000 0.715 348 N CB -1.419 36.987 38.487 -0.136 0.000 0.895 348 N HN 0.504 nan 8.380 nan 0.000 0.545 349 W N 0.066 121.347 121.300 -0.031 0.000 3.058 349 W HA 0.143 4.805 4.660 0.004 0.000 0.306 349 W C 1.020 177.484 176.519 -0.092 0.000 1.188 349 W CA 0.212 57.517 57.345 -0.068 0.000 1.651 349 W CB -0.216 29.175 29.460 -0.114 0.000 1.051 349 W HN 0.234 nan 8.180 nan 0.000 0.592 350 D N 1.274 121.751 120.400 0.128 0.000 2.697 350 D HA -0.198 4.445 4.640 0.005 0.000 0.235 350 D C 0.082 176.341 176.300 -0.068 0.000 1.167 350 D CA 0.485 54.509 54.000 0.039 0.000 0.656 350 D CB -1.106 39.718 40.800 0.040 0.000 1.025 350 D HN 0.014 nan 8.370 nan 0.000 0.419 351 L N 0.348 121.484 121.223 -0.145 0.000 2.483 351 L HA 0.066 4.409 4.340 0.005 0.000 0.276 351 L C 1.319 177.772 176.870 -0.694 0.000 1.213 351 L CA 0.145 54.734 54.840 -0.418 0.000 0.843 351 L CB 0.288 42.066 42.059 -0.468 0.000 1.107 351 L HN 0.240 nan 8.230 nan 0.000 0.487 352 N N 1.524 119.897 118.700 -0.544 0.000 2.546 352 N HA 0.104 4.847 4.740 0.005 0.000 0.238 352 N C 0.308 175.585 175.510 -0.388 0.000 0.984 352 N CA -0.256 52.550 53.050 -0.408 0.000 0.935 352 N CB 0.694 39.061 38.487 -0.200 0.000 1.122 352 N HN 0.353 nan 8.380 nan 0.000 0.510 353 Y N 1.694 122.034 120.300 0.065 0.000 2.293 353 Y HA 0.053 4.605 4.550 0.003 0.000 0.291 353 Y C 2.296 178.303 175.900 0.178 0.000 1.137 353 Y CA 1.254 59.458 58.100 0.172 0.000 1.202 353 Y CB -0.341 38.286 38.460 0.280 0.000 0.990 353 Y HN 0.575 nan 8.280 nan 0.000 0.537 354 G N -0.199 108.706 108.800 0.175 0.000 2.408 354 G HA2 -0.180 3.783 3.960 0.005 0.000 0.217 354 G HA3 -0.180 3.783 3.960 0.005 0.000 0.217 354 G C 1.480 176.398 174.900 0.031 0.000 1.150 354 G CA 0.738 45.895 45.100 0.096 0.000 0.776 354 G HN 0.403 nan 8.290 nan 0.000 0.542 355 E N -0.088 120.099 120.200 -0.022 0.000 2.106 355 E HA -0.016 4.337 4.350 0.005 0.000 0.192 355 E C 2.458 178.976 176.600 -0.136 0.000 0.984 355 E CA 0.314 56.670 56.400 -0.073 0.000 0.806 355 E CB -0.082 29.559 29.700 -0.098 0.000 0.750 355 E HN 0.468 nan 8.360 nan 0.000 0.458 356 I N 1.148 121.618 120.570 -0.166 0.000 2.179 356 I HA -0.268 3.905 4.170 0.005 0.000 0.242 356 I C 2.560 178.424 176.117 -0.422 0.000 1.088 356 I CA 0.995 62.078 61.300 -0.363 0.000 1.357 356 I CB -0.289 37.533 38.000 -0.297 0.000 1.051 356 I HN 0.071 nan 8.210 nan 0.000 0.409 357 A N 0.598 123.424 122.820 0.010 0.000 1.940 357 A HA -0.237 4.086 4.320 0.005 0.000 0.219 357 A C 2.293 179.914 177.584 0.061 0.000 1.176 357 A CA 1.652 53.782 52.037 0.155 0.000 0.631 357 A CB -0.465 18.621 19.000 0.142 0.000 0.814 357 A HN 0.336 nan 8.150 nan 0.000 0.446 358 K N -0.214 120.181 120.400 -0.008 0.000 2.097 358 K HA -0.096 4.227 4.320 0.005 0.000 0.206 358 K C 1.734 178.346 176.600 0.020 0.000 1.049 358 K CA 1.635 57.929 56.287 0.012 0.000 0.933 358 K CB -0.439 32.057 32.500 -0.007 0.000 0.717 358 K HN 0.820 nan 8.250 nan 0.000 0.442 359 I N -2.489 118.043 120.570 -0.063 0.000 3.291 359 I HA -0.045 4.128 4.170 0.005 0.000 0.279 359 I C 0.783 177.010 176.117 0.183 0.000 1.294 359 I CA 0.760 62.057 61.300 -0.005 0.000 1.428 359 I CB -0.091 37.859 38.000 -0.084 0.000 1.070 359 I HN -0.123 nan 8.210 nan 0.000 0.478 360 F N 1.760 121.788 119.950 0.130 0.000 2.765 360 F HA 0.297 4.827 4.527 0.006 0.000 0.302 360 F C 2.188 178.091 175.800 0.170 0.000 1.111 360 F CA -0.209 57.900 58.000 0.183 0.000 1.359 360 F CB -0.681 38.492 39.000 0.288 0.000 1.097 360 F HN 0.013 nan 8.300 nan 0.000 0.577 361 R N 0.243 120.916 120.500 0.289 0.000 2.237 361 R HA 0.236 4.579 4.340 0.005 0.000 0.219 361 R C 0.565 176.964 176.300 0.165 0.000 1.080 361 R CA 0.862 57.084 56.100 0.203 0.000 0.995 361 R CB 0.006 30.386 30.300 0.133 0.000 0.875 361 R HN 0.167 nan 8.270 nan 0.000 0.462 362 A N -2.204 120.707 122.820 0.151 0.000 2.599 362 A HA 0.567 4.890 4.320 0.005 0.000 0.290 362 A C 0.522 178.151 177.584 0.074 0.000 1.101 362 A CA -0.196 51.898 52.037 0.095 0.000 0.674 362 A CB 0.906 19.947 19.000 0.069 0.000 1.277 362 A HN 0.131 nan 8.150 nan 0.000 0.419 363 G N -1.065 107.742 108.800 0.012 0.000 3.078 363 G HA2 -0.273 3.690 3.960 0.005 0.000 0.227 363 G HA3 -0.273 3.690 3.960 0.005 0.000 0.227 363 G C 1.341 176.206 174.900 -0.058 0.000 1.306 363 G CA 1.140 46.225 45.100 -0.024 0.000 0.841 363 G HN 2.521 nan 8.290 nan 0.000 0.530 364 C N 1.117 120.416 119.300 -0.001 0.000 2.553 364 C HA 0.739 5.202 4.460 0.005 0.000 0.345 364 C C 2.182 177.191 174.990 0.032 0.000 1.369 364 C CA -0.408 58.590 59.018 -0.034 0.000 2.447 364 C CB -0.032 27.682 27.740 -0.044 0.000 2.358 364 C HN 0.440 nan 8.230 nan 0.000 0.676 365 I N 1.634 122.296 120.570 0.153 0.000 2.394 365 I HA -0.094 4.079 4.170 0.005 0.000 0.251 365 I C 2.136 178.422 176.117 0.282 0.000 1.136 365 I CA 1.574 63.003 61.300 0.216 0.000 1.425 365 I CB -0.999 37.167 38.000 0.277 0.000 1.079 365 I HN 0.825 nan 8.210 nan 0.000 0.425 366 I N 0.382 121.112 120.570 0.266 0.000 3.680 366 I HA 0.056 4.229 4.170 0.005 0.000 0.306 366 I C 1.123 177.403 176.117 0.271 0.000 1.260 366 I CA -0.373 61.044 61.300 0.195 0.000 1.201 366 I CB -0.645 37.374 38.000 0.031 0.000 1.009 366 I HN 0.118 nan 8.210 nan 0.000 0.467 367 R N 2.333 122.986 120.500 0.254 0.000 2.585 367 R HA 0.557 4.900 4.340 0.005 0.000 0.275 367 R C -0.424 176.034 176.300 0.263 0.000 1.018 367 R CA 0.387 56.635 56.100 0.247 0.000 1.072 367 R CB 0.145 30.546 30.300 0.167 0.000 0.953 367 R HN 0.343 nan 8.270 nan 0.000 0.419 368 A N 1.750 124.725 122.820 0.258 0.000 2.583 368 A HA 0.074 4.397 4.320 0.005 0.000 0.292 368 A C 0.204 177.930 177.584 0.238 0.000 1.045 368 A CA -0.544 51.644 52.037 0.252 0.000 0.672 368 A CB 1.438 20.610 19.000 0.286 0.000 1.283 368 A HN 0.883 nan 8.150 nan 0.000 0.419 369 Q N 0.089 120.016 119.800 0.212 0.000 2.181 369 Q HA -0.193 4.150 4.340 0.005 0.000 0.205 369 Q C 1.371 177.493 176.000 0.203 0.000 0.980 369 Q CA 2.415 58.320 55.803 0.170 0.000 0.862 369 Q CB -0.255 28.567 28.738 0.140 0.000 0.905 369 Q HN 0.899 nan 8.270 nan 0.000 0.429 370 F N 0.848 120.857 119.950 0.098 0.000 2.147 370 F HA -0.274 4.257 4.527 0.006 0.000 0.301 370 F C 1.670 177.496 175.800 0.043 0.000 1.084 370 F CA 1.102 59.158 58.000 0.093 0.000 1.268 370 F CB -0.237 38.801 39.000 0.064 0.000 1.009 370 F HN 0.151 nan 8.300 nan 0.000 0.486 371 L N 0.134 121.404 121.223 0.079 0.000 2.191 371 L HA -0.215 4.128 4.340 0.005 0.000 0.212 371 L C 2.323 179.159 176.870 -0.056 0.000 1.103 371 L CA 1.627 56.466 54.840 -0.002 0.000 0.769 371 L CB -1.612 40.575 42.059 0.214 0.000 0.908 371 L HN 0.323 nan 8.230 nan 0.000 0.438 372 Q N -0.052 119.727 119.800 -0.035 0.000 2.172 372 Q HA -0.152 4.191 4.340 0.005 0.000 0.200 372 Q C 2.054 177.965 176.000 -0.148 0.000 0.964 372 Q CA 1.312 57.077 55.803 -0.063 0.000 0.855 372 Q CB 0.154 28.868 28.738 -0.040 0.000 0.918 372 Q HN 0.158 nan 8.270 nan 0.000 0.444 373 K N 0.075 120.334 120.400 -0.235 0.000 2.097 373 K HA -0.031 4.292 4.320 0.005 0.000 0.205 373 K C 2.028 178.526 176.600 -0.170 0.000 1.050 373 K CA 1.051 57.112 56.287 -0.377 0.000 0.938 373 K CB -0.250 31.893 32.500 -0.596 0.000 0.718 373 K HN 0.360 nan 8.250 nan 0.000 0.442 374 I N 0.868 121.345 120.570 -0.155 0.000 2.252 374 I HA -0.224 3.949 4.170 0.005 0.000 0.245 374 I C 2.064 178.113 176.117 -0.113 0.000 1.102 374 I CA 1.145 62.350 61.300 -0.157 0.000 1.385 374 I CB -0.548 37.169 38.000 -0.473 0.000 1.064 374 I HN 0.103 nan 8.210 nan 0.000 0.414 375 T N 0.349 114.848 114.554 -0.092 0.000 2.684 375 T HA -0.200 4.153 4.350 0.005 0.000 0.267 375 T C 1.503 176.182 174.700 -0.034 0.000 1.036 375 T CA 1.710 63.788 62.100 -0.038 0.000 1.148 375 T CB -0.335 68.518 68.868 -0.024 0.000 0.863 375 T HN 0.309 nan 8.240 nan 0.000 0.436 376 D N 1.225 121.585 120.400 -0.067 0.000 2.123 376 D HA -0.034 4.609 4.640 0.005 0.000 0.196 376 D C 2.355 178.634 176.300 -0.035 0.000 0.992 376 D CA 1.310 55.270 54.000 -0.068 0.000 0.833 376 D CB -0.495 40.226 40.800 -0.130 0.000 0.954 376 D HN 0.423 nan 8.370 nan 0.000 0.455 377 A N 0.250 123.061 122.820 -0.014 0.000 1.898 377 A HA -0.160 4.163 4.320 0.005 0.000 0.216 377 A C 2.489 180.102 177.584 0.048 0.000 1.181 377 A CA 1.197 53.260 52.037 0.043 0.000 0.620 377 A CB -0.807 18.295 19.000 0.170 0.000 0.819 377 A HN 0.354 nan 8.150 nan 0.000 0.442 378 C N -1.042 118.282 119.300 0.040 0.000 2.446 378 C HA 0.192 4.655 4.460 0.005 0.000 0.279 378 C C 3.227 178.255 174.990 0.063 0.000 1.366 378 C CA 0.414 59.476 59.018 0.073 0.000 1.763 378 C CB -1.249 26.555 27.740 0.106 0.000 1.929 378 C HN 0.697 nan 8.230 nan 0.000 0.509 379 A N 0.394 123.235 122.820 0.035 0.000 1.898 379 A HA -0.206 4.117 4.320 0.005 0.000 0.216 379 A C 2.193 179.794 177.584 0.028 0.000 1.181 379 A CA 1.690 53.743 52.037 0.026 0.000 0.620 379 A CB -0.603 18.402 19.000 0.008 0.000 0.819 379 A HN 0.667 nan 8.150 nan 0.000 0.442 380 E N -0.715 119.499 120.200 0.024 0.000 2.106 380 E HA -0.170 4.183 4.350 0.005 0.000 0.192 380 E C -0.124 176.498 176.600 0.036 0.000 0.984 380 E CA 0.943 57.358 56.400 0.024 0.000 0.806 380 E CB 0.039 29.750 29.700 0.019 0.000 0.750 380 E HN 0.462 nan 8.360 nan 0.000 0.458 381 N N -0.498 118.232 118.700 0.049 0.000 2.675 381 N HA 0.166 4.909 4.740 0.005 0.000 0.254 381 N C -2.463 173.095 175.510 0.081 0.000 1.224 381 N CA -1.739 51.346 53.050 0.058 0.000 0.777 381 N CB 1.454 39.975 38.487 0.057 0.000 1.256 381 N HN -0.170 nan 8.380 nan 0.000 0.531 382 P HA -0.064 nan 4.420 nan 0.000 0.221 382 P C 0.213 177.622 177.300 0.183 0.000 1.145 382 P CA 1.222 64.404 63.100 0.136 0.000 0.795 382 P CB 0.393 32.156 31.700 0.104 0.000 0.775 383 Q N -1.033 118.841 119.800 0.123 0.000 2.182 383 Q HA 0.224 4.567 4.340 0.005 0.000 0.270 383 Q C 0.382 176.416 176.000 0.056 0.000 0.861 383 Q CA -0.627 55.244 55.803 0.112 0.000 1.098 383 Q CB -0.115 28.683 28.738 0.100 0.000 1.188 383 Q HN 0.357 nan 8.270 nan 0.000 0.464 384 I N 0.878 121.480 120.570 0.052 0.000 2.826 384 I HA -0.167 4.006 4.170 0.005 0.000 0.295 384 I C 1.164 177.286 176.117 0.009 0.000 1.213 384 I CA 0.236 61.560 61.300 0.039 0.000 1.436 384 I CB 0.923 38.954 38.000 0.051 0.000 1.348 384 I HN 0.246 nan 8.210 nan 0.000 0.570 385 A N 6.526 129.367 122.820 0.036 0.000 2.014 385 A HA -0.016 4.307 4.320 0.005 0.000 0.218 385 A C 0.843 178.450 177.584 0.039 0.000 1.163 385 A CA 0.919 52.979 52.037 0.037 0.000 0.652 385 A CB -0.193 18.857 19.000 0.082 0.000 0.808 385 A HN 0.828 nan 8.150 nan 0.000 0.449 386 N N -1.158 117.574 118.700 0.055 0.000 2.431 386 N HA 0.229 4.972 4.740 0.005 0.000 0.275 386 N C 0.050 175.568 175.510 0.013 0.000 1.091 386 N CA -0.414 52.645 53.050 0.014 0.000 0.922 386 N CB 0.996 39.486 38.487 0.006 0.000 1.666 386 N HN -0.001 nan 8.380 nan 0.000 0.484 387 L N 2.542 123.729 121.223 -0.061 0.000 2.261 387 L HA -0.082 4.261 4.340 0.005 0.000 0.216 387 L C 2.109 178.984 176.870 0.008 0.000 1.114 387 L CA 1.004 55.777 54.840 -0.112 0.000 0.777 387 L CB -0.100 41.691 42.059 -0.447 0.000 0.910 387 L HN 0.563 nan 8.230 nan 0.000 0.440 388 L N -0.502 120.738 121.223 0.027 0.000 2.265 388 L HA -0.211 4.132 4.340 0.005 0.000 0.215 388 L C 2.230 179.223 176.870 0.204 0.000 1.117 388 L CA 0.963 55.895 54.840 0.154 0.000 0.782 388 L CB -0.340 41.825 42.059 0.177 0.000 0.914 388 L HN 0.342 nan 8.230 nan 0.000 0.441 389 L N -0.467 120.863 121.223 0.179 0.000 2.395 389 L HA 0.073 4.416 4.340 0.005 0.000 0.218 389 L C 1.393 178.351 176.870 0.147 0.000 1.130 389 L CA -0.370 54.563 54.840 0.155 0.000 0.826 389 L CB -0.525 41.614 42.059 0.133 0.000 0.941 389 L HN 0.119 nan 8.230 nan 0.000 0.451 390 A N 0.401 123.341 122.820 0.201 0.000 2.425 390 A HA 0.261 4.585 4.320 0.005 0.000 0.249 390 A C -1.463 176.201 177.584 0.134 0.000 1.084 390 A CA -1.063 51.085 52.037 0.185 0.000 0.781 390 A CB 0.141 19.315 19.000 0.290 0.000 1.019 390 A HN -0.037 nan 8.150 nan 0.000 0.490 391 P HA -0.259 nan 4.420 nan 0.000 0.217 391 P C 1.239 178.525 177.300 -0.024 0.000 1.158 391 P CA 1.884 64.999 63.100 0.025 0.000 0.887 391 P CB -0.094 31.617 31.700 0.018 0.000 0.792 392 Y N -0.832 119.343 120.300 -0.208 0.000 2.145 392 Y HA -0.213 4.339 4.550 0.004 0.000 0.286 392 Y C 1.989 177.675 175.900 -0.355 0.000 1.145 392 Y CA 1.583 59.472 58.100 -0.353 0.000 1.148 392 Y CB -0.997 37.105 38.460 -0.596 0.000 0.981 392 Y HN -0.174 nan 8.280 nan 0.000 0.507 393 F N 0.632 120.543 119.950 -0.065 0.000 2.186 393 F HA -0.083 4.446 4.527 0.004 0.000 0.299 393 F C 2.223 177.937 175.800 -0.144 0.000 1.090 393 F CA 1.446 59.356 58.000 -0.149 0.000 1.307 393 F CB -0.655 38.344 39.000 -0.001 0.000 1.019 393 F HN -0.053 nan 8.300 nan 0.000 0.489 394 K N -0.207 120.239 120.400 0.078 0.000 2.097 394 K HA -0.236 4.087 4.320 0.005 0.000 0.206 394 K C 2.077 178.650 176.600 -0.046 0.000 1.049 394 K CA 1.463 57.787 56.287 0.061 0.000 0.933 394 K CB -0.327 32.213 32.500 0.066 0.000 0.717 394 K HN 0.157 nan 8.250 nan 0.000 0.442 395 Q N 1.223 120.938 119.800 -0.142 0.000 2.084 395 Q HA -0.102 4.241 4.340 0.005 0.000 0.202 395 Q C 1.924 177.746 176.000 -0.298 0.000 0.978 395 Q CA 1.337 57.023 55.803 -0.196 0.000 0.844 395 Q CB -0.025 28.580 28.738 -0.223 0.000 0.898 395 Q HN 0.173 nan 8.270 nan 0.000 0.426 396 I N 0.334 120.635 120.570 -0.449 0.000 2.226 396 I HA -0.219 3.954 4.170 0.005 0.000 0.245 396 I C 2.123 178.007 176.117 -0.388 0.000 1.100 396 I CA 1.419 62.371 61.300 -0.580 0.000 1.374 396 I CB -1.673 35.983 38.000 -0.574 0.000 1.057 396 I HN 0.286 nan 8.210 nan 0.000 0.413 397 A N 0.465 123.151 122.820 -0.223 0.000 1.933 397 A HA -0.274 4.049 4.320 0.005 0.000 0.218 397 A C 2.114 179.598 177.584 -0.167 0.000 1.175 397 A CA 2.131 54.038 52.037 -0.217 0.000 0.628 397 A CB -0.777 18.140 19.000 -0.138 0.000 0.814 397 A HN 0.438 nan 8.150 nan 0.000 0.444 398 D N -0.323 120.022 120.400 -0.091 0.000 2.117 398 D HA -0.140 4.503 4.640 0.005 0.000 0.197 398 D C 1.204 177.478 176.300 -0.044 0.000 0.987 398 D CA 1.546 55.523 54.000 -0.038 0.000 0.829 398 D CB -0.074 40.710 40.800 -0.026 0.000 0.961 398 D HN 0.365 nan 8.370 nan 0.000 0.460 399 D N -1.145 119.207 120.400 -0.081 0.000 2.194 399 D HA -0.093 4.550 4.640 0.005 0.000 0.204 399 D C 1.075 177.504 176.300 0.215 0.000 0.964 399 D CA 0.732 54.739 54.000 0.013 0.000 0.846 399 D CB -0.033 40.736 40.800 -0.052 0.000 0.962 399 D HN 0.380 nan 8.370 nan 0.000 0.490 400 Y N 1.120 121.349 120.300 -0.119 0.000 2.449 400 Y HA 0.099 4.653 4.550 0.006 0.000 0.254 400 Y C 2.180 177.974 175.900 -0.176 0.000 1.140 400 Y CA -0.201 57.814 58.100 -0.141 0.000 1.272 400 Y CB -0.323 38.057 38.460 -0.132 0.000 1.114 400 Y HN 0.096 nan 8.280 nan 0.000 0.525 401 Q N -0.255 119.520 119.800 -0.042 0.000 2.124 401 Q HA -0.258 4.085 4.340 0.005 0.000 0.202 401 Q C 1.781 177.730 176.000 -0.084 0.000 0.977 401 Q CA 1.713 57.433 55.803 -0.138 0.000 0.850 401 Q CB -0.271 28.323 28.738 -0.240 0.000 0.901 401 Q HN 0.233 nan 8.270 nan 0.000 0.429 402 Q N 1.237 121.009 119.800 -0.047 0.000 2.124 402 Q HA -0.089 4.254 4.340 0.005 0.000 0.202 402 Q C 2.057 178.013 176.000 -0.074 0.000 0.977 402 Q CA 2.059 57.837 55.803 -0.042 0.000 0.850 402 Q CB -0.536 28.188 28.738 -0.023 0.000 0.901 402 Q HN 0.528 nan 8.270 nan 0.000 0.429 403 A N 0.064 122.818 122.820 -0.110 0.000 1.902 403 A HA -0.142 4.181 4.320 0.005 0.000 0.217 403 A C 1.997 179.467 177.584 -0.191 0.000 1.181 403 A CA 1.471 53.403 52.037 -0.175 0.000 0.623 403 A CB -0.868 17.974 19.000 -0.263 0.000 0.818 403 A HN 0.482 nan 8.150 nan 0.000 0.443 404 L N -0.106 121.003 121.223 -0.190 0.000 2.046 404 L HA -0.142 4.201 4.340 0.005 0.000 0.208 404 L C 2.412 179.217 176.870 -0.108 0.000 1.077 404 L CA 2.014 56.727 54.840 -0.212 0.000 0.747 404 L CB -0.530 41.402 42.059 -0.211 0.000 0.896 404 L HN 0.351 nan 8.230 nan 0.000 0.432 405 R N -0.470 119.992 120.500 -0.065 0.000 2.081 405 R HA -0.136 4.207 4.340 0.005 0.000 0.235 405 R C 1.933 178.234 176.300 0.002 0.000 1.131 405 R CA 1.480 57.574 56.100 -0.011 0.000 0.960 405 R CB -0.527 29.774 30.300 0.001 0.000 0.856 405 R HN 0.412 nan 8.270 nan 0.000 0.436 406 D N 0.085 120.470 120.400 -0.025 0.000 2.117 406 D HA -0.116 4.527 4.640 0.005 0.000 0.197 406 D C 1.938 178.251 176.300 0.021 0.000 0.987 406 D CA 0.960 54.958 54.000 -0.004 0.000 0.829 406 D CB -0.167 40.605 40.800 -0.047 0.000 0.961 406 D HN -0.016 nan 8.370 nan 0.000 0.460 407 V N 0.419 120.307 119.914 -0.044 0.000 2.307 407 V HA -0.191 3.933 4.120 0.005 0.000 0.245 407 V C 2.602 178.787 176.094 0.152 0.000 1.045 407 V CA 0.990 63.287 62.300 -0.004 0.000 1.024 407 V CB -0.333 31.425 31.823 -0.108 0.000 0.651 407 V HN 0.061 nan 8.190 nan 0.000 0.449 408 V N 0.246 120.234 119.914 0.124 0.000 2.343 408 V HA -0.256 3.867 4.120 0.005 0.000 0.247 408 V C 2.689 178.856 176.094 0.121 0.000 1.051 408 V CA 2.038 64.428 62.300 0.151 0.000 1.036 408 V CB -1.077 30.822 31.823 0.126 0.000 0.654 408 V HN 0.564 nan 8.190 nan 0.000 0.451 409 A N -0.943 121.939 122.820 0.103 0.000 1.902 409 A HA -0.279 4.044 4.320 0.005 0.000 0.217 409 A C 2.163 179.806 177.584 0.098 0.000 1.181 409 A CA 2.112 54.201 52.037 0.087 0.000 0.623 409 A CB -0.801 18.246 19.000 0.077 0.000 0.818 409 A HN 0.670 nan 8.150 nan 0.000 0.443 410 Y N 0.609 120.944 120.300 0.058 0.000 2.181 410 Y HA -0.107 4.446 4.550 0.005 0.000 0.288 410 Y C 2.597 178.556 175.900 0.099 0.000 1.146 410 Y CA 1.429 59.584 58.100 0.092 0.000 1.164 410 Y CB -0.422 38.117 38.460 0.133 0.000 0.982 410 Y HN 0.311 nan 8.280 nan 0.000 0.515 411 A N -0.504 122.382 122.820 0.111 0.000 1.877 411 A HA -0.153 4.170 4.320 0.005 0.000 0.216 411 A C 2.315 179.864 177.584 -0.058 0.000 1.186 411 A CA 2.007 54.069 52.037 0.040 0.000 0.620 411 A CB -1.336 17.756 19.000 0.153 0.000 0.822 411 A HN 0.345 nan 8.150 nan 0.000 0.443 412 V N 0.172 120.077 119.914 -0.015 0.000 2.343 412 V HA -0.245 3.878 4.120 0.005 0.000 0.247 412 V C 2.614 178.668 176.094 -0.067 0.000 1.051 412 V CA 1.992 64.279 62.300 -0.022 0.000 1.036 412 V CB -0.703 31.128 31.823 0.012 0.000 0.654 412 V HN 0.552 nan 8.190 nan 0.000 0.451 413 Q N -0.190 119.547 119.800 -0.106 0.000 2.297 413 Q HA -0.051 4.292 4.340 0.005 0.000 0.204 413 Q C 1.764 177.655 176.000 -0.180 0.000 0.962 413 Q CA 0.829 56.558 55.803 -0.123 0.000 0.879 413 Q CB -0.365 28.305 28.738 -0.114 0.000 0.947 413 Q HN 0.686 nan 8.270 nan 0.000 0.462 414 N N -0.578 117.953 118.700 -0.281 0.000 2.353 414 N HA 0.030 4.773 4.740 0.005 0.000 0.185 414 N C 0.803 176.229 175.510 -0.141 0.000 1.098 414 N CA 0.826 53.709 53.050 -0.278 0.000 0.872 414 N CB 1.037 39.215 38.487 -0.514 0.000 0.970 414 N HN 0.334 nan 8.380 nan 0.000 0.467 415 G N 1.540 110.281 108.800 -0.099 0.000 2.143 415 G HA2 -0.260 3.703 3.960 0.005 0.000 0.249 415 G HA3 -0.260 3.703 3.960 0.005 0.000 0.249 415 G C 0.017 174.894 174.900 -0.038 0.000 0.981 415 G CA -0.201 44.866 45.100 -0.055 0.000 0.665 415 G HN 0.300 nan 8.290 nan 0.000 0.528 416 I N 2.857 123.407 120.570 -0.034 0.000 2.312 416 I HA 0.276 4.449 4.170 0.005 0.000 0.291 416 I C -1.609 174.508 176.117 -0.001 0.000 1.031 416 I CA -2.248 59.050 61.300 -0.005 0.000 1.293 416 I CB 1.297 39.322 38.000 0.042 0.000 1.403 416 I HN -0.081 nan 8.210 nan 0.000 0.484 417 P HA 0.047 nan 4.420 nan 0.000 0.271 417 P C -0.358 176.925 177.300 -0.029 0.000 1.220 417 P CA -0.013 63.081 63.100 -0.011 0.000 0.768 417 P CB 1.035 32.729 31.700 -0.011 0.000 0.848 418 V N 1.430 121.334 119.914 -0.016 0.000 2.405 418 V HA 0.251 4.374 4.120 0.005 0.000 0.253 418 V C -1.812 174.276 176.094 -0.009 0.000 0.963 418 V CA -1.723 60.537 62.300 -0.065 0.000 1.003 418 V CB 1.098 32.920 31.823 -0.003 0.000 1.251 418 V HN 0.281 nan 8.190 nan 0.000 0.520 419 P HA -0.142 nan 4.420 nan 0.000 0.216 419 P C 1.614 178.949 177.300 0.058 0.000 1.153 419 P CA 2.548 65.669 63.100 0.036 0.000 0.848 419 P CB 0.108 31.833 31.700 0.041 0.000 0.787 420 T N -4.284 110.285 114.554 0.025 0.000 2.942 420 T HA -0.027 4.326 4.350 0.005 0.000 0.265 420 T C 1.770 176.612 174.700 0.236 0.000 1.062 420 T CA 0.513 62.668 62.100 0.091 0.000 1.139 420 T CB -1.033 67.877 68.868 0.071 0.000 0.883 420 T HN -0.197 nan 8.240 nan 0.000 0.468 421 F N 2.473 122.452 119.950 0.049 0.000 2.171 421 F HA 0.098 4.629 4.527 0.005 0.000 0.300 421 F C 2.918 178.750 175.800 0.052 0.000 1.090 421 F CA -0.063 57.963 58.000 0.043 0.000 1.293 421 F CB -1.327 37.697 39.000 0.038 0.000 1.013 421 F HN 0.199 nan 8.300 nan 0.000 0.486 422 S N 0.202 116.046 115.700 0.241 0.000 2.356 422 S HA -0.162 4.311 4.470 0.005 0.000 0.223 422 S C 2.395 177.087 174.600 0.155 0.000 1.032 422 S CA 1.164 59.462 58.200 0.164 0.000 1.005 422 S CB -0.685 62.587 63.200 0.121 0.000 0.867 422 S HN 0.338 nan 8.310 nan 0.000 0.449 423 A N 1.496 124.404 122.820 0.147 0.000 1.933 423 A HA 0.072 4.396 4.320 0.005 0.000 0.218 423 A C 2.330 180.016 177.584 0.170 0.000 1.175 423 A CA 1.743 53.864 52.037 0.141 0.000 0.628 423 A CB -1.029 18.032 19.000 0.102 0.000 0.814 423 A HN 0.518 nan 8.150 nan 0.000 0.444 424 A N -0.615 122.306 122.820 0.169 0.000 1.902 424 A HA -0.005 4.318 4.320 0.005 0.000 0.217 424 A C 2.221 179.937 177.584 0.221 0.000 1.181 424 A CA 1.800 53.943 52.037 0.176 0.000 0.623 424 A CB -0.860 18.216 19.000 0.126 0.000 0.818 424 A HN 0.389 nan 8.150 nan 0.000 0.443 425 V N -0.270 119.749 119.914 0.176 0.000 2.358 425 V HA -0.203 3.920 4.120 0.005 0.000 0.246 425 V C 3.028 179.251 176.094 0.216 0.000 1.047 425 V CA 1.812 64.219 62.300 0.179 0.000 1.035 425 V CB -1.112 30.786 31.823 0.125 0.000 0.658 425 V HN 0.609 nan 8.190 nan 0.000 0.452 426 A N -0.977 121.959 122.820 0.192 0.000 1.933 426 A HA -0.254 4.069 4.320 0.005 0.000 0.218 426 A C 2.149 179.858 177.584 0.208 0.000 1.175 426 A CA 1.997 54.138 52.037 0.173 0.000 0.628 426 A CB -0.692 18.399 19.000 0.151 0.000 0.814 426 A HN 0.652 nan 8.150 nan 0.000 0.444 427 Y N -1.459 118.916 120.300 0.125 0.000 2.163 427 Y HA -0.220 4.333 4.550 0.005 0.000 0.288 427 Y C 2.218 178.213 175.900 0.158 0.000 1.136 427 Y CA 1.944 60.116 58.100 0.120 0.000 1.147 427 Y CB -0.640 37.876 38.460 0.093 0.000 0.987 427 Y HN 0.399 nan 8.280 nan 0.000 0.509 428 Y N 1.191 121.579 120.300 0.148 0.000 2.165 428 Y HA -0.255 4.298 4.550 0.005 0.000 0.286 428 Y C 1.966 177.871 175.900 0.008 0.000 1.155 428 Y CA 2.293 60.426 58.100 0.055 0.000 1.164 428 Y CB -0.481 38.041 38.460 0.103 0.000 0.978 428 Y HN 0.177 nan 8.280 nan 0.000 0.513 429 D N -1.207 119.239 120.400 0.076 0.000 2.277 429 D HA -0.082 4.561 4.640 0.005 0.000 0.208 429 D C 2.170 178.422 176.300 -0.080 0.000 0.962 429 D CA 1.167 55.159 54.000 -0.013 0.000 0.865 429 D CB 0.075 40.926 40.800 0.085 0.000 0.939 429 D HN 0.315 nan 8.370 nan 0.000 0.510 430 S N -0.361 115.296 115.700 -0.072 0.000 2.388 430 S HA -0.094 4.379 4.470 0.005 0.000 0.223 430 S C 1.743 176.252 174.600 -0.152 0.000 1.034 430 S CA 0.029 58.179 58.200 -0.083 0.000 0.963 430 S CB -0.099 63.085 63.200 -0.026 0.000 0.827 430 S HN 0.280 nan 8.310 nan 0.000 0.481 431 Y N 3.431 123.480 120.300 -0.418 0.000 2.242 431 Y HA -0.085 4.467 4.550 0.004 0.000 0.291 431 Y C 2.228 177.934 175.900 -0.324 0.000 1.137 431 Y CA 1.448 59.284 58.100 -0.440 0.000 1.181 431 Y CB -0.113 37.929 38.460 -0.696 0.000 0.989 431 Y HN 0.191 nan 8.280 nan 0.000 0.527 432 R N 0.180 120.471 120.500 -0.349 0.000 2.313 432 R HA 0.346 4.689 4.340 0.005 0.000 0.199 432 R C 0.280 176.428 176.300 -0.254 0.000 0.958 432 R CA 0.517 56.407 56.100 -0.351 0.000 1.047 432 R CB -0.286 29.771 30.300 -0.406 0.000 0.955 432 R HN 0.177 nan 8.270 nan 0.000 0.481 433 A N 1.146 123.837 122.820 -0.215 0.000 2.310 433 A HA 0.577 4.900 4.320 0.005 0.000 0.300 433 A C 1.115 178.614 177.584 -0.141 0.000 1.269 433 A CA -0.049 51.901 52.037 -0.144 0.000 0.909 433 A CB 0.867 19.807 19.000 -0.100 0.000 1.144 433 A HN 0.404 nan 8.150 nan 0.000 0.540 434 A N 2.903 125.652 122.820 -0.119 0.000 2.015 434 A HA 0.267 4.590 4.320 0.005 0.000 0.219 434 A C 0.781 178.319 177.584 -0.078 0.000 1.163 434 A CA 1.401 53.375 52.037 -0.105 0.000 0.646 434 A CB -0.057 18.893 19.000 -0.083 0.000 0.806 434 A HN 0.877 nan 8.150 nan 0.000 0.448 435 V N 0.432 120.308 119.914 -0.063 0.000 2.531 435 V HA 0.462 4.585 4.120 0.005 0.000 0.301 435 V C -0.413 175.656 176.094 -0.041 0.000 1.034 435 V CA -0.446 61.827 62.300 -0.045 0.000 0.865 435 V CB 1.564 33.365 31.823 -0.035 0.000 0.995 435 V HN 0.369 nan 8.190 nan 0.000 0.424 436 L N 5.801 127.004 121.223 -0.033 0.000 2.304 436 L HA 0.591 4.934 4.340 0.005 0.000 0.268 436 L C -1.372 175.489 176.870 -0.016 0.000 1.010 436 L CA -1.683 53.143 54.840 -0.023 0.000 0.813 436 L CB 2.495 44.542 42.059 -0.020 0.000 1.315 436 L HN 0.437 nan 8.230 nan 0.000 0.445 437 P HA 0.017 nan 4.420 nan 0.000 0.256 437 P C 0.528 177.821 177.300 -0.011 0.000 1.335 437 P CA 0.206 63.299 63.100 -0.011 0.000 0.808 437 P CB 0.331 32.026 31.700 -0.008 0.000 1.305 438 A N 1.726 124.542 122.820 -0.006 0.000 2.121 438 A HA -0.160 4.163 4.320 0.005 0.000 0.218 438 A C 2.112 179.690 177.584 -0.010 0.000 1.154 438 A CA 1.104 53.140 52.037 -0.003 0.000 0.679 438 A CB -1.019 17.985 19.000 0.007 0.000 0.795 438 A HN 0.329 nan 8.150 nan 0.000 0.458 439 N N 0.677 119.367 118.700 -0.016 0.000 2.104 439 N HA -0.188 4.555 4.740 0.005 0.000 0.190 439 N C 1.517 176.997 175.510 -0.050 0.000 1.024 439 N CA 1.761 54.794 53.050 -0.028 0.000 0.853 439 N CB -0.782 37.687 38.487 -0.030 0.000 1.008 439 N HN 0.396 nan 8.380 nan 0.000 0.424 440 L N 0.817 122.011 121.223 -0.049 0.000 2.093 440 L HA 0.121 4.464 4.340 0.005 0.000 0.208 440 L C 2.297 179.115 176.870 -0.086 0.000 1.085 440 L CA 1.031 55.827 54.840 -0.072 0.000 0.755 440 L CB -0.488 41.537 42.059 -0.056 0.000 0.904 440 L HN 0.113 nan 8.230 nan 0.000 0.435 441 I N -0.858 119.682 120.570 -0.050 0.000 2.226 441 I HA -0.280 3.893 4.170 0.005 0.000 0.245 441 I C 2.455 178.533 176.117 -0.066 0.000 1.100 441 I CA 0.962 62.238 61.300 -0.040 0.000 1.374 441 I CB -0.396 37.599 38.000 -0.008 0.000 1.057 441 I HN 0.364 nan 8.210 nan 0.000 0.413 442 Q N 0.537 120.311 119.800 -0.042 0.000 2.079 442 Q HA -0.143 4.200 4.340 0.005 0.000 0.200 442 Q C 2.466 178.441 176.000 -0.042 0.000 0.974 442 Q CA 1.767 57.567 55.803 -0.006 0.000 0.840 442 Q CB -0.436 28.334 28.738 0.053 0.000 0.898 442 Q HN 0.563 nan 8.270 nan 0.000 0.430 443 A N 1.046 123.789 122.820 -0.128 0.000 1.883 443 A HA -0.259 4.064 4.320 0.005 0.000 0.217 443 A C 2.115 179.432 177.584 -0.444 0.000 1.186 443 A CA 1.748 53.627 52.037 -0.264 0.000 0.624 443 A CB -0.569 18.241 19.000 -0.315 0.000 0.822 443 A HN 0.401 nan 8.150 nan 0.000 0.444 444 Q N -0.796 118.793 119.800 -0.352 0.000 2.084 444 Q HA -0.162 4.181 4.340 0.005 0.000 0.202 444 Q C 2.366 177.966 176.000 -0.666 0.000 0.978 444 Q CA 1.648 57.228 55.803 -0.372 0.000 0.844 444 Q CB -0.186 28.468 28.738 -0.140 0.000 0.898 444 Q HN 0.623 nan 8.270 nan 0.000 0.426 445 R N 0.327 120.467 120.500 -0.600 0.000 2.096 445 R HA -0.158 4.185 4.340 0.005 0.000 0.235 445 R C 1.757 177.843 176.300 -0.356 0.000 1.127 445 R CA 1.504 57.147 56.100 -0.761 0.000 0.968 445 R CB -0.170 29.967 30.300 -0.272 0.000 0.861 445 R HN 0.267 nan 8.270 nan 0.000 0.440 446 D N -0.312 120.048 120.400 -0.067 0.000 2.183 446 D HA -0.163 4.480 4.640 0.005 0.000 0.203 446 D C 1.623 178.052 176.300 0.215 0.000 0.969 446 D CA 0.809 54.970 54.000 0.268 0.000 0.842 446 D CB 0.021 41.232 40.800 0.685 0.000 0.957 446 D HN 0.239 nan 8.370 nan 0.000 0.484 447 Y N -0.201 119.884 120.300 -0.358 0.000 2.133 447 Y HA -0.206 4.347 4.550 0.005 0.000 0.287 447 Y C 1.850 177.747 175.900 -0.006 0.000 1.134 447 Y CA 2.024 59.897 58.100 -0.379 0.000 1.133 447 Y CB -0.261 37.755 38.460 -0.740 0.000 0.987 447 Y HN 0.106 nan 8.280 nan 0.000 0.502 448 F N -1.683 118.449 119.950 0.303 0.000 2.473 448 F HA 0.376 4.906 4.527 0.005 0.000 0.294 448 F C 1.762 177.649 175.800 0.145 0.000 1.103 448 F CA 0.821 58.963 58.000 0.236 0.000 1.442 448 F CB -0.891 38.202 39.000 0.156 0.000 1.097 448 F HN -0.098 nan 8.300 nan 0.000 0.547 449 G N -0.923 107.987 108.800 0.184 0.000 3.596 449 G HA2 0.418 4.381 3.960 0.005 0.000 0.274 449 G HA3 0.418 4.381 3.960 0.005 0.000 0.274 449 G C 0.841 175.559 174.900 -0.304 0.000 1.007 449 G CA -0.063 45.055 45.100 0.029 0.000 0.825 449 G HN 0.798 nan 8.290 nan 0.000 0.508 450 A N 0.585 123.358 122.820 -0.079 0.000 2.745 450 A HA -0.239 4.085 4.320 0.005 0.000 0.296 450 A C 1.258 178.727 177.584 -0.192 0.000 1.500 450 A CA 1.088 53.047 52.037 -0.130 0.000 0.766 450 A CB -2.381 16.384 19.000 -0.391 0.000 1.030 450 A HN 0.562 nan 8.150 nan 0.000 0.489 451 H N 0.241 119.340 119.070 0.049 0.000 2.555 451 H HA 0.086 4.645 4.556 0.005 0.000 0.269 451 H C 1.451 176.821 175.328 0.070 0.000 0.988 451 H CA 2.202 58.272 56.048 0.037 0.000 1.178 451 H CB -0.202 29.572 29.762 0.020 0.000 1.373 451 H HN 1.623 nan 8.280 nan 0.000 0.588 452 T N -1.252 113.449 114.554 0.245 0.000 0.541 452 T HA -0.211 4.142 4.350 0.005 0.000 0.774 452 T C -0.626 174.229 174.700 0.259 0.000 0.992 452 T CA 0.483 62.694 62.100 0.185 0.000 4.077 452 T CB -1.430 67.456 68.868 0.031 0.000 2.303 452 T HN 0.572 nan 8.240 nan 0.000 0.398 453 Y N -1.258 119.184 120.300 0.236 0.000 2.625 453 Y HA 0.850 5.403 4.550 0.005 0.000 0.338 453 Y C -0.341 175.716 175.900 0.263 0.000 1.123 453 Y CA -1.664 56.562 58.100 0.210 0.000 1.046 453 Y CB 1.283 39.868 38.460 0.208 0.000 1.299 453 Y HN 0.907 nan 8.280 nan 0.000 0.464 454 K N 1.594 122.235 120.400 0.401 0.000 2.106 454 K HA 0.642 4.965 4.320 0.005 0.000 0.246 454 K C -0.826 175.997 176.600 0.371 0.000 0.987 454 K CA -1.064 55.434 56.287 0.351 0.000 0.904 454 K CB 1.600 34.226 32.500 0.211 0.000 1.071 454 K HN 0.695 nan 8.250 nan 0.000 0.453 455 R N 0.870 121.512 120.500 0.238 0.000 2.832 455 R HA 0.326 4.669 4.340 0.005 0.000 0.271 455 R C 1.200 177.530 176.300 0.051 0.000 0.996 455 R CA -0.512 55.632 56.100 0.074 0.000 0.977 455 R CB 1.080 31.265 30.300 -0.190 0.000 1.168 455 R HN 0.675 nan 8.270 nan 0.000 0.482 456 I N -1.842 118.735 120.570 0.012 0.000 3.419 456 I HA 0.059 4.232 4.170 0.005 0.000 0.286 456 I C 0.438 176.555 176.117 -0.001 0.000 1.268 456 I CA 0.760 62.066 61.300 0.010 0.000 1.414 456 I CB 0.001 37.999 38.000 -0.003 0.000 1.074 456 I HN 0.530 nan 8.210 nan 0.000 0.457 457 D N 0.612 120.999 120.400 -0.021 0.000 2.441 457 D HA 0.177 4.820 4.640 0.005 0.000 0.210 457 D C 0.240 176.536 176.300 -0.006 0.000 1.102 457 D CA -0.010 53.978 54.000 -0.021 0.000 0.840 457 D CB 0.313 41.089 40.800 -0.041 0.000 0.990 457 D HN 0.385 nan 8.370 nan 0.000 0.505 458 K N -0.271 120.135 120.400 0.011 0.000 2.512 458 K HA 0.437 4.760 4.320 0.005 0.000 0.263 458 K C -0.971 175.736 176.600 0.178 0.000 0.966 458 K CA -0.800 55.539 56.287 0.087 0.000 0.851 458 K CB 2.682 35.246 32.500 0.107 0.000 1.395 458 K HN -0.138 nan 8.250 nan 0.000 0.440 459 E N 0.046 120.357 120.200 0.185 0.000 2.280 459 E HA 0.580 4.933 4.350 0.005 0.000 0.264 459 E C -0.156 176.561 176.600 0.195 0.000 1.064 459 E CA 0.206 56.703 56.400 0.161 0.000 0.900 459 E CB 1.252 30.999 29.700 0.079 0.000 1.123 459 E HN 0.727 nan 8.360 nan 0.000 0.418 460 G N -0.165 108.687 108.800 0.088 0.000 2.525 460 G HA2 -0.095 3.868 3.960 0.005 0.000 0.685 460 G HA3 -0.095 3.868 3.960 0.005 0.000 0.685 460 G C -1.375 173.412 174.900 -0.188 0.000 1.290 460 G CA -0.484 44.542 45.100 -0.125 0.000 0.915 460 G HN 0.796 nan 8.290 nan 0.000 0.548 461 V N 0.057 119.710 119.914 -0.435 0.000 2.513 461 V HA 0.910 5.033 4.120 0.005 0.000 0.299 461 V C -0.631 175.033 176.094 -0.716 0.000 1.035 461 V CA -0.917 61.182 62.300 -0.335 0.000 0.889 461 V CB 1.049 32.758 31.823 -0.189 0.000 0.988 461 V HN 0.982 nan 8.190 nan 0.000 0.440 462 F N 4.804 124.527 119.950 -0.379 0.000 2.593 462 F HA 0.682 5.212 4.527 0.004 0.000 0.320 462 F C -0.267 175.188 175.800 -0.574 0.000 1.060 462 F CA -0.595 57.104 58.000 -0.501 0.000 0.940 462 F CB 1.899 40.486 39.000 -0.690 0.000 1.268 462 F HN 0.752 nan 8.300 nan 0.000 0.475 463 H N -0.443 118.502 119.070 -0.209 0.000 2.759 463 H HA 0.574 5.133 4.556 0.005 0.000 0.354 463 H C -1.441 173.891 175.328 0.006 0.000 1.074 463 H CA -0.466 55.552 56.048 -0.051 0.000 1.226 463 H CB 1.841 31.589 29.762 -0.022 0.000 1.648 463 H HN 0.542 nan 8.280 nan 0.000 0.529 464 T N 4.813 119.031 114.554 -0.560 0.000 2.823 464 T HA 0.207 4.560 4.350 0.005 0.000 0.279 464 T C -0.624 173.538 174.700 -0.897 0.000 0.998 464 T CA -0.937 60.721 62.100 -0.737 0.000 0.994 464 T CB 0.920 69.143 68.868 -1.076 0.000 0.960 464 T HN 0.511 nan 8.240 nan 0.000 0.448 465 E N 3.140 123.005 120.200 -0.559 0.000 1.941 465 E HA 0.104 4.457 4.350 0.005 0.000 0.275 465 E C -0.464 175.962 176.600 -0.291 0.000 1.113 465 E CA -0.133 56.087 56.400 -0.299 0.000 0.878 465 E CB 0.423 30.032 29.700 -0.152 0.000 1.070 465 E HN 0.536 nan 8.360 nan 0.000 0.399 466 W N 0.000 121.133 121.300 -0.279 0.000 2.388 466 W HA 0.000 4.663 4.660 0.005 0.000 0.303 466 W CA 0.000 57.169 57.345 -0.293 0.000 1.226 466 W CB 0.000 29.141 29.460 -0.532 0.000 1.126 466 W HN 0.000 nan 8.180 nan 0.000 0.535