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 3ehk_1_E DATA FIRST_RESID 10 DATA SEQUENCE NQcQLNQLQA REPDNRIQAE AGQIETWNFN QGDFQcAGVA ASRITIQRNG DATA SEQUENCE LHLPSYSNAP QLIYIVQGRG VLGAVFSGcP ETFEESQXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXLDR HQKTRRIREG DVVAIPAGVA YWSYNDGDQE LVAVNLFHVS DATA SEQUENCE SDHNQLDQNP RKFYLAGNPE NEFNQQGQXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXGN NVFSGFNTQL LAQALNVNEE TARNLQGQND NRNQIIQVRG DATA SEQUENCE NLDFVQPPRX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXL EETFcSLRLK DATA SEQUENCE ENIGNPERAD IFSPRAGRIS TLNSHNLPIL RFLRLSAERG FFYRNGIYSP DATA SEQUENCE HWNVNAHSVV YVIRGNARVQ VVNENGDAIL DQEVQQGQLF IVPQNHGVIQ DATA SEQUENCE QAGNQGFEYF AFKTEENAFI NTLAGRTSFL RALPDEVLAN AYQISREQAR DATA SEQUENCE QLKYNRQETI ALSS 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 10 N HA 0.000 nan 4.740 nan 0.000 0.220 10 N C 0.000 175.529 175.510 0.031 0.000 1.280 10 N CA 0.000 53.065 53.050 0.025 0.000 0.885 10 N CB 0.000 38.503 38.487 0.027 0.000 1.341 11 Q N 0.289 120.110 119.800 0.035 0.000 2.028 11 Q HA -0.239 4.101 4.340 -0.000 0.000 0.215 11 Q C 1.225 177.249 176.000 0.039 0.000 1.041 11 Q CA 2.733 58.559 55.803 0.039 0.000 0.897 11 Q CB -0.429 28.337 28.738 0.047 0.000 1.017 11 Q HN 0.597 nan 8.270 nan 0.000 0.418 12 c N 0.584 119.215 118.600 0.052 0.000 2.673 12 c HA 0.092 4.662 4.570 -0.000 0.000 0.274 12 c C 1.189 175.321 174.090 0.070 0.000 1.276 12 c CA -0.414 55.950 56.329 0.058 0.000 1.701 12 c CB -0.575 41.993 42.510 0.097 0.000 1.836 12 c HN 0.392 nan 8.230 nan 0.000 0.596 13 Q N 1.673 121.505 119.800 0.054 0.000 2.307 13 Q HA 0.075 4.415 4.340 -0.000 0.000 0.216 13 Q C 0.377 176.404 176.000 0.045 0.000 0.931 13 Q CA 0.161 55.993 55.803 0.049 0.000 0.953 13 Q CB -0.202 28.555 28.738 0.031 0.000 1.006 13 Q HN 0.788 nan 8.270 nan 0.000 0.472 14 L N -2.251 119.001 121.223 0.047 0.000 2.525 14 L HA 0.035 4.375 4.340 -0.000 0.000 0.278 14 L C 0.769 177.664 176.870 0.041 0.000 1.218 14 L CA -0.056 54.806 54.840 0.037 0.000 0.878 14 L CB 0.318 42.393 42.059 0.026 0.000 1.127 14 L HN -0.180 nan 8.230 nan 0.000 0.492 15 N N 0.489 119.207 118.700 0.030 0.000 2.258 15 N HA 0.001 4.741 4.740 -0.000 0.000 0.183 15 N C -0.202 175.322 175.510 0.023 0.000 1.029 15 N CA 0.949 54.014 53.050 0.025 0.000 0.857 15 N CB 0.220 38.717 38.487 0.017 0.000 1.008 15 N HN 0.754 nan 8.380 nan 0.000 0.433 16 Q N 0.332 120.145 119.800 0.022 0.000 2.342 16 Q HA 0.474 4.814 4.340 -0.000 0.000 0.267 16 Q C -0.963 175.053 176.000 0.025 0.000 1.038 16 Q CA -0.404 55.411 55.803 0.019 0.000 0.832 16 Q CB 2.769 31.517 28.738 0.016 0.000 1.323 16 Q HN 0.119 nan 8.270 nan 0.000 0.448 17 L N 1.781 123.017 121.223 0.022 0.000 2.370 17 L HA 0.569 4.909 4.340 -0.000 0.000 0.266 17 L C -0.603 176.285 176.870 0.030 0.000 1.002 17 L CA -0.627 54.231 54.840 0.031 0.000 0.818 17 L CB 2.404 44.478 42.059 0.024 0.000 1.325 17 L HN 0.696 nan 8.230 nan 0.000 0.418 18 Q N 2.315 122.151 119.800 0.059 0.000 2.386 18 Q HA 0.660 5.000 4.340 -0.000 0.000 0.274 18 Q C -2.032 174.035 176.000 0.112 0.000 1.011 18 Q CA -0.786 55.051 55.803 0.057 0.000 0.867 18 Q CB 2.272 31.042 28.738 0.053 0.000 1.409 18 Q HN 0.694 nan 8.270 nan 0.000 0.395 19 A N 2.945 125.825 122.820 0.099 0.000 2.328 19 A HA 0.769 5.089 4.320 -0.000 0.000 0.284 19 A C -0.754 176.953 177.584 0.205 0.000 1.160 19 A CA -0.388 51.759 52.037 0.183 0.000 0.818 19 A CB 0.382 19.470 19.000 0.147 0.000 1.087 19 A HN 0.779 nan 8.150 nan 0.000 0.504 20 R N 1.307 121.992 120.500 0.308 0.000 2.869 20 R HA 0.583 4.923 4.340 -0.000 0.000 0.263 20 R C -0.696 175.949 176.300 0.575 0.000 1.066 20 R CA -0.939 55.374 56.100 0.356 0.000 0.960 20 R CB 0.806 31.304 30.300 0.330 0.000 1.221 20 R HN 0.660 nan 8.270 nan 0.000 0.474 21 E N 0.863 121.312 120.200 0.414 0.000 2.359 21 E HA 0.307 4.657 4.350 -0.000 0.000 0.255 21 E C -2.211 174.408 176.600 0.032 0.000 1.191 21 E CA -1.891 54.712 56.400 0.339 0.000 0.952 21 E CB 0.038 29.815 29.700 0.128 0.000 1.152 21 E HN 0.258 nan 8.360 nan 0.000 0.496 22 P HA 0.022 nan 4.420 nan 0.000 0.269 22 P C -0.085 176.943 177.300 -0.452 0.000 1.209 22 P CA 0.218 62.609 63.100 -1.182 0.000 0.776 22 P CB 0.445 31.519 31.700 -1.044 0.000 0.876 23 D N 0.627 120.832 120.400 -0.325 0.000 2.348 23 D HA 0.042 4.682 4.640 -0.000 0.000 0.211 23 D C 0.458 176.674 176.300 -0.139 0.000 0.998 23 D CA 0.963 54.876 54.000 -0.146 0.000 0.873 23 D CB 0.328 41.080 40.800 -0.080 0.000 0.925 23 D HN 0.376 nan 8.370 nan 0.000 0.524 24 N N 0.448 119.042 118.700 -0.177 0.000 3.470 24 N HA 0.537 5.277 4.740 -0.000 0.000 0.361 24 N C -0.358 175.064 175.510 -0.147 0.000 1.536 24 N CA -0.443 52.525 53.050 -0.137 0.000 0.642 24 N CB 1.914 40.333 38.487 -0.115 0.000 2.002 24 N HN -0.106 nan 8.380 nan 0.000 0.620 25 R N 0.115 120.539 120.500 -0.127 0.000 5.088 25 R HA 0.258 4.598 4.340 -0.000 0.000 0.249 25 R C -2.135 174.104 176.300 -0.102 0.000 0.938 25 R CA -0.359 55.670 56.100 -0.119 0.000 1.284 25 R CB -0.254 29.984 30.300 -0.104 0.000 1.230 25 R HN 0.614 nan 8.270 nan 0.000 0.675 26 I N 0.633 121.141 120.570 -0.103 0.000 2.644 26 I HA 0.507 4.677 4.170 -0.000 0.000 0.291 26 I C -0.951 175.112 176.117 -0.090 0.000 1.180 26 I CA -1.033 60.209 61.300 -0.095 0.000 1.040 26 I CB 2.435 40.370 38.000 -0.108 0.000 1.255 26 I HN 0.446 nan 8.210 nan 0.000 0.422 27 Q N 4.067 123.821 119.800 -0.077 0.000 2.260 27 Q HA 0.782 5.122 4.340 -0.000 0.000 0.242 27 Q C -0.415 175.540 176.000 -0.075 0.000 0.932 27 Q CA -0.460 55.301 55.803 -0.069 0.000 0.891 27 Q CB 2.100 30.805 28.738 -0.056 0.000 1.222 27 Q HN 0.897 nan 8.270 nan 0.000 0.453 28 A N 0.595 123.373 122.820 -0.069 0.000 2.515 28 A HA 0.293 4.613 4.320 -0.000 0.000 0.296 28 A C 0.773 178.328 177.584 -0.049 0.000 1.094 28 A CA -0.411 51.584 52.037 -0.069 0.000 0.718 28 A CB 1.187 20.137 19.000 -0.083 0.000 1.307 28 A HN 0.859 nan 8.150 nan 0.000 0.408 29 E N 0.771 120.946 120.200 -0.042 0.000 2.136 29 E HA -0.217 4.133 4.350 -0.000 0.000 0.202 29 E C 0.781 177.370 176.600 -0.019 0.000 1.019 29 E CA 2.023 58.407 56.400 -0.027 0.000 0.819 29 E CB -0.049 29.639 29.700 -0.021 0.000 0.739 29 E HN 0.858 nan 8.360 nan 0.000 0.458 30 A N 0.269 123.079 122.820 -0.017 0.000 3.204 30 A HA 0.602 4.922 4.320 -0.000 0.000 0.327 30 A C 0.062 177.633 177.584 -0.021 0.000 0.998 30 A CA 0.160 52.192 52.037 -0.009 0.000 0.891 30 A CB 0.454 19.462 19.000 0.014 0.000 1.061 30 A HN 0.455 nan 8.150 nan 0.000 0.478 31 G N 0.194 108.974 108.800 -0.033 0.000 2.384 31 G HA2 0.361 4.321 3.960 -0.000 0.000 0.668 31 G HA3 0.361 4.321 3.960 -0.000 0.000 0.668 31 G C -1.007 173.858 174.900 -0.059 0.000 1.280 31 G CA -0.172 44.903 45.100 -0.042 0.000 0.992 31 G HN 1.528 nan 8.290 nan 0.000 0.512 32 Q N -1.000 118.760 119.800 -0.067 0.000 2.553 32 Q HA 0.763 5.103 4.340 -0.000 0.000 0.293 32 Q C -1.546 174.396 176.000 -0.096 0.000 1.038 32 Q CA -1.051 54.703 55.803 -0.083 0.000 0.777 32 Q CB 2.160 30.854 28.738 -0.073 0.000 1.487 32 Q HN 0.956 nan 8.270 nan 0.000 0.426 33 I N 1.286 121.790 120.570 -0.110 0.000 2.436 33 I HA 0.363 4.533 4.170 -0.000 0.000 0.289 33 I C -0.780 175.262 176.117 -0.126 0.000 1.010 33 I CA -0.650 60.582 61.300 -0.113 0.000 1.098 33 I CB 2.181 40.103 38.000 -0.130 0.000 1.266 33 I HN 0.598 nan 8.210 nan 0.000 0.434 34 E N 4.170 124.292 120.200 -0.130 0.000 2.171 34 E HA 0.472 4.822 4.350 -0.000 0.000 0.271 34 E C -0.584 175.890 176.600 -0.210 0.000 0.916 34 E CA -0.728 55.554 56.400 -0.196 0.000 0.774 34 E CB 2.265 31.818 29.700 -0.245 0.000 1.128 34 E HN 0.621 nan 8.360 nan 0.000 0.403 35 T N -0.585 113.845 114.554 -0.207 0.000 2.932 35 T HA 0.438 4.788 4.350 -0.000 0.000 0.289 35 T C -0.845 173.800 174.700 -0.092 0.000 1.039 35 T CA -0.812 61.256 62.100 -0.052 0.000 1.024 35 T CB 0.989 69.840 68.868 -0.028 0.000 1.090 35 T HN 0.406 nan 8.240 nan 0.000 0.496 36 W N 2.281 123.666 121.300 0.140 0.000 2.478 36 W HA 0.370 5.030 4.660 -0.000 0.000 0.318 36 W C 0.396 176.790 176.519 -0.208 0.000 1.062 36 W CA -0.878 56.457 57.345 -0.017 0.000 1.210 36 W CB 1.480 30.992 29.460 0.086 0.000 1.325 36 W HN 0.704 nan 8.180 nan 0.000 0.496 37 N N 3.092 121.725 118.700 -0.112 0.000 2.411 37 N HA -0.095 4.645 4.740 -0.000 0.000 0.261 37 N C 0.507 175.690 175.510 -0.546 0.000 1.248 37 N CA 0.402 53.264 53.050 -0.314 0.000 0.885 37 N CB 0.432 38.747 38.487 -0.287 0.000 1.062 37 N HN 0.304 nan 8.380 nan 0.000 0.471 38 F N 1.687 121.479 119.950 -0.264 0.000 2.773 38 F HA 0.326 4.853 4.527 -0.000 0.000 0.304 38 F C 1.339 177.090 175.800 -0.082 0.000 1.129 38 F CA -0.472 57.394 58.000 -0.223 0.000 1.378 38 F CB -0.096 38.847 39.000 -0.094 0.000 1.095 38 F HN 0.296 nan 8.300 nan 0.000 0.565 39 N N 0.252 118.739 118.700 -0.355 0.000 2.368 39 N HA -0.042 4.698 4.740 -0.000 0.000 0.176 39 N C 0.416 175.886 175.510 -0.067 0.000 1.021 39 N CA 0.234 53.169 53.050 -0.191 0.000 0.888 39 N CB -0.077 38.239 38.487 -0.285 0.000 0.995 39 N HN 0.459 nan 8.380 nan 0.000 0.437 40 Q N 0.432 120.190 119.800 -0.071 0.000 2.304 40 Q HA -0.036 4.304 4.340 -0.000 0.000 0.315 40 Q C 1.237 177.285 176.000 0.080 0.000 1.075 40 Q CA 0.244 56.059 55.803 0.019 0.000 0.988 40 Q CB 0.320 29.097 28.738 0.065 0.000 1.146 40 Q HN 0.297 nan 8.270 nan 0.000 0.383 41 G N 3.349 112.183 108.800 0.056 0.000 2.532 41 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.222 41 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.222 41 G C 0.969 175.910 174.900 0.070 0.000 1.102 41 G CA 0.905 46.037 45.100 0.054 0.000 0.742 41 G HN 0.707 nan 8.290 nan 0.000 0.577 42 D N 0.356 120.823 120.400 0.112 0.000 2.119 42 D HA -0.125 4.515 4.640 -0.000 0.000 0.199 42 D C 2.267 178.641 176.300 0.123 0.000 0.987 42 D CA 0.768 54.842 54.000 0.123 0.000 0.858 42 D CB -0.452 40.486 40.800 0.230 0.000 1.008 42 D HN 0.297 nan 8.370 nan 0.000 0.450 43 F N 1.183 121.122 119.950 -0.018 0.000 2.027 43 F HA -0.271 4.256 4.527 -0.000 0.000 0.297 43 F C 2.951 178.739 175.800 -0.019 0.000 1.129 43 F CA 1.605 59.600 58.000 -0.009 0.000 1.195 43 F CB -0.459 38.580 39.000 0.065 0.000 0.960 43 F HN 0.101 nan 8.300 nan 0.000 0.485 44 Q N -0.500 119.438 119.800 0.231 0.000 2.065 44 Q HA -0.403 3.937 4.340 -0.000 0.000 0.213 44 Q C 2.448 178.475 176.000 0.046 0.000 1.012 44 Q CA 2.387 58.268 55.803 0.129 0.000 0.876 44 Q CB -1.363 27.435 28.738 0.100 0.000 0.954 44 Q HN 0.679 nan 8.270 nan 0.000 0.413 45 c N 0.326 118.924 118.600 -0.003 0.000 2.396 45 c HA -0.163 4.407 4.570 -0.000 0.000 0.277 45 c C 2.680 176.632 174.090 -0.231 0.000 1.231 45 c CA 1.372 57.660 56.329 -0.068 0.000 1.775 45 c CB -1.047 41.412 42.510 -0.085 0.000 2.036 45 c HN 0.563 nan 8.230 nan 0.000 0.484 46 A N -0.961 121.634 122.820 -0.374 0.000 2.178 46 A HA 0.434 4.754 4.320 -0.000 0.000 0.211 46 A C 1.933 179.470 177.584 -0.079 0.000 1.157 46 A CA 1.412 53.077 52.037 -0.620 0.000 0.780 46 A CB -1.013 17.653 19.000 -0.557 0.000 0.828 46 A HN 1.842 nan 8.150 nan 0.000 0.476 47 G N -0.814 108.005 108.800 0.031 0.000 2.221 47 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.265 47 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.265 47 G C 0.073 175.109 174.900 0.226 0.000 1.041 47 G CA 0.430 45.620 45.100 0.150 0.000 0.807 47 G HN 0.905 nan 8.290 nan 0.000 0.502 48 V N -0.866 119.145 119.914 0.161 0.000 3.019 48 V HA 1.003 5.123 4.120 -0.000 0.000 0.317 48 V C 0.470 176.739 176.094 0.290 0.000 1.094 48 V CA -0.349 62.047 62.300 0.160 0.000 1.000 48 V CB 1.985 33.801 31.823 -0.013 0.000 1.060 48 V HN 1.555 nan 8.190 nan 0.000 0.443 49 A N 1.075 124.067 122.820 0.286 0.000 2.574 49 A HA 0.994 5.314 4.320 -0.000 0.000 0.297 49 A C -0.801 177.104 177.584 0.535 0.000 1.062 49 A CA -0.090 52.220 52.037 0.455 0.000 0.686 49 A CB 1.861 20.804 19.000 -0.095 0.000 1.285 49 A HN 1.800 nan 8.150 nan 0.000 0.403 50 A N 0.646 123.934 122.820 0.780 0.000 2.539 50 A HA 0.972 5.292 4.320 -0.000 0.000 0.296 50 A C -0.283 177.882 177.584 0.968 0.000 1.073 50 A CA 0.122 52.595 52.037 0.726 0.000 0.700 50 A CB 1.468 20.682 19.000 0.357 0.000 1.296 50 A HN 2.442 nan 8.150 nan 0.000 0.405 51 S N 0.535 116.710 115.700 0.791 0.000 2.607 51 S HA 0.805 5.275 4.470 -0.000 0.000 0.273 51 S C -0.858 173.967 174.600 0.377 0.000 1.148 51 S CA -0.806 57.710 58.200 0.527 0.000 0.833 51 S CB 1.810 65.215 63.200 0.343 0.000 1.130 51 S HN 0.985 nan 8.310 nan 0.000 0.470 52 R N 1.819 122.407 120.500 0.146 0.000 2.412 52 R HA 0.469 4.809 4.340 -0.000 0.000 0.304 52 R C -0.935 175.371 176.300 0.009 0.000 1.066 52 R CA -0.656 55.489 56.100 0.074 0.000 0.923 52 R CB 0.428 30.746 30.300 0.029 0.000 1.156 52 R HN 0.717 nan 8.270 nan 0.000 0.513 53 I N 3.387 123.970 120.570 0.022 0.000 2.474 53 I HA 0.232 4.402 4.170 -0.000 0.000 0.287 53 I C 0.011 176.116 176.117 -0.019 0.000 1.048 53 I CA -0.134 61.156 61.300 -0.017 0.000 1.383 53 I CB 1.548 39.545 38.000 -0.005 0.000 1.412 53 I HN 0.561 nan 8.210 nan 0.000 0.531 54 T N 7.111 121.642 114.554 -0.038 0.000 2.890 54 T HA 0.570 4.920 4.350 -0.000 0.000 0.295 54 T C -0.081 174.598 174.700 -0.034 0.000 0.993 54 T CA -0.326 61.759 62.100 -0.025 0.000 0.979 54 T CB 1.261 70.116 68.868 -0.021 0.000 0.967 54 T HN 0.269 nan 8.240 nan 0.000 0.441 55 I N 3.352 123.909 120.570 -0.023 0.000 2.339 55 I HA 0.278 4.448 4.170 -0.000 0.000 0.290 55 I C 0.582 176.681 176.117 -0.030 0.000 0.994 55 I CA -0.878 60.409 61.300 -0.022 0.000 1.191 55 I CB 1.530 39.532 38.000 0.003 0.000 1.343 55 I HN 0.451 nan 8.210 nan 0.000 0.458 56 Q N 5.701 125.484 119.800 -0.029 0.000 2.421 56 Q HA 0.207 4.547 4.340 -0.000 0.000 0.255 56 Q C -0.063 175.906 176.000 -0.052 0.000 1.013 56 Q CA -0.600 55.184 55.803 -0.031 0.000 0.895 56 Q CB 0.635 29.360 28.738 -0.021 0.000 1.271 56 Q HN 0.542 nan 8.270 nan 0.000 0.460 57 R N 1.506 121.973 120.500 -0.054 0.000 2.619 57 R HA -0.173 4.167 4.340 -0.000 0.000 0.268 57 R C -0.170 176.078 176.300 -0.087 0.000 0.990 57 R CA 0.654 56.704 56.100 -0.083 0.000 1.092 57 R CB -0.187 30.082 30.300 -0.051 0.000 0.935 57 R HN 0.861 nan 8.270 nan 0.000 0.415 58 N N -0.720 117.874 118.700 -0.176 0.000 2.828 58 N HA -0.151 4.589 4.740 -0.000 0.000 0.248 58 N C -0.237 175.285 175.510 0.021 0.000 1.044 58 N CA 0.635 53.635 53.050 -0.083 0.000 0.851 58 N CB -0.568 37.952 38.487 0.055 0.000 1.136 58 N HN 0.897 nan 8.380 nan 0.000 0.572 59 G N 0.715 109.463 108.800 -0.086 0.000 2.372 59 G HA2 0.522 4.482 3.960 -0.000 0.000 0.283 59 G HA3 0.522 4.482 3.960 -0.000 0.000 0.283 59 G C -0.559 174.462 174.900 0.201 0.000 1.177 59 G CA -0.343 44.788 45.100 0.052 0.000 0.842 59 G HN 0.141 nan 8.290 nan 0.000 0.503 60 L N 2.372 123.780 121.223 0.307 0.000 2.343 60 L HA 0.413 4.753 4.340 -0.000 0.000 0.278 60 L C -0.007 177.043 176.870 0.300 0.000 0.996 60 L CA -0.918 54.163 54.840 0.401 0.000 0.831 60 L CB 1.247 43.480 42.059 0.289 0.000 1.232 60 L HN 0.713 nan 8.230 nan 0.000 0.413 61 H N 5.736 124.931 119.070 0.208 0.000 2.944 61 H HA 0.302 4.858 4.556 -0.000 0.000 0.278 61 H C -0.411 175.006 175.328 0.150 0.000 1.083 61 H CA -0.896 55.239 56.048 0.144 0.000 1.479 61 H CB 0.614 30.448 29.762 0.122 0.000 1.486 61 H HN 0.666 nan 8.280 nan 0.000 0.493 62 L N 7.843 129.280 121.223 0.357 0.000 2.525 62 L HA 0.036 4.376 4.340 -0.000 0.000 0.278 62 L C -1.713 175.226 176.870 0.115 0.000 1.218 62 L CA -1.657 53.312 54.840 0.214 0.000 0.878 62 L CB 0.188 42.376 42.059 0.216 0.000 1.127 62 L HN 0.624 nan 8.230 nan 0.000 0.492 63 P HA 0.004 nan 4.420 nan 0.000 0.262 63 P C -0.721 176.523 177.300 -0.093 0.000 1.182 63 P CA 0.107 63.200 63.100 -0.012 0.000 0.761 63 P CB 0.919 32.684 31.700 0.109 0.000 0.795 64 S N 2.374 117.902 115.700 -0.287 0.000 2.688 64 S HA 0.830 5.300 4.470 -0.000 0.000 0.275 64 S C -1.267 173.315 174.600 -0.031 0.000 1.175 64 S CA -0.746 57.229 58.200 -0.374 0.000 0.818 64 S CB 1.589 64.195 63.200 -0.990 0.000 1.157 64 S HN 0.622 nan 8.310 nan 0.000 0.482 65 Y N -1.557 118.724 120.300 -0.032 0.000 2.565 65 Y HA 0.821 5.371 4.550 -0.000 0.000 0.330 65 Y C -0.934 175.096 175.900 0.217 0.000 1.150 65 Y CA -0.657 57.512 58.100 0.114 0.000 1.055 65 Y CB 0.942 39.433 38.460 0.050 0.000 1.337 65 Y HN 1.058 nan 8.280 nan 0.000 0.457 66 S N 1.623 117.580 115.700 0.428 0.000 2.566 66 S HA 0.327 4.797 4.470 -0.000 0.000 0.298 66 S C 0.337 175.148 174.600 0.351 0.000 1.083 66 S CA -0.401 58.041 58.200 0.404 0.000 0.978 66 S CB 1.006 64.438 63.200 0.387 0.000 1.073 66 S HN 0.972 nan 8.310 nan 0.000 0.491 67 N N 2.046 120.934 118.700 0.314 0.000 2.585 67 N HA 0.018 4.758 4.740 -0.000 0.000 0.188 67 N C 0.314 175.918 175.510 0.157 0.000 1.102 67 N CA 0.625 53.795 53.050 0.199 0.000 0.920 67 N CB -0.443 38.157 38.487 0.190 0.000 0.963 67 N HN 0.638 nan 8.380 nan 0.000 0.447 68 A N 1.312 124.254 122.820 0.203 0.000 2.350 68 A HA 0.595 4.915 4.320 -0.000 0.000 0.324 68 A C -2.609 175.125 177.584 0.249 0.000 1.118 68 A CA -1.762 50.402 52.037 0.211 0.000 0.783 68 A CB 1.688 20.819 19.000 0.218 0.000 1.236 68 A HN 0.048 nan 8.150 nan 0.000 0.457 69 P HA 0.299 nan 4.420 nan 0.000 0.274 69 P C -1.291 176.090 177.300 0.134 0.000 1.231 69 P CA -0.001 63.183 63.100 0.141 0.000 0.790 69 P CB 0.974 32.756 31.700 0.137 0.000 0.951 70 Q N 1.132 120.930 119.800 -0.002 0.000 2.379 70 Q HA 0.640 4.980 4.340 -0.000 0.000 0.278 70 Q C -1.578 174.379 176.000 -0.072 0.000 1.068 70 Q CA -1.078 54.615 55.803 -0.183 0.000 0.816 70 Q CB 1.682 29.992 28.738 -0.714 0.000 1.387 70 Q HN 0.319 nan 8.270 nan 0.000 0.413 71 L N 2.755 124.006 121.223 0.046 0.000 2.317 71 L HA 0.598 4.938 4.340 -0.000 0.000 0.281 71 L C -0.648 176.207 176.870 -0.025 0.000 1.024 71 L CA -0.989 53.944 54.840 0.154 0.000 0.810 71 L CB 1.574 43.951 42.059 0.529 0.000 1.240 71 L HN 0.630 nan 8.230 nan 0.000 0.427 72 I N 3.124 123.643 120.570 -0.085 0.000 2.382 72 I HA 0.214 4.384 4.170 -0.000 0.000 0.286 72 I C -1.085 174.892 176.117 -0.233 0.000 1.002 72 I CA -0.641 60.553 61.300 -0.177 0.000 1.135 72 I CB 1.547 39.429 38.000 -0.197 0.000 1.288 72 I HN 0.441 nan 8.210 nan 0.000 0.448 73 Y N 7.708 127.684 120.300 -0.540 0.000 2.335 73 Y HA 0.516 5.066 4.550 -0.000 0.000 0.339 73 Y C -0.251 175.413 175.900 -0.393 0.000 0.987 73 Y CA -0.547 57.135 58.100 -0.697 0.000 1.140 73 Y CB 0.927 38.405 38.460 -1.636 0.000 1.173 73 Y HN 0.401 nan 8.280 nan 0.000 0.486 74 I N 7.961 127.975 120.570 -0.928 0.000 2.322 74 I HA 0.022 4.192 4.170 -0.000 0.000 0.292 74 I C 0.739 176.458 176.117 -0.664 0.000 1.060 74 I CA -0.194 60.751 61.300 -0.591 0.000 1.309 74 I CB 1.068 38.838 38.000 -0.383 0.000 1.415 74 I HN 0.663 nan 8.210 nan 0.000 0.492 75 V N 5.418 125.200 119.914 -0.220 0.000 2.427 75 V HA -0.166 3.953 4.120 -0.000 0.000 0.248 75 V C 0.598 176.707 176.094 0.024 0.000 1.051 75 V CA 1.399 63.738 62.300 0.064 0.000 1.048 75 V CB -1.011 30.909 31.823 0.161 0.000 0.666 75 V HN 0.983 nan 8.190 nan 0.000 0.456 76 Q N -2.185 117.595 119.800 -0.033 0.000 2.736 76 Q HA 0.531 4.871 4.340 -0.000 0.000 0.273 76 Q C -0.538 175.443 176.000 -0.031 0.000 0.948 76 Q CA -0.238 55.554 55.803 -0.018 0.000 0.854 76 Q CB 1.370 30.121 28.738 0.023 0.000 1.569 76 Q HN 0.596 nan 8.270 nan 0.000 0.405 77 G N 0.734 109.518 108.800 -0.027 0.000 2.422 77 G HA2 0.274 4.234 3.960 -0.000 0.000 0.607 77 G HA3 0.274 4.234 3.960 -0.000 0.000 0.607 77 G C -1.561 173.318 174.900 -0.034 0.000 1.270 77 G CA -0.360 44.724 45.100 -0.027 0.000 0.992 77 G HN 0.904 nan 8.290 nan 0.000 0.499 78 R N -1.244 119.240 120.500 -0.028 0.000 2.690 78 R HA 0.846 5.186 4.340 -0.000 0.000 0.269 78 R C 0.161 176.457 176.300 -0.006 0.000 1.037 78 R CA -0.100 55.988 56.100 -0.019 0.000 0.877 78 R CB 1.155 31.451 30.300 -0.007 0.000 1.255 78 R HN 2.466 nan 8.270 nan 0.000 0.467 79 G N -0.368 108.443 108.800 0.018 0.000 2.317 79 G HA2 0.388 4.347 3.960 -0.000 0.000 0.293 79 G HA3 0.388 4.347 3.960 -0.000 0.000 0.293 79 G C -1.898 173.055 174.900 0.089 0.000 1.287 79 G CA -0.636 44.498 45.100 0.056 0.000 0.850 79 G HN 0.400 nan 8.290 nan 0.000 0.515 80 V N 0.354 120.366 119.914 0.163 0.000 2.472 80 V HA 0.724 4.844 4.120 -0.000 0.000 0.290 80 V C -0.041 175.988 176.094 -0.108 0.000 1.037 80 V CA -0.637 61.716 62.300 0.089 0.000 0.908 80 V CB 1.371 33.334 31.823 0.234 0.000 0.985 80 V HN 0.788 nan 8.190 nan 0.000 0.454 81 L N 3.823 124.894 121.223 -0.255 0.000 2.333 81 L HA 0.886 5.226 4.340 -0.000 0.000 0.280 81 L C 0.355 176.797 176.870 -0.714 0.000 1.004 81 L CA -0.042 54.555 54.840 -0.406 0.000 0.820 81 L CB 1.535 43.470 42.059 -0.206 0.000 1.247 81 L HN 0.768 nan 8.230 nan 0.000 0.416 82 G N 4.134 112.168 108.800 -1.277 0.000 2.468 82 G HA2 0.669 4.629 3.960 -0.000 0.000 0.315 82 G HA3 0.669 4.629 3.960 -0.000 0.000 0.315 82 G C -0.796 173.632 174.900 -0.786 0.000 1.203 82 G CA -0.170 44.126 45.100 -1.340 0.000 0.962 82 G HN 0.842 nan 8.290 nan 0.000 0.476 83 A N 2.032 124.526 122.820 -0.543 0.000 2.312 83 A HA 0.802 5.122 4.320 -0.000 0.000 0.328 83 A C -0.445 176.778 177.584 -0.601 0.000 1.158 83 A CA -0.533 51.201 52.037 -0.505 0.000 0.821 83 A CB 1.689 20.312 19.000 -0.628 0.000 1.170 83 A HN 0.826 nan 8.150 nan 0.000 0.490 84 V N 1.902 121.531 119.914 -0.475 0.000 2.409 84 V HA 0.396 4.516 4.120 -0.000 0.000 0.291 84 V C -1.072 174.837 176.094 -0.308 0.000 1.020 84 V CA -0.077 62.030 62.300 -0.323 0.000 0.848 84 V CB 0.758 32.541 31.823 -0.066 0.000 0.990 84 V HN 0.715 nan 8.190 nan 0.000 0.430 85 F N 3.224 123.168 119.950 -0.009 0.000 2.347 85 F HA 0.384 4.911 4.527 -0.000 0.000 0.366 85 F C 1.004 176.793 175.800 -0.018 0.000 1.107 85 F CA -0.770 57.218 58.000 -0.021 0.000 1.058 85 F CB 1.781 40.770 39.000 -0.019 0.000 1.236 85 F HN 0.562 nan 8.300 nan 0.000 0.456 86 S N 1.882 117.665 115.700 0.139 0.000 2.560 86 S HA 0.420 4.890 4.470 -0.000 0.000 0.284 86 S C 1.074 175.711 174.600 0.060 0.000 1.327 86 S CA 0.220 58.460 58.200 0.067 0.000 1.055 86 S CB 1.198 64.407 63.200 0.015 0.000 0.868 86 S HN 1.278 nan 8.310 nan 0.000 0.506 87 G N 1.071 109.900 108.800 0.049 0.000 2.176 87 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.253 87 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.253 87 G C 0.224 175.159 174.900 0.058 0.000 0.979 87 G CA -0.054 45.070 45.100 0.040 0.000 0.641 87 G HN 0.993 nan 8.290 nan 0.000 0.530 88 c N 1.232 119.882 118.600 0.082 0.000 2.365 88 c HA 0.714 5.284 4.570 -0.000 0.000 0.349 88 c C -1.641 172.491 174.090 0.070 0.000 1.191 88 c CA -1.265 55.119 56.329 0.092 0.000 2.114 88 c CB 1.367 43.965 42.510 0.147 0.000 2.367 88 c HN 0.372 nan 8.230 nan 0.000 0.530 89 P HA 0.320 nan 4.420 nan 0.000 0.282 89 P C -1.070 176.259 177.300 0.049 0.000 1.249 89 P CA -0.259 62.871 63.100 0.050 0.000 0.806 89 P CB 0.492 32.218 31.700 0.044 0.000 0.984 90 E N 0.257 120.483 120.200 0.044 0.000 2.104 90 E HA 0.103 4.453 4.350 -0.000 0.000 0.278 90 E C 1.062 177.691 176.600 0.049 0.000 1.127 90 E CA 0.349 56.771 56.400 0.035 0.000 0.897 90 E CB -0.054 29.671 29.700 0.040 0.000 1.043 90 E HN 0.301 nan 8.360 nan 0.000 0.410 91 T N 2.830 117.429 114.554 0.075 0.000 3.065 91 T HA 0.106 4.456 4.350 -0.000 0.000 0.252 91 T C -0.051 174.837 174.700 0.313 0.000 1.099 91 T CA -0.002 62.194 62.100 0.160 0.000 1.063 91 T CB 0.050 69.024 68.868 0.176 0.000 0.948 91 T HN 0.161 nan 8.240 nan 0.000 0.506 92 F N 3.925 123.794 119.950 -0.135 0.000 2.334 92 F HA 0.531 5.058 4.527 -0.000 0.000 0.367 92 F C 0.260 175.890 175.800 -0.284 0.000 1.115 92 F CA -2.132 55.740 58.000 -0.213 0.000 1.116 92 F CB 0.782 39.580 39.000 -0.336 0.000 1.230 92 F HN 0.269 nan 8.300 nan 0.000 0.484 93 E N 2.393 122.584 120.200 -0.014 0.000 2.383 93 E HA 0.322 4.672 4.350 -0.000 0.000 0.275 93 E C -1.191 175.408 176.600 -0.001 0.000 0.918 93 E CA -0.818 55.575 56.400 -0.012 0.000 0.764 93 E CB 1.879 31.584 29.700 0.008 0.000 1.252 93 E HN 0.467 nan 8.360 nan 0.000 0.449 94 E N 0.710 120.925 120.200 0.025 0.000 2.408 94 E HA 0.228 4.578 4.350 -0.000 0.000 0.259 94 E C -0.364 176.241 176.600 0.009 0.000 1.110 94 E CA 0.032 56.445 56.400 0.022 0.000 0.929 94 E CB 0.923 30.645 29.700 0.037 0.000 0.971 94 E HN 0.466 nan 8.360 nan 0.000 0.438 95 S N 1.517 117.218 115.700 0.003 0.000 2.707 95 S HA 0.111 4.581 4.470 -0.000 0.000 0.276 95 S C -0.580 174.022 174.600 0.003 0.000 1.179 95 S CA -0.900 57.299 58.200 -0.000 0.000 0.992 95 S CB 1.030 64.225 63.200 -0.007 0.000 1.030 95 S HN 0.687 nan 8.310 nan 0.000 0.554 168 D N 1.037 121.480 120.400 0.071 0.000 2.308 168 D HA 0.602 5.242 4.640 -0.000 0.000 0.242 168 D C -1.239 175.135 176.300 0.123 0.000 1.059 168 D CA -0.246 53.824 54.000 0.116 0.000 0.830 168 D CB 1.141 42.033 40.800 0.154 0.000 1.161 168 D HN 0.473 nan 8.370 nan 0.000 0.494 169 R N 1.964 122.542 120.500 0.131 0.000 2.548 169 R HA 0.667 5.007 4.340 -0.000 0.000 0.280 169 R C -1.342 175.028 176.300 0.117 0.000 1.061 169 R CA -0.880 55.258 56.100 0.063 0.000 0.915 169 R CB 1.105 31.430 30.300 0.041 0.000 1.210 169 R HN 0.594 nan 8.270 nan 0.000 0.442 170 H N -0.190 118.955 119.070 0.126 0.000 2.942 170 H HA 0.385 4.941 4.556 -0.000 0.000 0.316 170 H C -1.106 174.246 175.328 0.039 0.000 1.323 170 H CA -1.152 54.944 56.048 0.080 0.000 1.144 170 H CB 1.137 30.947 29.762 0.081 0.000 1.866 170 H HN 0.622 nan 8.280 nan 0.000 0.545 171 Q N 0.681 120.549 119.800 0.114 0.000 2.312 171 Q HA 0.154 4.494 4.340 -0.000 0.000 0.236 171 Q C -0.275 175.556 176.000 -0.283 0.000 0.965 171 Q CA -0.839 54.922 55.803 -0.071 0.000 0.894 171 Q CB 0.925 29.620 28.738 -0.071 0.000 1.225 171 Q HN 0.556 nan 8.270 nan 0.000 0.478 172 K N 0.861 120.915 120.400 -0.577 0.000 2.548 172 K HA -0.106 4.214 4.320 -0.000 0.000 0.277 172 K C -0.923 175.274 176.600 -0.672 0.000 1.001 172 K CA 0.667 56.316 56.287 -1.063 0.000 1.102 172 K CB 0.293 32.431 32.500 -0.603 0.000 0.848 172 K HN 0.463 nan 8.250 nan 0.000 0.487 173 T N 5.153 119.299 114.554 -0.680 0.000 2.795 173 T HA 0.328 4.678 4.350 -0.000 0.000 0.282 173 T C -0.564 174.073 174.700 -0.104 0.000 0.980 173 T CA -0.606 61.336 62.100 -0.265 0.000 1.012 173 T CB 0.669 69.550 68.868 0.022 0.000 0.936 173 T HN 0.498 nan 8.240 nan 0.000 0.457 174 R N 2.376 122.784 120.500 -0.153 0.000 2.393 174 R HA 0.422 4.762 4.340 -0.000 0.000 0.315 174 R C -0.133 176.152 176.300 -0.026 0.000 0.952 174 R CA -0.858 55.204 56.100 -0.064 0.000 0.842 174 R CB 1.934 32.172 30.300 -0.104 0.000 1.163 174 R HN 0.431 nan 8.270 nan 0.000 0.450 175 R N 4.347 124.869 120.500 0.038 0.000 2.347 175 R HA 0.242 4.581 4.340 -0.000 0.000 0.304 175 R C -0.028 176.276 176.300 0.006 0.000 1.072 175 R CA -0.142 55.987 56.100 0.048 0.000 0.980 175 R CB 0.393 30.738 30.300 0.076 0.000 0.986 175 R HN 0.623 nan 8.270 nan 0.000 0.448 176 I N 1.474 122.039 120.570 -0.008 0.000 2.562 176 I HA 0.654 4.824 4.170 -0.000 0.000 0.301 176 I C -0.848 175.245 176.117 -0.041 0.000 1.003 176 I CA -1.240 60.036 61.300 -0.040 0.000 1.127 176 I CB 2.099 40.062 38.000 -0.061 0.000 1.304 176 I HN 0.643 nan 8.210 nan 0.000 0.446 177 R N 2.180 122.638 120.500 -0.070 0.000 2.692 177 R HA 0.340 4.680 4.340 -0.000 0.000 0.269 177 R C -1.193 175.030 176.300 -0.128 0.000 1.030 177 R CA -0.981 55.074 56.100 -0.074 0.000 0.882 177 R CB 1.178 31.455 30.300 -0.038 0.000 1.250 177 R HN 0.730 nan 8.270 nan 0.000 0.465 178 E N 0.560 120.686 120.200 -0.122 0.000 3.056 178 E HA -0.111 4.239 4.350 -0.000 0.000 0.264 178 E C 0.624 177.115 176.600 -0.183 0.000 0.899 178 E CA 2.082 58.383 56.400 -0.163 0.000 0.966 178 E CB 0.039 29.698 29.700 -0.068 0.000 0.913 178 E HN 0.809 nan 8.360 nan 0.000 0.522 179 G N 3.784 112.357 108.800 -0.378 0.000 2.213 179 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.236 179 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.236 179 G C -0.124 174.645 174.900 -0.218 0.000 0.991 179 G CA 0.142 45.114 45.100 -0.213 0.000 0.629 179 G HN 0.645 nan 8.290 nan 0.000 0.517 180 D N 0.105 120.330 120.400 -0.292 0.000 2.341 180 D HA 0.522 5.162 4.640 -0.000 0.000 0.245 180 D C 0.245 176.416 176.300 -0.215 0.000 1.106 180 D CA 0.151 54.045 54.000 -0.176 0.000 0.905 180 D CB 1.761 42.473 40.800 -0.147 0.000 1.202 180 D HN 0.194 nan 8.370 nan 0.000 0.426 181 V N 2.716 122.598 119.914 -0.054 0.000 2.409 181 V HA 0.360 4.480 4.120 -0.000 0.000 0.291 181 V C -0.210 175.875 176.094 -0.016 0.000 1.020 181 V CA -0.720 61.584 62.300 0.007 0.000 0.848 181 V CB 1.834 33.770 31.823 0.188 0.000 0.990 181 V HN 0.248 nan 8.190 nan 0.000 0.430 182 V N 3.844 123.722 119.914 -0.060 0.000 2.513 182 V HA 0.803 4.923 4.120 -0.000 0.000 0.299 182 V C 0.307 176.362 176.094 -0.065 0.000 1.035 182 V CA -0.588 61.666 62.300 -0.076 0.000 0.889 182 V CB 1.921 33.660 31.823 -0.141 0.000 0.988 182 V HN 0.954 nan 8.190 nan 0.000 0.440 183 A N 6.163 128.959 122.820 -0.039 0.000 2.271 183 A HA 0.829 5.149 4.320 -0.000 0.000 0.317 183 A C -0.753 176.804 177.584 -0.046 0.000 1.245 183 A CA -0.400 51.625 52.037 -0.019 0.000 0.857 183 A CB 0.352 19.368 19.000 0.027 0.000 1.175 183 A HN 0.589 nan 8.150 nan 0.000 0.512 184 I N 4.177 124.695 120.570 -0.086 0.000 2.420 184 I HA 0.303 4.473 4.170 -0.000 0.000 0.282 184 I C -2.558 173.553 176.117 -0.009 0.000 1.019 184 I CA -2.450 58.798 61.300 -0.087 0.000 1.130 184 I CB 1.021 38.856 38.000 -0.275 0.000 1.262 184 I HN 0.323 nan 8.210 nan 0.000 0.454 185 P HA 0.093 nan 4.420 nan 0.000 0.270 185 P C -0.088 177.237 177.300 0.041 0.000 1.227 185 P CA -0.119 62.992 63.100 0.018 0.000 0.788 185 P CB 0.740 32.486 31.700 0.078 0.000 0.926 186 A N 1.631 124.456 122.820 0.008 0.000 2.425 186 A HA 0.467 4.787 4.320 -0.000 0.000 0.249 186 A C 1.434 179.042 177.584 0.039 0.000 1.084 186 A CA 0.549 52.628 52.037 0.070 0.000 0.781 186 A CB -1.223 17.820 19.000 0.072 0.000 1.019 186 A HN 0.854 nan 8.150 nan 0.000 0.490 187 G N 0.403 109.246 108.800 0.071 0.000 2.179 187 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.260 187 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.260 187 G C 0.135 174.928 174.900 -0.177 0.000 0.977 187 G CA 0.249 45.273 45.100 -0.126 0.000 0.641 187 G HN 1.430 nan 8.290 nan 0.000 0.533 188 V N 1.106 121.041 119.914 0.034 0.000 2.394 188 V HA 0.759 4.879 4.120 -0.000 0.000 0.282 188 V C 0.781 176.977 176.094 0.171 0.000 1.031 188 V CA -0.304 62.041 62.300 0.075 0.000 0.881 188 V CB 1.461 33.379 31.823 0.158 0.000 0.982 188 V HN 1.024 nan 8.190 nan 0.000 0.451 189 A N 5.494 128.389 122.820 0.123 0.000 2.327 189 A HA 0.801 5.121 4.320 -0.000 0.000 0.283 189 A C -0.776 176.917 177.584 0.182 0.000 1.127 189 A CA -0.241 51.922 52.037 0.211 0.000 0.810 189 A CB 0.375 19.482 19.000 0.178 0.000 1.066 189 A HN 1.180 nan 8.150 nan 0.000 0.492 190 Y N -0.003 120.290 120.300 -0.011 0.000 2.625 190 Y HA 0.794 5.344 4.550 -0.000 0.000 0.338 190 Y C -1.339 174.542 175.900 -0.031 0.000 1.123 190 Y CA -1.989 56.043 58.100 -0.113 0.000 1.046 190 Y CB 1.136 39.490 38.460 -0.176 0.000 1.299 190 Y HN 0.862 nan 8.280 nan 0.000 0.464 191 W N 1.797 122.950 121.300 -0.245 0.000 3.129 191 W HA 0.742 5.402 4.660 -0.000 0.000 0.333 191 W C -1.883 174.593 176.519 -0.072 0.000 1.141 191 W CA -1.103 56.047 57.345 -0.324 0.000 1.224 191 W CB 1.419 30.766 29.460 -0.189 0.000 1.393 191 W HN 0.915 nan 8.180 nan 0.000 0.499 192 S N 1.794 117.633 115.700 0.232 0.000 2.664 192 S HA 0.807 5.277 4.470 -0.000 0.000 0.304 192 S C -1.763 173.144 174.600 0.511 0.000 1.099 192 S CA -0.688 57.668 58.200 0.259 0.000 1.003 192 S CB 2.813 66.171 63.200 0.263 0.000 1.092 192 S HN 0.587 nan 8.310 nan 0.000 0.525 193 Y N 0.914 121.372 120.300 0.263 0.000 2.358 193 Y HA 0.390 4.940 4.550 -0.000 0.000 0.324 193 Y C -0.839 175.171 175.900 0.183 0.000 1.123 193 Y CA -0.837 57.429 58.100 0.277 0.000 1.067 193 Y CB 1.361 40.071 38.460 0.416 0.000 1.230 193 Y HN 0.943 nan 8.280 nan 0.000 0.429 194 N N 5.059 123.524 118.700 -0.391 0.000 2.466 194 N HA -0.028 4.712 4.740 -0.000 0.000 0.263 194 N C 0.392 175.562 175.510 -0.567 0.000 1.178 194 N CA -0.001 52.841 53.050 -0.346 0.000 0.983 194 N CB 0.372 38.731 38.487 -0.213 0.000 1.331 194 N HN 0.817 nan 8.380 nan 0.000 0.500 195 D N 2.980 123.202 120.400 -0.298 0.000 2.234 195 D HA -0.020 4.620 4.640 -0.000 0.000 0.205 195 D C 1.173 177.441 176.300 -0.054 0.000 0.962 195 D CA 0.422 54.364 54.000 -0.097 0.000 0.855 195 D CB 0.068 40.958 40.800 0.149 0.000 0.951 195 D HN 0.658 nan 8.370 nan 0.000 0.500 196 G N 0.483 109.248 108.800 -0.058 0.000 2.466 196 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.279 196 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.279 196 G C 0.710 175.589 174.900 -0.034 0.000 1.410 196 G CA 0.520 45.602 45.100 -0.031 0.000 1.065 196 G HN 0.248 nan 8.290 nan 0.000 0.547 197 D N -1.846 118.542 120.400 -0.019 0.000 2.423 197 D HA 0.025 4.665 4.640 -0.000 0.000 0.208 197 D C 0.963 177.254 176.300 -0.015 0.000 1.068 197 D CA 0.252 54.244 54.000 -0.014 0.000 0.860 197 D CB 0.138 40.937 40.800 -0.003 0.000 0.992 197 D HN 0.645 nan 8.370 nan 0.000 0.504 198 Q N 0.487 120.277 119.800 -0.016 0.000 2.359 198 Q HA 0.441 4.781 4.340 -0.000 0.000 0.275 198 Q C -0.707 175.281 176.000 -0.019 0.000 1.082 198 Q CA -0.926 54.870 55.803 -0.012 0.000 0.849 198 Q CB 1.455 30.192 28.738 -0.002 0.000 1.377 198 Q HN -0.142 nan 8.270 nan 0.000 0.452 199 E N 0.766 120.959 120.200 -0.013 0.000 2.480 199 E HA -0.011 4.339 4.350 -0.000 0.000 0.258 199 E C -0.848 175.742 176.600 -0.015 0.000 0.984 199 E CA -0.104 56.287 56.400 -0.015 0.000 0.930 199 E CB 0.448 30.145 29.700 -0.005 0.000 0.936 199 E HN 0.285 nan 8.360 nan 0.000 0.466 200 L N 5.172 126.381 121.223 -0.023 0.000 2.260 200 L HA 0.219 4.559 4.340 -0.000 0.000 0.289 200 L C -0.972 175.891 176.870 -0.013 0.000 1.057 200 L CA -0.267 54.560 54.840 -0.022 0.000 0.811 200 L CB 1.133 43.178 42.059 -0.024 0.000 1.184 200 L HN 0.223 nan 8.230 nan 0.000 0.429 201 V N 4.752 124.657 119.914 -0.014 0.000 2.656 201 V HA 0.955 5.075 4.120 -0.000 0.000 0.307 201 V C -0.281 175.795 176.094 -0.031 0.000 1.051 201 V CA -0.280 62.017 62.300 -0.006 0.000 0.893 201 V CB 1.441 33.279 31.823 0.025 0.000 0.999 201 V HN 1.005 nan 8.190 nan 0.000 0.426 202 A N 3.500 126.301 122.820 -0.033 0.000 2.566 202 A HA 0.844 5.164 4.320 -0.000 0.000 0.297 202 A C -0.925 176.620 177.584 -0.066 0.000 1.059 202 A CA -0.500 51.491 52.037 -0.076 0.000 0.691 202 A CB 1.929 20.872 19.000 -0.094 0.000 1.282 202 A HN 1.496 nan 8.150 nan 0.000 0.401 203 V N 0.289 120.120 119.914 -0.137 0.000 2.617 203 V HA 0.668 4.788 4.120 -0.000 0.000 0.298 203 V C -0.367 175.679 176.094 -0.080 0.000 1.048 203 V CA -0.882 61.353 62.300 -0.110 0.000 0.964 203 V CB 1.601 33.222 31.823 -0.337 0.000 1.004 203 V HN 0.734 nan 8.190 nan 0.000 0.466 204 N N 4.202 122.917 118.700 0.025 0.000 2.354 204 N HA 0.491 5.231 4.740 -0.000 0.000 0.287 204 N C -1.562 173.852 175.510 -0.161 0.000 1.016 204 N CA -0.548 52.438 53.050 -0.106 0.000 0.871 204 N CB 2.274 40.736 38.487 -0.041 0.000 1.299 204 N HN 0.502 nan 8.380 nan 0.000 0.482 205 L N 3.377 124.337 121.223 -0.439 0.000 2.280 205 L HA 0.507 4.847 4.340 -0.000 0.000 0.287 205 L C -0.618 175.795 176.870 -0.762 0.000 1.023 205 L CA -0.406 54.016 54.840 -0.698 0.000 0.819 205 L CB -0.024 41.167 42.059 -1.446 0.000 1.212 205 L HN 0.386 nan 8.230 nan 0.000 0.420 206 F N 1.736 121.522 119.950 -0.272 0.000 2.420 206 F HA 0.292 4.819 4.527 -0.000 0.000 0.342 206 F C 1.028 176.852 175.800 0.040 0.000 1.113 206 F CA -0.547 57.404 58.000 -0.081 0.000 1.059 206 F CB 0.745 39.687 39.000 -0.096 0.000 1.128 206 F HN 0.412 nan 8.300 nan 0.000 0.475 207 H N 3.858 123.076 119.070 0.247 0.000 2.788 207 H HA 0.268 4.824 4.556 -0.000 0.000 0.254 207 H C 1.022 176.443 175.328 0.155 0.000 1.541 207 H CA -0.547 55.655 56.048 0.257 0.000 1.295 207 H CB 0.834 30.770 29.762 0.290 0.000 1.592 207 H HN 0.701 nan 8.280 nan 0.000 0.545 208 V N 1.899 121.905 119.914 0.154 0.000 3.026 208 V HA -0.137 3.983 4.120 -0.000 0.000 0.265 208 V C 1.470 177.517 176.094 -0.078 0.000 1.121 208 V CA 1.648 63.950 62.300 0.003 0.000 1.142 208 V CB -0.294 31.500 31.823 -0.048 0.000 0.730 208 V HN 0.626 nan 8.190 nan 0.000 0.503 209 S N -0.599 115.009 115.700 -0.154 0.000 2.582 209 S HA 0.263 4.733 4.470 -0.000 0.000 0.234 209 S C 0.851 175.142 174.600 -0.515 0.000 0.961 209 S CA 0.318 58.394 58.200 -0.208 0.000 0.953 209 S CB -0.265 62.923 63.200 -0.020 0.000 0.800 209 S HN 0.647 nan 8.310 nan 0.000 0.471 210 S N 1.298 116.506 115.700 -0.821 0.000 2.572 210 S HA 0.101 4.571 4.470 -0.000 0.000 0.279 210 S C 0.798 175.201 174.600 -0.328 0.000 1.341 210 S CA -0.358 57.411 58.200 -0.717 0.000 1.043 210 S CB 0.286 63.252 63.200 -0.390 0.000 0.887 210 S HN 0.382 nan 8.310 nan 0.000 0.516 211 D N 1.771 121.978 120.400 -0.322 0.000 2.378 211 D HA -0.078 4.562 4.640 -0.000 0.000 0.222 211 D C 0.840 177.022 176.300 -0.196 0.000 0.980 211 D CA 0.798 54.655 54.000 -0.240 0.000 0.907 211 D CB -0.063 40.589 40.800 -0.247 0.000 0.899 211 D HN 0.621 nan 8.370 nan 0.000 0.527 212 H N -0.029 118.990 119.070 -0.087 0.000 2.551 212 H HA 0.047 4.603 4.556 -0.000 0.000 0.266 212 H C 0.502 175.812 175.328 -0.031 0.000 0.977 212 H CA 0.250 56.264 56.048 -0.056 0.000 1.163 212 H CB 0.031 29.738 29.762 -0.091 0.000 1.381 212 H HN 0.074 nan 8.280 nan 0.000 0.581 213 N N 1.123 119.852 118.700 0.048 0.000 2.446 213 N HA 0.042 4.782 4.740 -0.000 0.000 0.265 213 N C 0.206 175.726 175.510 0.015 0.000 0.975 213 N CA -0.174 52.898 53.050 0.036 0.000 0.928 213 N CB 1.099 39.593 38.487 0.011 0.000 1.160 213 N HN 0.015 nan 8.380 nan 0.000 0.495 214 Q N 2.964 122.783 119.800 0.031 0.000 2.217 214 Q HA 0.227 4.567 4.340 -0.000 0.000 0.217 214 Q C 0.932 176.950 176.000 0.029 0.000 0.844 214 Q CA -0.109 55.708 55.803 0.023 0.000 0.957 214 Q CB 0.837 29.590 28.738 0.027 0.000 1.127 214 Q HN 0.603 nan 8.270 nan 0.000 0.503 215 L N 1.125 122.372 121.223 0.040 0.000 1.947 215 L HA -0.059 4.281 4.340 -0.000 0.000 0.211 215 L C 0.484 177.373 176.870 0.032 0.000 1.098 215 L CA 1.263 56.133 54.840 0.049 0.000 0.767 215 L CB -0.194 41.913 42.059 0.079 0.000 0.891 215 L HN 0.315 nan 8.230 nan 0.000 0.436 216 D N -4.457 115.956 120.400 0.021 0.000 2.764 216 D HA -0.003 4.637 4.640 -0.000 0.000 0.293 216 D C -0.114 176.185 176.300 -0.002 0.000 1.287 216 D CA -0.632 53.376 54.000 0.013 0.000 0.768 216 D CB 0.797 41.609 40.800 0.021 0.000 1.288 216 D HN -0.126 nan 8.370 nan 0.000 0.426 217 Q N -0.217 119.588 119.800 0.009 0.000 2.458 217 Q HA -0.037 4.303 4.340 -0.000 0.000 0.215 217 Q C -0.398 175.591 176.000 -0.019 0.000 0.989 217 Q CA 1.264 57.074 55.803 0.011 0.000 0.895 217 Q CB -0.479 28.286 28.738 0.046 0.000 0.934 217 Q HN 0.434 nan 8.270 nan 0.000 0.475 218 N N 1.637 120.313 118.700 -0.040 0.000 2.472 218 N HA 0.190 4.930 4.740 -0.000 0.000 0.277 218 N C -2.607 172.726 175.510 -0.295 0.000 1.081 218 N CA -1.453 51.512 53.050 -0.141 0.000 0.973 218 N CB 1.000 39.465 38.487 -0.038 0.000 1.105 218 N HN 0.113 nan 8.380 nan 0.000 0.470 219 P HA 0.273 nan 4.420 nan 0.000 0.282 219 P C -1.071 175.907 177.300 -0.537 0.000 1.249 219 P CA -0.200 62.456 63.100 -0.740 0.000 0.806 219 P CB 1.455 32.275 31.700 -1.466 0.000 0.984 220 R N 0.984 121.311 120.500 -0.287 0.000 2.739 220 R HA 0.592 4.932 4.340 -0.000 0.000 0.271 220 R C -0.645 175.618 176.300 -0.062 0.000 1.010 220 R CA -0.995 55.010 56.100 -0.159 0.000 0.897 220 R CB 2.236 32.400 30.300 -0.227 0.000 1.236 220 R HN 0.355 nan 8.270 nan 0.000 0.466 221 K N 1.840 122.154 120.400 -0.143 0.000 2.579 221 K HA 0.357 4.677 4.320 -0.000 0.000 0.250 221 K C -1.512 174.873 176.600 -0.358 0.000 0.952 221 K CA -0.414 55.796 56.287 -0.128 0.000 0.857 221 K CB 0.855 33.333 32.500 -0.036 0.000 1.123 221 K HN 0.310 nan 8.250 nan 0.000 0.433 222 F N 3.897 123.512 119.950 -0.559 0.000 2.413 222 F HA 0.266 4.793 4.527 -0.000 0.000 0.359 222 F C 0.031 175.435 175.800 -0.660 0.000 1.122 222 F CA -0.362 57.247 58.000 -0.652 0.000 1.160 222 F CB 0.222 38.529 39.000 -1.155 0.000 1.146 222 F HN 0.380 nan 8.300 nan 0.000 0.514 223 Y N 2.985 123.205 120.300 -0.134 0.000 2.301 223 Y HA 0.313 4.863 4.550 -0.000 0.000 0.325 223 Y C 0.941 176.838 175.900 -0.004 0.000 1.203 223 Y CA -0.251 57.813 58.100 -0.059 0.000 1.255 223 Y CB 1.050 39.491 38.460 -0.033 0.000 1.232 223 Y HN 0.469 nan 8.280 nan 0.000 0.501 224 L N 2.518 123.865 121.223 0.207 0.000 2.808 224 L HA 0.528 4.868 4.340 -0.000 0.000 0.246 224 L C 0.004 177.080 176.870 0.344 0.000 1.153 224 L CA 0.006 54.978 54.840 0.221 0.000 0.956 224 L CB 0.023 42.201 42.059 0.198 0.000 1.270 224 L HN 0.674 nan 8.230 nan 0.000 0.528 225 A N -0.988 122.002 122.820 0.284 0.000 2.599 225 A HA 0.651 4.971 4.320 -0.000 0.000 0.294 225 A C -0.048 177.600 177.584 0.108 0.000 1.055 225 A CA 0.022 52.177 52.037 0.196 0.000 0.683 225 A CB 0.675 19.754 19.000 0.133 0.000 1.278 225 A HN 0.244 nan 8.150 nan 0.000 0.412 226 G N 0.368 109.194 108.800 0.045 0.000 2.796 226 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.226 226 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.226 226 G C -0.191 174.683 174.900 -0.044 0.000 1.381 226 G CA 0.093 45.179 45.100 -0.022 0.000 0.867 226 G HN 1.832 nan 8.290 nan 0.000 0.552 227 N N 1.174 119.823 118.700 -0.085 0.000 2.851 227 N HA 0.476 5.216 4.740 -0.000 0.000 0.248 227 N C -2.338 173.080 175.510 -0.153 0.000 1.221 227 N CA -1.437 51.559 53.050 -0.091 0.000 0.847 227 N CB 1.647 40.098 38.487 -0.060 0.000 1.150 227 N HN 0.525 nan 8.380 nan 0.000 0.507 228 P HA 0.158 nan 4.420 nan 0.000 0.278 228 P C -0.839 176.331 177.300 -0.216 0.000 1.258 228 P CA -0.205 62.689 63.100 -0.343 0.000 0.811 228 P CB 1.597 32.832 31.700 -0.775 0.000 1.063 229 E N 0.742 120.826 120.200 -0.193 0.000 2.277 229 E HA 0.163 4.513 4.350 -0.000 0.000 0.274 229 E C -0.371 176.160 176.600 -0.115 0.000 1.022 229 E CA -0.694 55.629 56.400 -0.129 0.000 0.853 229 E CB 0.480 30.110 29.700 -0.116 0.000 1.086 229 E HN 0.356 nan 8.360 nan 0.000 0.397 230 N N 2.503 121.154 118.700 -0.082 0.000 2.454 230 N HA -0.045 4.695 4.740 -0.000 0.000 0.260 230 N C 0.181 175.636 175.510 -0.092 0.000 1.218 230 N CA 0.354 53.367 53.050 -0.062 0.000 0.904 230 N CB 0.574 39.038 38.487 -0.038 0.000 1.065 230 N HN 0.494 nan 8.380 nan 0.000 0.462 231 E N 0.654 120.766 120.200 -0.148 0.000 2.099 231 E HA 0.038 4.388 4.350 -0.000 0.000 0.191 231 E C 0.252 176.630 176.600 -0.370 0.000 0.962 231 E CA 0.770 56.972 56.400 -0.329 0.000 0.826 231 E CB 0.060 29.444 29.700 -0.527 0.000 0.788 231 E HN 0.513 nan 8.360 nan 0.000 0.461 232 F N 1.762 121.717 119.950 0.009 0.000 2.403 232 F HA 0.065 4.592 4.527 -0.000 0.000 0.263 232 F C 0.864 176.769 175.800 0.175 0.000 1.020 232 F CA -0.599 57.480 58.000 0.131 0.000 1.091 232 F CB -0.385 38.409 39.000 -0.343 0.000 1.141 232 F HN -0.170 nan 8.300 nan 0.000 0.633 233 N N 3.420 122.279 118.700 0.265 0.000 2.195 233 N HA -0.176 4.564 4.740 -0.000 0.000 0.280 233 N C -0.444 175.121 175.510 0.091 0.000 1.236 233 N CA 0.263 53.397 53.050 0.140 0.000 1.151 233 N CB -0.390 38.104 38.487 0.011 0.000 1.466 233 N HN 0.380 nan 8.380 nan 0.000 0.485 234 Q N 1.325 121.196 119.800 0.119 0.000 2.337 234 Q HA -0.010 4.330 4.340 -0.000 0.000 0.255 234 Q C 0.381 176.390 176.000 0.015 0.000 1.205 234 Q CA 0.525 56.355 55.803 0.045 0.000 0.902 234 Q CB -0.181 28.576 28.738 0.032 0.000 1.433 234 Q HN 0.683 nan 8.270 nan 0.000 0.471 235 Q N 2.016 121.814 119.800 -0.003 0.000 2.357 235 Q HA -0.182 4.158 4.340 -0.000 0.000 0.366 235 Q C 0.942 176.937 176.000 -0.008 0.000 1.256 235 Q CA 1.866 57.662 55.803 -0.013 0.000 1.183 235 Q CB -2.184 26.542 28.738 -0.020 0.000 1.346 235 Q HN 1.156 nan 8.270 nan 0.000 0.307 236 G N -2.837 105.961 108.800 -0.004 0.000 2.561 236 G HA2 0.341 4.301 3.960 -0.000 0.000 0.203 236 G HA3 0.341 4.301 3.960 -0.000 0.000 0.203 236 G C 1.172 176.077 174.900 0.010 0.000 1.101 236 G CA 1.318 46.418 45.100 -0.001 0.000 0.711 236 G HN 2.548 nan 8.290 nan 0.000 0.511 269 N N -1.475 117.198 118.700 -0.046 0.000 4.952 269 N HA -0.015 4.725 4.740 -0.000 0.000 0.212 269 N C -0.834 174.675 175.510 -0.003 0.000 1.162 269 N CA -0.560 52.474 53.050 -0.026 0.000 0.706 269 N CB 0.418 38.893 38.487 -0.021 0.000 1.629 269 N HN 0.870 nan 8.380 nan 0.000 0.449 270 N N -0.538 118.185 118.700 0.038 0.000 2.448 270 N HA 0.279 5.019 4.740 -0.000 0.000 0.274 270 N C 1.204 176.723 175.510 0.015 0.000 1.239 270 N CA -0.323 52.776 53.050 0.081 0.000 0.982 270 N CB 1.345 39.936 38.487 0.174 0.000 1.199 270 N HN 0.349 nan 8.380 nan 0.000 0.576 271 V N -1.447 118.453 119.914 -0.024 0.000 2.515 271 V HA -0.137 3.983 4.120 -0.000 0.000 0.250 271 V C 1.875 177.776 176.094 -0.322 0.000 1.058 271 V CA 1.133 63.332 62.300 -0.169 0.000 1.064 271 V CB -1.276 30.479 31.823 -0.113 0.000 0.675 271 V HN 0.650 nan 8.190 nan 0.000 0.461 272 F N 2.552 122.473 119.950 -0.048 0.000 2.091 272 F HA -0.210 4.317 4.527 -0.000 0.000 0.299 272 F C 2.964 178.727 175.800 -0.062 0.000 1.103 272 F CA 2.495 60.531 58.000 0.060 0.000 1.228 272 F CB -0.641 38.447 39.000 0.146 0.000 0.984 272 F HN 0.416 nan 8.300 nan 0.000 0.477 273 S N -0.123 115.662 115.700 0.142 0.000 2.571 273 S HA -0.097 4.373 4.470 -0.000 0.000 0.245 273 S C 1.907 176.480 174.600 -0.046 0.000 0.976 273 S CA 0.960 59.192 58.200 0.054 0.000 0.954 273 S CB -0.932 62.289 63.200 0.035 0.000 0.756 273 S HN 0.383 nan 8.310 nan 0.000 0.535 274 G N -0.424 108.240 108.800 -0.226 0.000 2.744 274 G HA2 0.322 4.282 3.960 -0.000 0.000 0.211 274 G HA3 0.322 4.282 3.960 -0.000 0.000 0.211 274 G C 0.119 174.887 174.900 -0.220 0.000 1.146 274 G CA -0.363 44.566 45.100 -0.285 0.000 0.787 274 G HN 0.454 nan 8.290 nan 0.000 0.534 275 F N 0.192 120.201 119.950 0.099 0.000 2.370 275 F HA 0.351 4.878 4.527 -0.000 0.000 0.319 275 F C 0.554 176.397 175.800 0.072 0.000 1.129 275 F CA -2.155 55.898 58.000 0.089 0.000 1.109 275 F CB 0.506 39.578 39.000 0.120 0.000 1.262 275 F HN -0.096 nan 8.300 nan 0.000 0.534 276 N N 0.586 119.459 118.700 0.289 0.000 2.434 276 N HA 0.029 4.769 4.740 -0.000 0.000 0.273 276 N C 0.828 176.422 175.510 0.141 0.000 1.210 276 N CA 0.348 53.493 53.050 0.160 0.000 0.992 276 N CB 0.230 38.785 38.487 0.115 0.000 1.355 276 N HN 0.596 nan 8.380 nan 0.000 0.495 277 T N 1.622 116.254 114.554 0.129 0.000 2.684 277 T HA -0.449 3.901 4.350 -0.000 0.000 0.259 277 T C 1.484 176.225 174.700 0.068 0.000 1.086 277 T CA 2.236 64.395 62.100 0.098 0.000 1.155 277 T CB -0.626 68.280 68.868 0.063 0.000 0.848 277 T HN 0.751 nan 8.240 nan 0.000 0.464 278 Q N 0.342 120.174 119.800 0.052 0.000 2.002 278 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 278 Q C 2.352 178.369 176.000 0.029 0.000 0.988 278 Q CA 1.778 57.601 55.803 0.033 0.000 0.843 278 Q CB -0.433 28.322 28.738 0.028 0.000 0.908 278 Q HN 0.456 nan 8.270 nan 0.000 0.420 279 L N 0.599 121.843 121.223 0.036 0.000 1.990 279 L HA -0.193 4.147 4.340 -0.000 0.000 0.213 279 L C 2.232 179.102 176.870 -0.000 0.000 1.072 279 L CA 1.864 56.712 54.840 0.015 0.000 0.755 279 L CB -1.203 40.866 42.059 0.016 0.000 0.889 279 L HN 0.544 nan 8.230 nan 0.000 0.432 280 L N 0.267 121.508 121.223 0.030 0.000 1.990 280 L HA -0.193 4.147 4.340 -0.000 0.000 0.213 280 L C 2.569 179.449 176.870 0.016 0.000 1.072 280 L CA 2.455 57.315 54.840 0.032 0.000 0.755 280 L CB -1.659 40.495 42.059 0.157 0.000 0.889 280 L HN 0.352 nan 8.230 nan 0.000 0.432 281 A N -1.047 121.783 122.820 0.018 0.000 1.892 281 A HA -0.357 3.963 4.320 -0.000 0.000 0.218 281 A C 2.347 179.927 177.584 -0.005 0.000 1.188 281 A CA 2.251 54.288 52.037 -0.000 0.000 0.631 281 A CB -0.871 18.130 19.000 0.002 0.000 0.822 281 A HN 0.706 nan 8.150 nan 0.000 0.447 282 Q N -0.944 118.853 119.800 -0.004 0.000 2.096 282 Q HA -0.130 4.210 4.340 -0.000 0.000 0.204 282 Q C 2.298 178.290 176.000 -0.013 0.000 0.982 282 Q CA 1.639 57.438 55.803 -0.008 0.000 0.850 282 Q CB -0.369 28.365 28.738 -0.007 0.000 0.901 282 Q HN 0.667 nan 8.270 nan 0.000 0.422 283 A N 0.581 123.389 122.820 -0.021 0.000 1.851 283 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 283 A C 1.999 179.576 177.584 -0.011 0.000 1.195 283 A CA 1.410 53.431 52.037 -0.027 0.000 0.622 283 A CB -0.910 18.057 19.000 -0.055 0.000 0.831 283 A HN 0.457 nan 8.150 nan 0.000 0.444 284 L N -1.246 119.975 121.223 -0.003 0.000 2.275 284 L HA -0.111 4.229 4.340 -0.000 0.000 0.215 284 L C 0.671 177.537 176.870 -0.006 0.000 1.119 284 L CA 0.753 55.593 54.840 0.000 0.000 0.790 284 L CB -0.369 41.683 42.059 -0.012 0.000 0.919 284 L HN 0.651 nan 8.230 nan 0.000 0.443 285 N N 0.212 118.907 118.700 -0.009 0.000 2.725 285 N HA -0.179 4.561 4.740 -0.000 0.000 0.256 285 N C -1.110 174.393 175.510 -0.011 0.000 1.087 285 N CA 0.651 53.697 53.050 -0.008 0.000 0.690 285 N CB -0.790 37.694 38.487 -0.005 0.000 0.891 285 N HN 0.109 nan 8.380 nan 0.000 0.553 286 V N 2.826 122.731 119.914 -0.015 0.000 2.882 286 V HA 0.291 4.411 4.120 -0.000 0.000 0.295 286 V C -0.429 175.653 176.094 -0.019 0.000 1.273 286 V CA -0.666 61.622 62.300 -0.019 0.000 0.949 286 V CB 1.616 33.422 31.823 -0.028 0.000 1.071 286 V HN 0.521 nan 8.190 nan 0.000 0.432 287 N N 4.962 123.652 118.700 -0.016 0.000 1.990 287 N HA -0.156 4.584 4.740 -0.000 0.000 0.291 287 N C 0.759 176.260 175.510 -0.015 0.000 1.249 287 N CA 1.132 54.174 53.050 -0.013 0.000 0.808 287 N CB 0.667 39.146 38.487 -0.013 0.000 1.040 287 N HN 0.860 nan 8.380 nan 0.000 0.484 288 E N 1.785 121.980 120.200 -0.009 0.000 2.147 288 E HA -0.319 4.031 4.350 -0.000 0.000 0.199 288 E C 2.029 178.622 176.600 -0.012 0.000 1.005 288 E CA 2.276 58.672 56.400 -0.005 0.000 0.810 288 E CB -0.384 29.317 29.700 0.001 0.000 0.736 288 E HN 0.930 nan 8.360 nan 0.000 0.460 289 E N 1.160 121.352 120.200 -0.014 0.000 2.118 289 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 289 E C 2.062 178.645 176.600 -0.028 0.000 0.992 289 E CA 1.934 58.323 56.400 -0.018 0.000 0.804 289 E CB -1.231 28.459 29.700 -0.016 0.000 0.741 289 E HN 0.428 nan 8.360 nan 0.000 0.458 290 T N -0.056 114.476 114.554 -0.035 0.000 2.735 290 T HA 0.231 4.581 4.350 -0.000 0.000 0.256 290 T C 2.482 177.138 174.700 -0.075 0.000 1.042 290 T CA 1.417 63.486 62.100 -0.052 0.000 1.147 290 T CB -0.631 68.207 68.868 -0.049 0.000 0.865 290 T HN 0.633 nan 8.240 nan 0.000 0.421 291 A N 2.317 125.094 122.820 -0.072 0.000 2.159 291 A HA -0.250 4.070 4.320 -0.000 0.000 0.222 291 A C 2.337 179.883 177.584 -0.063 0.000 1.163 291 A CA 2.189 54.174 52.037 -0.086 0.000 0.664 291 A CB -0.820 18.156 19.000 -0.041 0.000 0.803 291 A HN 0.673 nan 8.150 nan 0.000 0.470 292 R N -0.581 119.894 120.500 -0.041 0.000 2.052 292 R HA -0.092 4.248 4.340 -0.000 0.000 0.226 292 R C 1.937 178.224 176.300 -0.023 0.000 1.145 292 R CA 1.326 57.414 56.100 -0.019 0.000 0.952 292 R CB -0.667 29.630 30.300 -0.005 0.000 0.847 292 R HN 0.330 nan 8.270 nan 0.000 0.431 293 N N 1.051 119.730 118.700 -0.035 0.000 2.139 293 N HA -0.232 4.508 4.740 -0.000 0.000 0.199 293 N C 1.800 177.254 175.510 -0.094 0.000 1.003 293 N CA 2.058 55.074 53.050 -0.057 0.000 0.892 293 N CB -0.297 38.150 38.487 -0.067 0.000 1.039 293 N HN 0.337 nan 8.380 nan 0.000 0.461 294 L N 1.062 122.180 121.223 -0.175 0.000 2.013 294 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 294 L C 2.109 178.941 176.870 -0.062 0.000 1.073 294 L CA 1.431 56.102 54.840 -0.282 0.000 0.753 294 L CB -0.599 41.038 42.059 -0.704 0.000 0.890 294 L HN 0.354 nan 8.230 nan 0.000 0.432 295 Q N 0.662 120.458 119.800 -0.007 0.000 2.515 295 Q HA 0.042 4.382 4.340 -0.000 0.000 0.212 295 Q C 1.133 177.159 176.000 0.044 0.000 0.970 295 Q CA 0.488 56.335 55.803 0.074 0.000 0.941 295 Q CB -0.536 28.257 28.738 0.091 0.000 0.998 295 Q HN 0.518 nan 8.270 nan 0.000 0.518 296 G N 2.336 111.143 108.800 0.012 0.000 2.216 296 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.263 296 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.263 296 G C 0.352 175.249 174.900 -0.004 0.000 0.837 296 G CA 0.703 45.802 45.100 -0.001 0.000 1.227 296 G HN 0.512 nan 8.290 nan 0.000 0.407 297 Q N -0.125 119.672 119.800 -0.005 0.000 2.302 297 Q HA -0.044 4.296 4.340 -0.000 0.000 0.202 297 Q C 2.002 177.992 176.000 -0.016 0.000 0.936 297 Q CA 1.189 56.986 55.803 -0.009 0.000 0.886 297 Q CB 0.085 28.820 28.738 -0.004 0.000 0.986 297 Q HN 0.803 nan 8.270 nan 0.000 0.487 298 N N -0.224 118.466 118.700 -0.016 0.000 2.268 298 N HA -0.019 4.720 4.740 -0.000 0.000 0.204 298 N C -0.592 174.903 175.510 -0.024 0.000 1.124 298 N CA 0.097 53.136 53.050 -0.019 0.000 0.838 298 N CB 0.301 38.778 38.487 -0.017 0.000 0.994 298 N HN -0.002 nan 8.380 nan 0.000 0.489 299 D N 0.858 121.241 120.400 -0.027 0.000 2.347 299 D HA 0.050 4.689 4.640 -0.000 0.000 0.235 299 D C -0.905 175.370 176.300 -0.041 0.000 1.149 299 D CA -0.140 53.840 54.000 -0.033 0.000 0.850 299 D CB 0.323 41.102 40.800 -0.034 0.000 1.061 299 D HN 0.162 nan 8.370 nan 0.000 0.487 300 N N 4.323 123.000 118.700 -0.039 0.000 2.990 300 N HA 0.147 4.887 4.740 -0.000 0.000 0.288 300 N C 0.350 175.832 175.510 -0.047 0.000 1.624 300 N CA -0.148 52.876 53.050 -0.044 0.000 0.961 300 N CB 0.438 38.903 38.487 -0.036 0.000 1.259 300 N HN 0.424 nan 8.380 nan 0.000 0.489 301 R N 0.423 120.888 120.500 -0.057 0.000 2.551 301 R HA 0.192 4.532 4.340 -0.000 0.000 0.202 301 R C -0.473 175.779 176.300 -0.079 0.000 0.861 301 R CA -0.311 55.754 56.100 -0.057 0.000 1.018 301 R CB 0.302 30.575 30.300 -0.045 0.000 1.435 301 R HN 0.216 nan 8.270 nan 0.000 0.659 302 N N 0.647 119.281 118.700 -0.110 0.000 5.617 302 N HA -0.166 4.574 4.740 -0.000 0.000 0.380 302 N C 0.490 175.893 175.510 -0.178 0.000 1.335 302 N CA 0.833 53.785 53.050 -0.163 0.000 2.459 302 N CB -0.286 38.117 38.487 -0.140 0.000 0.592 302 N HN 0.119 nan 8.380 nan 0.000 0.666 303 Q N -0.096 119.533 119.800 -0.285 0.000 2.195 303 Q HA -0.256 4.084 4.340 -0.000 0.000 0.220 303 Q C 0.597 176.587 176.000 -0.017 0.000 1.070 303 Q CA 2.237 57.905 55.803 -0.225 0.000 0.945 303 Q CB -0.791 27.838 28.738 -0.181 0.000 1.085 303 Q HN 0.807 nan 8.270 nan 0.000 0.452 304 I N 1.924 122.463 120.570 -0.051 0.000 2.331 304 I HA 0.250 4.420 4.170 -0.000 0.000 0.292 304 I C 0.153 176.277 176.117 0.012 0.000 0.998 304 I CA -0.789 60.515 61.300 0.007 0.000 1.267 304 I CB 0.922 38.898 38.000 -0.039 0.000 1.386 304 I HN 0.026 nan 8.210 nan 0.000 0.476 305 I N 4.469 125.071 120.570 0.053 0.000 2.822 305 I HA 0.327 4.497 4.170 -0.000 0.000 0.312 305 I C 0.017 176.173 176.117 0.065 0.000 1.011 305 I CA -0.822 60.503 61.300 0.041 0.000 1.105 305 I CB 1.495 39.516 38.000 0.035 0.000 1.291 305 I HN 0.546 nan 8.210 nan 0.000 0.474 306 Q N 2.615 122.443 119.800 0.046 0.000 2.290 306 Q HA 0.520 4.860 4.340 -0.000 0.000 0.259 306 Q C -1.381 174.660 176.000 0.068 0.000 0.941 306 Q CA -0.385 55.452 55.803 0.057 0.000 0.912 306 Q CB 1.435 30.190 28.738 0.029 0.000 1.244 306 Q HN 0.421 nan 8.270 nan 0.000 0.441 307 V N 3.767 123.749 119.914 0.114 0.000 2.716 307 V HA 0.434 4.554 4.120 -0.000 0.000 0.304 307 V C 0.113 176.245 176.094 0.063 0.000 1.053 307 V CA -0.987 61.370 62.300 0.095 0.000 0.984 307 V CB 1.367 33.286 31.823 0.161 0.000 1.021 307 V HN 0.739 nan 8.190 nan 0.000 0.467 308 R N 2.895 123.412 120.500 0.029 0.000 2.498 308 R HA 0.373 4.713 4.340 -0.000 0.000 0.334 308 R C 0.960 177.277 176.300 0.029 0.000 1.106 308 R CA 1.201 57.312 56.100 0.018 0.000 0.995 308 R CB -0.908 29.392 30.300 -0.001 0.000 0.989 308 R HN 1.167 nan 8.270 nan 0.000 0.455 309 G N 3.551 112.374 108.800 0.038 0.000 2.629 309 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.313 309 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.313 309 G C -0.307 174.637 174.900 0.073 0.000 1.217 309 G CA 0.394 45.520 45.100 0.043 0.000 0.994 309 G HN 0.662 nan 8.290 nan 0.000 0.549 310 N N 0.508 119.244 118.700 0.059 0.000 2.456 310 N HA 0.561 5.301 4.740 -0.000 0.000 0.288 310 N C -0.263 175.275 175.510 0.048 0.000 1.059 310 N CA -0.511 52.590 53.050 0.085 0.000 0.946 310 N CB 1.464 39.979 38.487 0.047 0.000 1.150 310 N HN 0.680 nan 8.380 nan 0.000 0.479 311 L N 2.188 123.451 121.223 0.067 0.000 2.290 311 L HA 0.413 4.753 4.340 -0.000 0.000 0.284 311 L C -0.653 176.134 176.870 -0.138 0.000 1.078 311 L CA 0.058 54.821 54.840 -0.127 0.000 0.815 311 L CB 0.501 42.198 42.059 -0.603 0.000 1.162 311 L HN 0.356 nan 8.230 nan 0.000 0.435 312 D N 4.824 125.151 120.400 -0.121 0.000 2.502 312 D HA 0.584 5.224 4.640 -0.000 0.000 0.249 312 D C -0.612 175.656 176.300 -0.053 0.000 1.092 312 D CA 0.185 54.074 54.000 -0.186 0.000 0.839 312 D CB 1.257 42.001 40.800 -0.093 0.000 1.264 312 D HN 0.384 nan 8.370 nan 0.000 0.511 313 F N -0.638 119.335 119.950 0.039 0.000 3.578 313 F HA 0.529 5.056 4.527 -0.000 0.000 0.328 313 F C -0.721 175.210 175.800 0.219 0.000 1.214 313 F CA -1.051 57.011 58.000 0.103 0.000 0.929 313 F CB 0.347 39.338 39.000 -0.015 0.000 1.612 313 F HN -0.068 nan 8.300 nan 0.000 0.524 314 V N 2.018 122.485 119.914 0.922 0.000 2.221 314 V HA 0.302 4.422 4.120 -0.000 0.000 0.258 314 V C -0.222 176.245 176.094 0.622 0.000 1.179 314 V CA -0.086 62.546 62.300 0.552 0.000 1.022 314 V CB -0.112 31.930 31.823 0.365 0.000 1.228 314 V HN 0.622 nan 8.190 nan 0.000 0.487 315 Q N 5.613 125.586 119.800 0.289 0.000 2.256 315 Q HA 0.461 4.801 4.340 -0.000 0.000 0.232 315 Q C -1.820 174.240 176.000 0.101 0.000 0.965 315 Q CA -1.328 54.642 55.803 0.278 0.000 0.908 315 Q CB 1.638 30.349 28.738 -0.046 0.000 1.209 315 Q HN 0.424 nan 8.270 nan 0.000 0.489 316 P HA 0.369 nan 4.420 nan 0.000 0.325 316 P C -2.483 174.815 177.300 -0.004 0.000 1.658 316 P CA -0.705 62.382 63.100 -0.022 0.000 1.429 316 P CB 0.533 32.155 31.700 -0.130 0.000 1.663 317 P HA 0.250 nan 4.420 nan 0.000 0.268 317 P C 0.247 177.544 177.300 -0.005 0.000 1.205 317 P CA 0.293 63.400 63.100 0.012 0.000 0.771 317 P CB 0.463 32.174 31.700 0.018 0.000 0.858 350 E N 1.658 121.835 120.200 -0.037 0.000 2.452 350 E HA -0.206 4.144 4.350 -0.000 0.000 0.155 350 E C 0.358 176.924 176.600 -0.056 0.000 1.746 350 E CA 1.316 57.675 56.400 -0.068 0.000 0.636 350 E CB -1.039 28.655 29.700 -0.009 0.000 1.069 350 E HN 0.785 nan 8.360 nan 0.000 0.335 351 E N -1.083 119.065 120.200 -0.086 0.000 2.442 351 E HA -0.020 4.330 4.350 -0.000 0.000 0.195 351 E C 1.544 178.084 176.600 -0.101 0.000 1.030 351 E CA 1.040 57.404 56.400 -0.061 0.000 0.869 351 E CB 0.252 29.917 29.700 -0.059 0.000 0.857 351 E HN 0.709 nan 8.360 nan 0.000 0.505 352 T N -1.237 113.195 114.554 -0.203 0.000 3.074 352 T HA 0.029 4.379 4.350 -0.000 0.000 0.181 352 T C 1.584 176.155 174.700 -0.214 0.000 0.714 352 T CA -0.089 61.816 62.100 -0.325 0.000 2.341 352 T CB -0.970 67.457 68.868 -0.736 0.000 2.346 352 T HN 0.016 nan 8.240 nan 0.000 0.391 353 F N 1.375 121.276 119.950 -0.082 0.000 2.027 353 F HA -0.152 4.375 4.527 -0.000 0.000 0.297 353 F C 3.199 178.904 175.800 -0.159 0.000 1.129 353 F CA 1.036 58.953 58.000 -0.138 0.000 1.195 353 F CB -1.200 37.710 39.000 -0.149 0.000 0.960 353 F HN 0.350 nan 8.300 nan 0.000 0.485 354 c N -0.211 118.442 118.600 0.089 0.000 2.400 354 c HA -0.135 4.435 4.570 -0.000 0.000 0.291 354 c C 1.967 176.124 174.090 0.112 0.000 1.372 354 c CA 1.052 57.432 56.329 0.085 0.000 1.800 354 c CB -1.521 41.056 42.510 0.113 0.000 1.869 354 c HN 0.329 nan 8.230 nan 0.000 0.533 355 S N 0.468 116.200 115.700 0.054 0.000 2.624 355 S HA 0.291 4.761 4.470 -0.000 0.000 0.246 355 S C 0.329 174.958 174.600 0.050 0.000 1.072 355 S CA -0.438 57.803 58.200 0.069 0.000 1.045 355 S CB -0.299 62.928 63.200 0.046 0.000 0.851 355 S HN 0.662 nan 8.310 nan 0.000 0.480 356 L N -0.010 121.225 121.223 0.020 0.000 2.482 356 L HA 0.444 4.784 4.340 -0.000 0.000 0.273 356 L C 0.291 177.191 176.870 0.049 0.000 1.228 356 L CA -0.738 54.107 54.840 0.009 0.000 0.827 356 L CB 0.430 42.455 42.059 -0.058 0.000 1.099 356 L HN 0.006 nan 8.230 nan 0.000 0.494 357 R N 1.128 121.653 120.500 0.041 0.000 2.390 357 R HA 0.329 4.669 4.340 -0.000 0.000 0.291 357 R C 0.169 176.502 176.300 0.056 0.000 1.070 357 R CA -0.428 55.701 56.100 0.048 0.000 1.014 357 R CB 0.858 31.180 30.300 0.036 0.000 1.007 357 R HN 0.710 nan 8.270 nan 0.000 0.466 358 L N 3.468 124.725 121.223 0.057 0.000 2.817 358 L HA 0.234 4.574 4.340 -0.000 0.000 0.248 358 L C -0.507 176.373 176.870 0.016 0.000 1.133 358 L CA 0.594 55.465 54.840 0.051 0.000 0.935 358 L CB 0.083 42.182 42.059 0.067 0.000 1.266 358 L HN 0.577 nan 8.230 nan 0.000 0.535 359 K N -1.194 119.214 120.400 0.014 0.000 2.536 359 K HA 0.712 5.032 4.320 -0.000 0.000 0.269 359 K C -0.980 175.631 176.600 0.017 0.000 0.965 359 K CA -0.801 55.488 56.287 0.004 0.000 0.860 359 K CB 2.446 34.933 32.500 -0.022 0.000 1.423 359 K HN -0.121 nan 8.250 nan 0.000 0.438 360 E N 1.129 121.342 120.200 0.023 0.000 2.321 360 E HA 0.221 4.571 4.350 -0.000 0.000 0.278 360 E C -1.777 174.844 176.600 0.035 0.000 0.902 360 E CA -0.798 55.622 56.400 0.032 0.000 0.758 360 E CB 1.812 31.539 29.700 0.046 0.000 1.213 360 E HN 0.660 nan 8.360 nan 0.000 0.426 361 N N 4.232 122.950 118.700 0.029 0.000 2.462 361 N HA 0.244 4.984 4.740 -0.000 0.000 0.242 361 N C 0.201 175.748 175.510 0.061 0.000 1.010 361 N CA -0.347 52.721 53.050 0.030 0.000 0.939 361 N CB 0.605 39.098 38.487 0.010 0.000 1.127 361 N HN 0.562 nan 8.380 nan 0.000 0.509 362 I N 0.730 121.366 120.570 0.110 0.000 3.856 362 I HA 0.512 4.682 4.170 -0.000 0.000 0.333 362 I C 0.936 177.144 176.117 0.152 0.000 1.525 362 I CA -0.533 60.841 61.300 0.124 0.000 1.173 362 I CB 0.481 38.572 38.000 0.151 0.000 1.175 362 I HN 0.491 nan 8.210 nan 0.000 0.424 363 G N 2.242 111.128 108.800 0.144 0.000 2.556 363 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.209 363 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.209 363 G C 0.714 175.679 174.900 0.110 0.000 1.159 363 G CA -0.048 45.150 45.100 0.163 0.000 0.828 363 G HN 0.562 nan 8.290 nan 0.000 0.553 364 N N 1.733 120.476 118.700 0.071 0.000 2.454 364 N HA 0.107 4.847 4.740 -0.000 0.000 0.254 364 N C -1.987 173.542 175.510 0.032 0.000 1.228 364 N CA -0.813 52.269 53.050 0.053 0.000 0.900 364 N CB 1.716 40.219 38.487 0.027 0.000 1.089 364 N HN -0.081 nan 8.380 nan 0.000 0.449 365 P HA -0.099 nan 4.420 nan 0.000 0.215 365 P C 1.400 178.625 177.300 -0.124 0.000 1.153 365 P CA 2.672 65.744 63.100 -0.047 0.000 0.853 365 P CB -0.123 31.548 31.700 -0.049 0.000 0.788 366 E N 0.644 120.788 120.200 -0.093 0.000 2.219 366 E HA -0.241 4.109 4.350 -0.000 0.000 0.198 366 E C 1.848 178.397 176.600 -0.084 0.000 0.998 366 E CA 1.320 57.660 56.400 -0.101 0.000 0.818 366 E CB -1.311 28.354 29.700 -0.058 0.000 0.741 366 E HN 0.359 nan 8.360 nan 0.000 0.477 367 R N -0.458 120.010 120.500 -0.053 0.000 2.426 367 R HA 0.466 4.806 4.340 -0.000 0.000 0.263 367 R C 0.749 177.030 176.300 -0.032 0.000 0.961 367 R CA 0.222 56.303 56.100 -0.031 0.000 1.086 367 R CB 0.335 30.634 30.300 -0.002 0.000 1.186 367 R HN 0.403 nan 8.270 nan 0.000 0.537 368 A N 0.808 123.588 122.820 -0.067 0.000 2.425 368 A HA 0.031 4.351 4.320 -0.000 0.000 0.242 368 A C -0.050 177.516 177.584 -0.029 0.000 1.077 368 A CA -0.006 51.999 52.037 -0.053 0.000 0.781 368 A CB 0.329 19.272 19.000 -0.096 0.000 1.020 368 A HN 0.159 nan 8.150 nan 0.000 0.494 369 D N -0.094 120.300 120.400 -0.011 0.000 2.422 369 D HA 0.248 4.887 4.640 -0.000 0.000 0.218 369 D C -0.128 176.175 176.300 0.005 0.000 1.047 369 D CA 0.600 54.598 54.000 -0.004 0.000 0.885 369 D CB 0.260 41.057 40.800 -0.005 0.000 1.035 369 D HN 0.501 nan 8.370 nan 0.000 0.502 370 I N 0.239 120.813 120.570 0.006 0.000 2.608 370 I HA 0.462 4.632 4.170 -0.000 0.000 0.295 370 I C -1.459 174.707 176.117 0.081 0.000 1.049 370 I CA -1.138 60.165 61.300 0.005 0.000 1.063 370 I CB 2.427 40.390 38.000 -0.062 0.000 1.248 370 I HN -0.225 nan 8.210 nan 0.000 0.424 371 F N 4.621 124.493 119.950 -0.129 0.000 2.669 371 F HA 0.553 5.080 4.527 -0.000 0.000 0.315 371 F C -1.451 174.284 175.800 -0.108 0.000 1.109 371 F CA -0.316 57.600 58.000 -0.141 0.000 1.028 371 F CB 1.787 40.730 39.000 -0.095 0.000 1.287 371 F HN 0.312 nan 8.300 nan 0.000 0.452 372 S N 6.966 122.049 115.700 -1.028 0.000 2.750 372 S HA 0.432 4.902 4.470 -0.000 0.000 0.276 372 S C -2.207 171.896 174.600 -0.829 0.000 1.165 372 S CA -1.184 56.497 58.200 -0.865 0.000 1.047 372 S CB 1.672 64.631 63.200 -0.402 0.000 1.056 372 S HN 0.488 nan 8.310 nan 0.000 0.481 373 P HA -0.188 nan 4.420 nan 0.000 0.229 373 P C 0.607 177.911 177.300 0.007 0.000 1.147 373 P CA 1.466 64.410 63.100 -0.260 0.000 0.949 373 P CB 0.174 31.777 31.700 -0.161 0.000 0.786 374 R N -2.379 118.104 120.500 -0.027 0.000 2.609 374 R HA 0.467 4.807 4.340 -0.000 0.000 0.326 374 R C 0.935 177.291 176.300 0.093 0.000 1.090 374 R CA 0.239 56.380 56.100 0.069 0.000 1.072 374 R CB -0.094 30.214 30.300 0.013 0.000 1.330 374 R HN 0.205 nan 8.270 nan 0.000 0.572 375 A N -0.968 121.863 122.820 0.018 0.000 1.949 375 A HA 0.642 4.962 4.320 -0.000 0.000 0.200 375 A C 0.666 177.981 177.584 -0.447 0.000 1.832 375 A CA 0.700 52.670 52.037 -0.112 0.000 1.004 375 A CB 0.644 19.538 19.000 -0.176 0.000 1.102 375 A HN 0.334 nan 8.150 nan 0.000 0.595 376 G N -0.699 107.611 108.800 -0.815 0.000 2.324 376 G HA2 0.492 4.451 3.960 -0.000 0.000 0.293 376 G HA3 0.492 4.451 3.960 -0.000 0.000 0.293 376 G C -1.615 172.822 174.900 -0.773 0.000 1.297 376 G CA -0.322 43.985 45.100 -1.322 0.000 0.853 376 G HN 0.983 nan 8.290 nan 0.000 0.535 377 R N -0.509 119.645 120.500 -0.577 0.000 2.574 377 R HA 0.755 5.095 4.340 -0.000 0.000 0.288 377 R C -1.254 174.935 176.300 -0.184 0.000 1.004 377 R CA -0.959 55.047 56.100 -0.156 0.000 0.895 377 R CB 1.904 32.248 30.300 0.073 0.000 1.191 377 R HN 0.448 nan 8.270 nan 0.000 0.444 378 I N 2.096 122.581 120.570 -0.141 0.000 2.404 378 I HA 0.304 4.474 4.170 -0.000 0.000 0.293 378 I C -0.413 175.682 176.117 -0.037 0.000 0.992 378 I CA -0.955 60.291 61.300 -0.090 0.000 1.149 378 I CB 2.375 40.305 38.000 -0.115 0.000 1.315 378 I HN 0.676 nan 8.210 nan 0.000 0.446 379 S N 3.518 119.207 115.700 -0.019 0.000 2.519 379 S HA 0.465 4.935 4.470 -0.000 0.000 0.309 379 S C -0.272 174.339 174.600 0.018 0.000 1.100 379 S CA -0.530 57.671 58.200 0.002 0.000 1.059 379 S CB 1.900 65.108 63.200 0.013 0.000 1.008 379 S HN 0.541 nan 8.310 nan 0.000 0.478 380 T N 3.905 118.473 114.554 0.025 0.000 2.895 380 T HA 0.552 4.902 4.350 -0.000 0.000 0.283 380 T C -1.076 173.649 174.700 0.042 0.000 1.014 380 T CA -0.503 61.617 62.100 0.033 0.000 1.037 380 T CB 0.689 69.577 68.868 0.033 0.000 1.006 380 T HN 0.391 nan 8.240 nan 0.000 0.468 381 L N 4.770 126.017 121.223 0.041 0.000 2.406 381 L HA 0.555 4.895 4.340 -0.000 0.000 0.270 381 L C -1.104 175.788 176.870 0.036 0.000 0.982 381 L CA -0.469 54.402 54.840 0.051 0.000 0.843 381 L CB 0.954 43.059 42.059 0.077 0.000 1.225 381 L HN 0.953 nan 8.230 nan 0.000 0.412 382 N N 0.781 119.510 118.700 0.048 0.000 3.439 382 N HA 0.303 5.043 4.740 -0.000 0.000 0.313 382 N C 0.312 175.827 175.510 0.008 0.000 1.598 382 N CA -0.445 52.624 53.050 0.031 0.000 0.830 382 N CB 0.419 38.942 38.487 0.060 0.000 1.849 382 N HN 0.121 nan 8.380 nan 0.000 0.598 383 S N -1.117 114.548 115.700 -0.058 0.000 2.402 383 S HA -0.186 4.284 4.470 -0.000 0.000 0.233 383 S C 1.030 175.516 174.600 -0.190 0.000 1.030 383 S CA 1.099 59.211 58.200 -0.148 0.000 1.003 383 S CB -0.815 62.237 63.200 -0.247 0.000 0.813 383 S HN 0.461 nan 8.310 nan 0.000 0.477 384 H N 0.812 119.887 119.070 0.007 0.000 2.559 384 H HA 0.173 4.729 4.556 -0.000 0.000 0.273 384 H C 1.237 176.569 175.328 0.007 0.000 1.000 384 H CA 0.636 56.686 56.048 0.003 0.000 1.195 384 H CB 0.061 29.819 29.762 -0.006 0.000 1.368 384 H HN 0.423 nan 8.280 nan 0.000 0.592 385 N N 0.060 118.812 118.700 0.086 0.000 2.672 385 N HA 0.015 4.755 4.740 -0.000 0.000 0.229 385 N C 0.154 175.688 175.510 0.040 0.000 1.043 385 N CA -0.014 53.075 53.050 0.064 0.000 0.932 385 N CB 0.879 39.405 38.487 0.064 0.000 1.500 385 N HN 0.087 nan 8.380 nan 0.000 0.445 386 L N 2.646 123.887 121.223 0.030 0.000 2.372 386 L HA 0.454 4.794 4.340 -0.000 0.000 0.273 386 L C -2.129 174.752 176.870 0.018 0.000 0.989 386 L CA -1.719 53.137 54.840 0.027 0.000 0.841 386 L CB 2.189 44.269 42.059 0.036 0.000 1.225 386 L HN -0.167 nan 8.230 nan 0.000 0.414 387 P HA -0.208 nan 4.420 nan 0.000 0.216 387 P C 1.543 178.870 177.300 0.045 0.000 1.157 387 P CA 1.589 64.701 63.100 0.020 0.000 0.880 387 P CB 0.035 31.749 31.700 0.023 0.000 0.791 388 I N -1.696 118.909 120.570 0.059 0.000 2.335 388 I HA -0.197 3.973 4.170 -0.000 0.000 0.251 388 I C 2.229 178.399 176.117 0.088 0.000 1.129 388 I CA 1.484 62.845 61.300 0.101 0.000 1.402 388 I CB -2.131 35.920 38.000 0.085 0.000 1.069 388 I HN 0.025 nan 8.210 nan 0.000 0.424 389 L N 0.351 121.598 121.223 0.041 0.000 2.187 389 L HA -0.190 4.150 4.340 -0.000 0.000 0.213 389 L C 2.851 179.726 176.870 0.009 0.000 1.100 389 L CA 1.164 56.009 54.840 0.009 0.000 0.765 389 L CB -0.666 41.388 42.059 -0.008 0.000 0.904 389 L HN 0.266 nan 8.230 nan 0.000 0.437 390 R N 0.615 121.133 120.500 0.031 0.000 2.082 390 R HA -0.202 4.137 4.340 -0.000 0.000 0.234 390 R C 1.021 177.385 176.300 0.107 0.000 1.136 390 R CA 1.399 57.522 56.100 0.039 0.000 0.935 390 R CB -0.197 30.123 30.300 0.032 0.000 0.842 390 R HN 0.197 nan 8.270 nan 0.000 0.430 391 F N 1.418 121.379 119.950 0.019 0.000 2.567 391 F HA 0.274 4.801 4.527 -0.000 0.000 0.352 391 F C -0.397 175.488 175.800 0.141 0.000 1.229 391 F CA -0.261 57.781 58.000 0.070 0.000 1.228 391 F CB 0.484 39.492 39.000 0.013 0.000 1.568 391 F HN 0.132 nan 8.300 nan 0.000 0.634 392 L N 2.929 124.055 121.223 -0.161 0.000 2.195 392 L HA -0.007 4.332 4.340 -0.000 0.000 0.517 392 L C 0.301 177.142 176.870 -0.048 0.000 0.769 392 L CA 0.067 54.826 54.840 -0.134 0.000 2.004 392 L CB -0.642 41.344 42.059 -0.121 0.000 1.398 392 L HN 0.372 nan 8.230 nan 0.000 0.417 393 R N 0.320 120.791 120.500 -0.049 0.000 2.955 393 R HA -0.114 4.226 4.340 -0.000 0.000 0.239 393 R C -0.774 175.472 176.300 -0.090 0.000 0.848 393 R CA 0.583 56.654 56.100 -0.049 0.000 0.586 393 R CB -2.073 28.205 30.300 -0.037 0.000 1.098 393 R HN 0.208 nan 8.270 nan 0.000 0.499 394 L N -0.624 120.531 121.223 -0.114 0.000 2.482 394 L HA 0.573 4.913 4.340 -0.000 0.000 0.263 394 L C -0.135 176.626 176.870 -0.182 0.000 0.957 394 L CA -0.341 54.367 54.840 -0.220 0.000 0.836 394 L CB 2.379 44.327 42.059 -0.186 0.000 1.324 394 L HN 0.428 nan 8.230 nan 0.000 0.406 395 S N 1.464 117.012 115.700 -0.253 0.000 2.651 395 S HA 1.055 5.525 4.470 -0.000 0.000 0.279 395 S C -0.822 173.648 174.600 -0.217 0.000 1.148 395 S CA -0.198 57.909 58.200 -0.156 0.000 0.837 395 S CB 2.161 65.306 63.200 -0.092 0.000 1.138 395 S HN 0.990 nan 8.310 nan 0.000 0.478 396 A N 0.116 122.866 122.820 -0.117 0.000 2.524 396 A HA 0.939 5.259 4.320 -0.000 0.000 0.289 396 A C -1.193 176.322 177.584 -0.116 0.000 1.248 396 A CA -0.690 51.246 52.037 -0.167 0.000 0.712 396 A CB 1.579 20.570 19.000 -0.014 0.000 1.312 396 A HN 1.017 nan 8.150 nan 0.000 0.441 397 E N -0.746 119.329 120.200 -0.209 0.000 2.352 397 E HA 0.564 4.914 4.350 -0.000 0.000 0.280 397 E C -1.618 174.880 176.600 -0.170 0.000 0.930 397 E CA -0.700 55.646 56.400 -0.090 0.000 0.765 397 E CB 1.803 31.519 29.700 0.027 0.000 1.219 397 E HN 0.626 nan 8.360 nan 0.000 0.434 398 R N 2.478 122.901 120.500 -0.129 0.000 2.500 398 R HA 0.606 4.946 4.340 -0.000 0.000 0.299 398 R C -1.395 174.684 176.300 -0.368 0.000 1.038 398 R CA -0.243 55.694 56.100 -0.271 0.000 0.903 398 R CB 1.289 31.584 30.300 -0.009 0.000 1.177 398 R HN 0.492 nan 8.270 nan 0.000 0.455 399 G N 2.370 110.625 108.800 -0.910 0.000 2.600 399 G HA2 0.640 4.599 3.960 -0.000 0.000 0.303 399 G HA3 0.640 4.599 3.960 -0.000 0.000 0.303 399 G C -1.663 173.107 174.900 -0.217 0.000 1.253 399 G CA -0.775 44.037 45.100 -0.480 0.000 0.974 399 G HN 0.482 nan 8.290 nan 0.000 0.483 400 F N 1.017 120.916 119.950 -0.085 0.000 2.941 400 F HA 0.496 5.023 4.527 -0.000 0.000 0.359 400 F C -1.523 174.215 175.800 -0.104 0.000 1.231 400 F CA -1.123 56.888 58.000 0.019 0.000 1.089 400 F CB 1.177 40.184 39.000 0.011 0.000 1.407 400 F HN 0.274 nan 8.300 nan 0.000 0.538 401 F N 5.300 125.568 119.950 0.531 0.000 2.408 401 F HA 0.396 4.923 4.527 -0.000 0.000 0.344 401 F C -0.286 175.689 175.800 0.292 0.000 1.112 401 F CA -0.493 57.633 58.000 0.210 0.000 1.096 401 F CB 0.653 39.866 39.000 0.355 0.000 1.129 401 F HN 0.271 nan 8.300 nan 0.000 0.486 402 Y N 0.909 121.339 120.300 0.216 0.000 2.281 402 Y HA 0.350 4.900 4.550 -0.000 0.000 0.337 402 Y C 0.614 176.630 175.900 0.193 0.000 1.304 402 Y CA -1.687 56.485 58.100 0.119 0.000 1.465 402 Y CB 0.189 38.621 38.460 -0.048 0.000 1.350 402 Y HN 0.378 nan 8.280 nan 0.000 0.575 403 R N 1.800 122.502 120.500 0.337 0.000 3.752 403 R HA -0.212 4.128 4.340 -0.000 0.000 0.227 403 R C -0.239 176.180 176.300 0.198 0.000 0.592 403 R CA 0.718 56.950 56.100 0.220 0.000 0.981 403 R CB -1.702 28.683 30.300 0.141 0.000 0.973 403 R HN 0.708 nan 8.270 nan 0.000 0.330 404 N N -0.685 118.123 118.700 0.180 0.000 2.724 404 N HA -0.232 4.508 4.740 -0.000 0.000 0.293 404 N C 0.074 175.680 175.510 0.160 0.000 1.090 404 N CA 1.072 54.205 53.050 0.139 0.000 0.793 404 N CB -0.719 37.817 38.487 0.082 0.000 0.958 404 N HN 0.764 nan 8.380 nan 0.000 0.575 405 G N -0.338 108.607 108.800 0.242 0.000 2.552 405 G HA2 0.807 4.767 3.960 -0.000 0.000 0.324 405 G HA3 0.807 4.767 3.960 -0.000 0.000 0.324 405 G C -0.559 174.517 174.900 0.294 0.000 1.217 405 G CA -1.100 44.177 45.100 0.294 0.000 0.989 405 G HN 0.415 nan 8.290 nan 0.000 0.490 406 I N 0.109 120.871 120.570 0.319 0.000 2.447 406 I HA 0.147 4.317 4.170 -0.000 0.000 0.287 406 I C -1.316 175.011 176.117 0.351 0.000 1.023 406 I CA -0.774 60.650 61.300 0.206 0.000 1.083 406 I CB 2.313 40.392 38.000 0.131 0.000 1.245 406 I HN 0.412 nan 8.210 nan 0.000 0.434 407 Y N 6.745 126.977 120.300 -0.113 0.000 2.616 407 Y HA 0.154 4.703 4.550 -0.000 0.000 0.350 407 Y C 1.018 176.968 175.900 0.084 0.000 1.119 407 Y CA -0.285 57.806 58.100 -0.014 0.000 1.467 407 Y CB 0.077 38.290 38.460 -0.413 0.000 1.287 407 Y HN 0.625 nan 8.280 nan 0.000 0.504 408 S N 7.627 123.563 115.700 0.393 0.000 2.952 408 S HA -0.085 4.385 4.470 -0.000 0.000 0.351 408 S C -2.455 172.363 174.600 0.364 0.000 1.211 408 S CA -0.875 57.496 58.200 0.286 0.000 1.002 408 S CB 0.062 63.382 63.200 0.199 0.000 0.702 408 S HN 0.522 nan 8.310 nan 0.000 0.495 409 P HA 0.135 nan 4.420 nan 0.000 0.258 409 P C -0.419 177.072 177.300 0.319 0.000 1.187 409 P CA 0.506 63.741 63.100 0.226 0.000 0.767 409 P CB 0.158 31.941 31.700 0.138 0.000 0.770 410 H N 1.489 120.623 119.070 0.107 0.000 2.942 410 H HA 0.662 5.218 4.556 -0.000 0.000 0.316 410 H C -1.584 173.858 175.328 0.189 0.000 1.323 410 H CA -1.092 55.031 56.048 0.124 0.000 1.144 410 H CB 0.969 30.756 29.762 0.042 0.000 1.866 410 H HN 0.539 nan 8.280 nan 0.000 0.545 411 W N 1.033 122.287 121.300 -0.075 0.000 3.042 411 W HA 0.486 5.146 4.660 -0.000 0.000 0.337 411 W C -1.536 174.923 176.519 -0.099 0.000 1.086 411 W CA -0.863 56.382 57.345 -0.167 0.000 1.236 411 W CB 0.874 30.255 29.460 -0.131 0.000 1.381 411 W HN 0.357 nan 8.180 nan 0.000 0.472 412 N N 2.749 121.436 118.700 -0.022 0.000 2.454 412 N HA -0.010 4.730 4.740 -0.000 0.000 0.260 412 N C 0.862 176.283 175.510 -0.148 0.000 1.218 412 N CA 0.316 53.290 53.050 -0.128 0.000 0.904 412 N CB 2.049 40.480 38.487 -0.094 0.000 1.065 412 N HN 0.547 nan 8.380 nan 0.000 0.462 413 V N 2.874 122.529 119.914 -0.431 0.000 2.374 413 V HA -0.116 4.004 4.120 -0.000 0.000 0.241 413 V C 1.419 177.318 176.094 -0.325 0.000 1.034 413 V CA 1.554 63.595 62.300 -0.432 0.000 1.037 413 V CB -0.354 30.895 31.823 -0.958 0.000 0.682 413 V HN 0.811 nan 8.190 nan 0.000 0.463 414 N N 0.015 118.449 118.700 -0.443 0.000 2.235 414 N HA 0.554 5.294 4.740 -0.000 0.000 0.231 414 N C -0.183 175.184 175.510 -0.237 0.000 1.177 414 N CA 0.420 53.306 53.050 -0.273 0.000 0.874 414 N CB 1.020 39.373 38.487 -0.223 0.000 1.097 414 N HN 0.446 nan 8.380 nan 0.000 0.518 415 A N 0.271 122.936 122.820 -0.258 0.000 2.610 415 A HA 0.424 4.744 4.320 -0.000 0.000 0.291 415 A C -1.627 175.809 177.584 -0.246 0.000 1.086 415 A CA -0.720 51.161 52.037 -0.260 0.000 0.677 415 A CB 0.996 19.870 19.000 -0.211 0.000 1.278 415 A HN 0.259 nan 8.150 nan 0.000 0.414 416 H N 0.293 119.278 119.070 -0.142 0.000 2.505 416 H HA 0.625 5.181 4.556 -0.000 0.000 0.351 416 H C -0.410 174.809 175.328 -0.182 0.000 1.151 416 H CA 0.175 56.136 56.048 -0.145 0.000 1.339 416 H CB 1.841 31.528 29.762 -0.125 0.000 1.483 416 H HN 0.506 nan 8.280 nan 0.000 0.558 417 S N 2.278 117.944 115.700 -0.057 0.000 2.733 417 S HA 0.318 4.788 4.470 -0.000 0.000 0.307 417 S C -0.852 173.603 174.600 -0.241 0.000 1.127 417 S CA -0.701 57.405 58.200 -0.157 0.000 1.097 417 S CB 0.002 63.104 63.200 -0.164 0.000 1.003 417 S HN 0.308 nan 8.310 nan 0.000 0.477 418 V N 6.087 125.870 119.914 -0.218 0.000 2.383 418 V HA 0.482 4.602 4.120 -0.000 0.000 0.275 418 V C -0.088 175.795 176.094 -0.352 0.000 1.036 418 V CA -0.441 61.669 62.300 -0.315 0.000 0.889 418 V CB 1.413 33.093 31.823 -0.239 0.000 0.985 418 V HN 0.701 nan 8.190 nan 0.000 0.459 419 V N 5.202 124.769 119.914 -0.578 0.000 2.581 419 V HA 0.448 4.568 4.120 -0.000 0.000 0.303 419 V C -0.951 175.014 176.094 -0.215 0.000 1.041 419 V CA -0.919 61.082 62.300 -0.499 0.000 0.907 419 V CB 1.755 32.992 31.823 -0.977 0.000 0.994 419 V HN 0.753 nan 8.190 nan 0.000 0.442 420 Y N 3.194 123.446 120.300 -0.080 0.000 2.338 420 Y HA 0.578 5.128 4.550 -0.000 0.000 0.328 420 Y C -0.228 175.736 175.900 0.107 0.000 0.965 420 Y CA -0.906 57.219 58.100 0.042 0.000 1.208 420 Y CB 1.712 40.236 38.460 0.108 0.000 1.132 420 Y HN 0.423 nan 8.280 nan 0.000 0.469 421 V N 9.043 128.699 119.914 -0.429 0.000 2.377 421 V HA -0.052 4.068 4.120 -0.000 0.000 0.254 421 V C 1.458 177.239 176.094 -0.522 0.000 1.060 421 V CA 0.666 62.785 62.300 -0.303 0.000 1.068 421 V CB -0.632 31.209 31.823 0.030 0.000 1.113 421 V HN 0.915 nan 8.190 nan 0.000 0.484 422 I N 3.098 123.482 120.570 -0.310 0.000 2.361 422 I HA -0.032 4.138 4.170 -0.000 0.000 0.251 422 I C 1.282 177.361 176.117 -0.063 0.000 1.133 422 I CA 1.178 62.420 61.300 -0.096 0.000 1.413 422 I CB -0.078 37.913 38.000 -0.016 0.000 1.073 422 I HN 0.540 nan 8.210 nan 0.000 0.424 423 R N -0.604 119.843 120.500 -0.088 0.000 2.858 423 R HA 0.430 4.770 4.340 -0.000 0.000 0.252 423 R C -0.963 175.382 176.300 0.075 0.000 1.063 423 R CA 0.143 56.236 56.100 -0.010 0.000 0.955 423 R CB 1.497 31.773 30.300 -0.040 0.000 1.259 423 R HN 0.261 nan 8.270 nan 0.000 0.477 424 G N 2.253 111.138 108.800 0.143 0.000 2.707 424 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.686 424 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.686 424 G C -1.214 173.864 174.900 0.296 0.000 1.315 424 G CA -0.727 44.513 45.100 0.235 0.000 0.832 424 G HN 0.565 nan 8.290 nan 0.000 0.573 425 N N -0.025 118.801 118.700 0.209 0.000 2.447 425 N HA 0.776 5.516 4.740 -0.000 0.000 0.271 425 N C 0.133 175.565 175.510 -0.131 0.000 1.226 425 N CA 0.427 53.517 53.050 0.067 0.000 0.980 425 N CB 1.773 40.272 38.487 0.020 0.000 1.206 425 N HN 1.982 nan 8.380 nan 0.000 0.558 426 A N 0.582 123.187 122.820 -0.358 0.000 2.483 426 A HA 0.176 4.496 4.320 -0.000 0.000 0.315 426 A C -0.723 176.557 177.584 -0.505 0.000 1.027 426 A CA -0.714 50.904 52.037 -0.699 0.000 0.996 426 A CB 0.616 18.446 19.000 -1.950 0.000 1.288 426 A HN 0.643 nan 8.150 nan 0.000 0.371 427 R N 1.919 122.206 120.500 -0.355 0.000 2.389 427 R HA 0.592 4.932 4.340 -0.000 0.000 0.295 427 R C -1.005 175.094 176.300 -0.334 0.000 1.075 427 R CA 0.044 55.977 56.100 -0.279 0.000 1.005 427 R CB 0.667 30.858 30.300 -0.181 0.000 0.987 427 R HN 0.546 nan 8.270 nan 0.000 0.452 428 V N 4.455 124.161 119.914 -0.345 0.000 2.735 428 V HA 0.335 4.455 4.120 -0.000 0.000 0.310 428 V C -0.746 175.193 176.094 -0.259 0.000 1.061 428 V CA -0.824 61.259 62.300 -0.361 0.000 0.913 428 V CB 2.075 33.537 31.823 -0.602 0.000 1.005 428 V HN 0.803 nan 8.190 nan 0.000 0.428 429 Q N 2.414 122.100 119.800 -0.191 0.000 2.304 429 Q HA 0.699 5.039 4.340 -0.000 0.000 0.270 429 Q C -1.639 174.303 176.000 -0.097 0.000 1.035 429 Q CA -0.599 55.127 55.803 -0.129 0.000 0.781 429 Q CB 3.018 31.698 28.738 -0.097 0.000 1.261 429 Q HN 0.562 nan 8.270 nan 0.000 0.444 430 V N 2.871 122.747 119.914 -0.063 0.000 2.487 430 V HA 0.558 4.678 4.120 -0.000 0.000 0.298 430 V C -0.232 175.877 176.094 0.024 0.000 1.028 430 V CA -0.771 61.522 62.300 -0.012 0.000 0.860 430 V CB 1.680 33.511 31.823 0.013 0.000 0.991 430 V HN 0.605 nan 8.190 nan 0.000 0.427 431 V N 2.468 122.401 119.914 0.031 0.000 2.815 431 V HA 0.827 4.947 4.120 -0.000 0.000 0.314 431 V C -0.393 175.681 176.094 -0.034 0.000 1.064 431 V CA -0.691 61.610 62.300 0.002 0.000 0.952 431 V CB 1.978 33.772 31.823 -0.049 0.000 1.020 431 V HN 0.922 nan 8.190 nan 0.000 0.439 432 N N 1.539 120.170 118.700 -0.115 0.000 2.725 432 N HA 0.324 5.064 4.740 -0.000 0.000 0.312 432 N C 0.995 176.315 175.510 -0.315 0.000 1.295 432 N CA -0.197 52.620 53.050 -0.387 0.000 0.914 432 N CB 0.110 38.479 38.487 -0.198 0.000 1.177 432 N HN 0.790 nan 8.380 nan 0.000 0.601 433 E N -0.605 119.398 120.200 -0.327 0.000 2.187 433 E HA -0.275 4.075 4.350 -0.000 0.000 0.199 433 E C -0.275 176.230 176.600 -0.159 0.000 1.004 433 E CA 1.383 57.645 56.400 -0.231 0.000 0.813 433 E CB -0.640 28.951 29.700 -0.182 0.000 0.736 433 E HN 0.535 nan 8.360 nan 0.000 0.468 434 N N 0.685 119.310 118.700 -0.124 0.000 2.327 434 N HA 0.119 4.859 4.740 -0.000 0.000 0.231 434 N C 0.834 176.299 175.510 -0.076 0.000 1.130 434 N CA 0.669 53.667 53.050 -0.086 0.000 0.845 434 N CB 0.838 39.288 38.487 -0.061 0.000 1.073 434 N HN 0.443 nan 8.380 nan 0.000 0.496 435 G N 0.727 109.471 108.800 -0.093 0.000 2.205 435 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.269 435 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.269 435 G C -0.155 174.712 174.900 -0.055 0.000 0.977 435 G CA 0.412 45.467 45.100 -0.074 0.000 0.652 435 G HN 0.337 nan 8.290 nan 0.000 0.539 436 D N 0.787 121.158 120.400 -0.049 0.000 2.351 436 D HA 0.488 5.128 4.640 -0.000 0.000 0.251 436 D C 0.755 177.041 176.300 -0.023 0.000 1.137 436 D CA 0.653 54.634 54.000 -0.032 0.000 0.879 436 D CB 1.270 42.056 40.800 -0.023 0.000 1.181 436 D HN 0.495 nan 8.370 nan 0.000 0.448 437 A N 3.477 126.284 122.820 -0.022 0.000 2.981 437 A HA 0.040 4.360 4.320 -0.000 0.000 0.280 437 A C 1.626 179.206 177.584 -0.008 0.000 1.743 437 A CA -0.291 51.735 52.037 -0.019 0.000 1.430 437 A CB -1.013 17.968 19.000 -0.033 0.000 1.085 437 A HN 0.772 nan 8.150 nan 0.000 0.597 438 I N 0.723 121.304 120.570 0.018 0.000 2.576 438 I HA -0.164 4.006 4.170 -0.000 0.000 0.263 438 I C 0.077 176.198 176.117 0.007 0.000 1.183 438 I CA 1.271 62.589 61.300 0.030 0.000 1.432 438 I CB 0.072 38.121 38.000 0.081 0.000 1.100 438 I HN 0.512 nan 8.210 nan 0.000 0.452 439 L N 0.567 121.782 121.223 -0.014 0.000 2.639 439 L HA 0.431 4.771 4.340 -0.000 0.000 0.264 439 L C -1.694 175.127 176.870 -0.082 0.000 0.948 439 L CA -0.370 54.443 54.840 -0.045 0.000 0.912 439 L CB 1.428 43.459 42.059 -0.047 0.000 1.294 439 L HN -0.064 nan 8.230 nan 0.000 0.412 440 D N 3.949 124.298 120.400 -0.085 0.000 2.468 440 D HA 0.347 4.987 4.640 -0.000 0.000 0.272 440 D C -0.878 175.356 176.300 -0.109 0.000 1.221 440 D CA 0.102 54.041 54.000 -0.101 0.000 0.860 440 D CB 0.717 41.474 40.800 -0.072 0.000 1.190 440 D HN 0.748 nan 8.370 nan 0.000 0.509 441 Q N 0.058 119.766 119.800 -0.153 0.000 2.882 441 Q HA 0.473 4.813 4.340 -0.000 0.000 0.315 441 Q C -1.012 174.873 176.000 -0.191 0.000 1.004 441 Q CA -0.980 54.739 55.803 -0.141 0.000 0.777 441 Q CB 1.500 30.169 28.738 -0.115 0.000 1.506 441 Q HN 0.060 nan 8.270 nan 0.000 0.489 442 E N 1.699 121.806 120.200 -0.155 0.000 2.063 442 E HA 0.299 4.649 4.350 -0.000 0.000 0.265 442 E C -0.408 176.098 176.600 -0.157 0.000 0.919 442 E CA -0.659 55.638 56.400 -0.172 0.000 0.756 442 E CB 1.388 31.020 29.700 -0.113 0.000 1.120 442 E HN 0.503 nan 8.360 nan 0.000 0.414 443 V N 1.801 121.576 119.914 -0.233 0.000 2.740 443 V HA 0.255 4.375 4.120 -0.000 0.000 0.303 443 V C -0.173 175.926 176.094 0.009 0.000 1.054 443 V CA -0.288 61.935 62.300 -0.128 0.000 1.106 443 V CB 1.205 32.898 31.823 -0.216 0.000 0.957 443 V HN 0.696 nan 8.190 nan 0.000 0.486 444 Q N 1.803 121.648 119.800 0.075 0.000 2.399 444 Q HA 0.376 4.716 4.340 -0.000 0.000 0.276 444 Q C -0.410 175.657 176.000 0.112 0.000 1.098 444 Q CA -0.850 55.013 55.803 0.101 0.000 0.827 444 Q CB 1.950 30.730 28.738 0.070 0.000 1.386 444 Q HN 0.956 nan 8.270 nan 0.000 0.443 445 Q N 0.287 120.144 119.800 0.095 0.000 2.310 445 Q HA 0.061 4.401 4.340 -0.000 0.000 0.315 445 Q C 0.475 176.496 176.000 0.035 0.000 1.081 445 Q CA 1.603 57.428 55.803 0.037 0.000 0.981 445 Q CB -0.107 28.663 28.738 0.054 0.000 1.184 445 Q HN 0.860 nan 8.270 nan 0.000 0.389 446 G N 2.366 111.127 108.800 -0.065 0.000 2.241 446 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.244 446 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.244 446 G C -0.018 175.042 174.900 0.267 0.000 0.998 446 G CA 0.339 45.512 45.100 0.121 0.000 0.621 446 G HN 0.652 nan 8.290 nan 0.000 0.519 447 Q N -0.108 119.785 119.800 0.154 0.000 2.317 447 Q HA 0.691 5.031 4.340 -0.000 0.000 0.229 447 Q C -0.425 175.740 176.000 0.274 0.000 0.984 447 Q CA -0.325 55.657 55.803 0.298 0.000 0.911 447 Q CB 1.623 30.499 28.738 0.230 0.000 1.217 447 Q HN 0.281 nan 8.270 nan 0.000 0.501 448 L N 3.011 124.413 121.223 0.297 0.000 2.439 448 L HA 0.546 4.886 4.340 -0.000 0.000 0.270 448 L C -1.670 175.265 176.870 0.109 0.000 0.972 448 L CA -0.440 54.424 54.840 0.040 0.000 0.836 448 L CB 1.114 42.852 42.059 -0.535 0.000 1.255 448 L HN 0.727 nan 8.230 nan 0.000 0.404 449 F N 4.266 124.166 119.950 -0.084 0.000 2.640 449 F HA 0.804 5.331 4.527 -0.000 0.000 0.324 449 F C -1.311 174.398 175.800 -0.152 0.000 1.077 449 F CA -1.136 56.813 58.000 -0.086 0.000 0.965 449 F CB 1.523 40.498 39.000 -0.041 0.000 1.351 449 F HN 0.249 nan 8.300 nan 0.000 0.487 450 I N 2.196 122.762 120.570 -0.006 0.000 2.498 450 I HA 0.436 4.606 4.170 -0.000 0.000 0.290 450 I C -1.223 174.849 176.117 -0.075 0.000 1.032 450 I CA -1.239 59.944 61.300 -0.194 0.000 1.073 450 I CB 2.303 40.153 38.000 -0.250 0.000 1.251 450 I HN 0.489 nan 8.210 nan 0.000 0.426 451 V N 7.643 127.462 119.914 -0.158 0.000 2.277 451 V HA 0.274 4.394 4.120 -0.000 0.000 0.269 451 V C -2.235 173.785 176.094 -0.124 0.000 1.036 451 V CA -1.776 60.461 62.300 -0.105 0.000 0.821 451 V CB 0.674 32.436 31.823 -0.103 0.000 1.052 451 V HN 0.541 nan 8.190 nan 0.000 0.462 452 P HA -0.010 nan 4.420 nan 0.000 0.267 452 P C -0.021 177.297 177.300 0.030 0.000 1.201 452 P CA 0.041 63.044 63.100 -0.161 0.000 0.775 452 P CB 0.454 31.685 31.700 -0.781 0.000 0.854 453 Q N 2.822 122.699 119.800 0.127 0.000 2.349 453 Q HA -0.122 4.218 4.340 -0.000 0.000 0.287 453 Q C 0.403 176.502 176.000 0.166 0.000 1.044 453 Q CA 0.758 56.541 55.803 -0.034 0.000 0.918 453 Q CB -0.482 28.061 28.738 -0.325 0.000 1.242 453 Q HN 0.476 nan 8.270 nan 0.000 0.405 454 N N 0.605 119.396 118.700 0.152 0.000 2.961 454 N HA -0.239 4.501 4.740 -0.000 0.000 0.223 454 N C -0.759 174.807 175.510 0.092 0.000 0.866 454 N CA 0.680 53.834 53.050 0.173 0.000 1.030 454 N CB -0.894 37.606 38.487 0.022 0.000 1.037 454 N HN 0.687 nan 8.380 nan 0.000 0.608 455 H N 0.334 119.398 119.070 -0.010 0.000 2.707 455 H HA 0.269 4.825 4.556 -0.000 0.000 0.359 455 H C 1.066 176.371 175.328 -0.039 0.000 1.113 455 H CA 0.466 56.487 56.048 -0.045 0.000 1.422 455 H CB 0.710 30.451 29.762 -0.035 0.000 1.443 455 H HN 0.191 nan 8.280 nan 0.000 0.591 456 G N 0.819 109.629 108.800 0.017 0.000 2.415 456 G HA2 0.364 4.324 3.960 -0.000 0.000 0.269 456 G HA3 0.364 4.324 3.960 -0.000 0.000 0.269 456 G C -0.805 174.055 174.900 -0.066 0.000 1.209 456 G CA -0.332 44.760 45.100 -0.015 0.000 0.835 456 G HN 0.427 nan 8.290 nan 0.000 0.534 457 V N 4.007 123.813 119.914 -0.180 0.000 2.612 457 V HA 0.630 4.750 4.120 -0.000 0.000 0.301 457 V C -0.951 175.036 176.094 -0.179 0.000 1.059 457 V CA -0.837 61.332 62.300 -0.218 0.000 0.886 457 V CB 1.393 33.028 31.823 -0.313 0.000 1.007 457 V HN 0.757 nan 8.190 nan 0.000 0.426 458 I N 5.563 126.070 120.570 -0.104 0.000 2.707 458 I HA 0.711 4.881 4.170 -0.000 0.000 0.309 458 I C -0.458 175.589 176.117 -0.118 0.000 1.001 458 I CA 0.173 61.440 61.300 -0.054 0.000 1.129 458 I CB 2.052 40.029 38.000 -0.040 0.000 1.308 458 I HN 0.801 nan 8.210 nan 0.000 0.466 459 Q N 5.267 124.999 119.800 -0.113 0.000 2.313 459 Q HA 0.344 4.684 4.340 -0.000 0.000 0.260 459 Q C -1.713 174.152 176.000 -0.225 0.000 0.972 459 Q CA -0.674 54.992 55.803 -0.229 0.000 0.886 459 Q CB 2.092 30.654 28.738 -0.294 0.000 1.373 459 Q HN 0.612 nan 8.270 nan 0.000 0.416 460 Q N 1.627 121.276 119.800 -0.252 0.000 2.310 460 Q HA 0.747 5.087 4.340 -0.000 0.000 0.270 460 Q C -1.228 174.649 176.000 -0.205 0.000 1.025 460 Q CA -0.416 55.289 55.803 -0.165 0.000 0.772 460 Q CB 1.798 30.485 28.738 -0.085 0.000 1.253 460 Q HN 0.777 nan 8.270 nan 0.000 0.450 461 A N 2.773 125.541 122.820 -0.086 0.000 2.448 461 A HA 0.534 4.854 4.320 -0.000 0.000 0.239 461 A C 0.632 178.232 177.584 0.027 0.000 1.080 461 A CA 0.486 52.527 52.037 0.006 0.000 0.779 461 A CB 0.172 19.347 19.000 0.293 0.000 1.026 461 A HN 0.932 nan 8.150 nan 0.000 0.499 462 G N -0.256 108.577 108.800 0.056 0.000 2.580 462 G HA2 0.194 4.154 3.960 -0.000 0.000 0.225 462 G HA3 0.194 4.154 3.960 -0.000 0.000 0.225 462 G C 0.663 175.629 174.900 0.111 0.000 1.521 462 G CA 0.131 45.268 45.100 0.061 0.000 1.068 462 G HN 0.730 nan 8.290 nan 0.000 0.564 463 N N -0.886 117.878 118.700 0.106 0.000 2.368 463 N HA -0.040 4.700 4.740 -0.000 0.000 0.176 463 N C 2.039 177.641 175.510 0.152 0.000 1.021 463 N CA 0.501 53.619 53.050 0.113 0.000 0.888 463 N CB 0.179 38.715 38.487 0.082 0.000 0.995 463 N HN 0.220 nan 8.380 nan 0.000 0.437 464 Q N 0.464 120.366 119.800 0.170 0.000 2.451 464 Q HA 0.254 4.594 4.340 -0.000 0.000 0.206 464 Q C 0.931 177.123 176.000 0.320 0.000 0.947 464 Q CA 0.120 56.048 55.803 0.207 0.000 0.937 464 Q CB 0.004 28.844 28.738 0.170 0.000 1.025 464 Q HN 0.394 nan 8.270 nan 0.000 0.511 465 G N 0.166 109.175 108.800 0.348 0.000 2.587 465 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.212 465 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.212 465 G C -1.268 173.973 174.900 0.568 0.000 1.327 465 G CA -0.435 44.976 45.100 0.519 0.000 0.898 465 G HN 0.163 nan 8.290 nan 0.000 0.551 466 F N 1.313 121.537 119.950 0.456 0.000 2.607 466 F HA 0.674 5.201 4.527 -0.000 0.000 0.322 466 F C -0.667 175.340 175.800 0.344 0.000 1.176 466 F CA -0.928 57.275 58.000 0.338 0.000 0.977 466 F CB 1.953 41.143 39.000 0.316 0.000 1.242 466 F HN 0.589 nan 8.300 nan 0.000 0.465 467 E N 5.685 125.759 120.200 -0.209 0.000 2.199 467 E HA 0.491 4.841 4.350 -0.000 0.000 0.265 467 E C -1.730 174.605 176.600 -0.442 0.000 0.882 467 E CA -0.734 55.426 56.400 -0.400 0.000 0.759 467 E CB 2.500 31.874 29.700 -0.543 0.000 1.148 467 E HN 0.545 nan 8.360 nan 0.000 0.412 468 Y N 0.899 120.930 120.300 -0.448 0.000 2.638 468 Y HA 0.668 5.218 4.550 -0.000 0.000 0.335 468 Y C -1.941 173.848 175.900 -0.184 0.000 1.155 468 Y CA -1.617 56.252 58.100 -0.384 0.000 1.046 468 Y CB 1.049 39.173 38.460 -0.560 0.000 1.303 468 Y HN 0.409 nan 8.280 nan 0.000 0.460 469 F N 1.996 121.826 119.950 -0.200 0.000 2.529 469 F HA 0.914 5.441 4.527 -0.000 0.000 0.320 469 F C -1.186 174.629 175.800 0.024 0.000 1.118 469 F CA -1.128 56.697 58.000 -0.291 0.000 0.915 469 F CB 1.581 40.251 39.000 -0.549 0.000 1.161 469 F HN 0.947 nan 8.300 nan 0.000 0.445 470 A N 5.915 128.256 122.820 -0.799 0.000 2.342 470 A HA 0.674 4.994 4.320 -0.000 0.000 0.323 470 A C -2.039 175.041 177.584 -0.840 0.000 1.125 470 A CA -0.513 51.186 52.037 -0.562 0.000 0.785 470 A CB 0.612 19.510 19.000 -0.169 0.000 1.221 470 A HN 0.772 nan 8.150 nan 0.000 0.463 471 F N 2.425 122.008 119.950 -0.612 0.000 2.375 471 F HA 0.525 5.052 4.527 -0.000 0.000 0.361 471 F C -0.066 175.577 175.800 -0.261 0.000 1.117 471 F CA -0.319 57.453 58.000 -0.381 0.000 1.037 471 F CB 1.132 40.036 39.000 -0.160 0.000 1.192 471 F HN 0.482 nan 8.300 nan 0.000 0.452 472 K N 3.486 123.498 120.400 -0.645 0.000 2.235 472 K HA 0.225 4.545 4.320 -0.000 0.000 0.266 472 K C 0.485 176.707 176.600 -0.630 0.000 0.980 472 K CA -0.477 55.520 56.287 -0.484 0.000 0.849 472 K CB 1.496 33.819 32.500 -0.295 0.000 1.098 472 K HN 0.656 nan 8.250 nan 0.000 0.445 473 T N 0.012 114.291 114.554 -0.459 0.000 3.722 473 T HA 0.076 4.426 4.350 -0.000 0.000 0.247 473 T C 0.162 174.664 174.700 -0.329 0.000 1.004 473 T CA 0.098 61.905 62.100 -0.488 0.000 0.947 473 T CB -0.246 68.479 68.868 -0.238 0.000 1.114 473 T HN 0.379 nan 8.240 nan 0.000 0.633 474 E N -0.258 119.772 120.200 -0.285 0.000 2.429 474 E HA 0.283 4.632 4.350 -0.000 0.000 0.280 474 E C 0.114 176.637 176.600 -0.128 0.000 1.068 474 E CA -0.677 55.629 56.400 -0.157 0.000 0.837 474 E CB 1.978 31.606 29.700 -0.119 0.000 1.357 474 E HN 0.377 nan 8.360 nan 0.000 0.455 475 E N 0.579 120.741 120.200 -0.064 0.000 3.744 475 E HA -0.015 4.335 4.350 -0.000 0.000 0.519 475 E C 0.034 176.627 176.600 -0.013 0.000 0.605 475 E CA 0.205 56.580 56.400 -0.041 0.000 3.302 475 E CB -0.015 29.675 29.700 -0.016 0.000 1.647 475 E HN 0.247 nan 8.360 nan 0.000 0.425 476 N N 1.218 119.941 118.700 0.038 0.000 2.670 476 N HA 0.093 4.833 4.740 -0.000 0.000 0.296 476 N C -0.972 174.642 175.510 0.173 0.000 1.216 476 N CA 0.155 53.266 53.050 0.102 0.000 1.123 476 N CB 0.158 38.734 38.487 0.148 0.000 1.459 476 N HN 0.266 nan 8.380 nan 0.000 0.509 477 A N 2.069 124.943 122.820 0.090 0.000 2.440 477 A HA 0.487 4.807 4.320 -0.000 0.000 0.251 477 A C 0.021 177.717 177.584 0.186 0.000 1.089 477 A CA -0.201 51.875 52.037 0.064 0.000 0.779 477 A CB -0.164 18.794 19.000 -0.071 0.000 1.022 477 A HN 0.561 nan 8.150 nan 0.000 0.492 478 F N 0.800 120.714 119.950 -0.059 0.000 2.664 478 F HA 0.816 5.343 4.527 -0.000 0.000 0.317 478 F C -0.621 175.123 175.800 -0.093 0.000 1.108 478 F CA -1.440 56.522 58.000 -0.063 0.000 0.957 478 F CB 1.341 40.303 39.000 -0.063 0.000 1.365 478 F HN 0.654 nan 8.300 nan 0.000 0.475 479 I N 0.017 120.613 120.570 0.043 0.000 2.846 479 I HA 0.600 4.770 4.170 -0.000 0.000 0.307 479 I C -1.714 174.281 176.117 -0.203 0.000 1.053 479 I CA -0.835 60.386 61.300 -0.131 0.000 1.050 479 I CB 2.312 40.360 38.000 0.079 0.000 1.239 479 I HN 0.870 nan 8.210 nan 0.000 0.439 480 N N 2.110 120.448 118.700 -0.605 0.000 2.442 480 N HA 0.287 5.027 4.740 -0.000 0.000 0.274 480 N C -0.927 174.271 175.510 -0.520 0.000 1.002 480 N CA -0.402 52.196 53.050 -0.753 0.000 0.910 480 N CB 1.527 39.043 38.487 -1.619 0.000 1.244 480 N HN 0.848 nan 8.380 nan 0.000 0.492 481 T N 2.480 116.969 114.554 -0.108 0.000 2.909 481 T HA 0.370 4.720 4.350 -0.000 0.000 0.289 481 T C 0.275 175.109 174.700 0.222 0.000 1.005 481 T CA -0.504 61.665 62.100 0.115 0.000 1.084 481 T CB 0.499 69.431 68.868 0.107 0.000 0.975 481 T HN 0.424 nan 8.240 nan 0.000 0.509 482 L N 2.416 123.823 121.223 0.307 0.000 3.209 482 L HA 0.831 5.171 4.340 -0.000 0.000 0.279 482 L C 0.112 177.129 176.870 0.245 0.000 1.301 482 L CA -0.753 54.317 54.840 0.383 0.000 1.004 482 L CB -0.208 42.132 42.059 0.468 0.000 1.402 482 L HN 0.681 nan 8.230 nan 0.000 0.577 483 A N -0.813 122.108 122.820 0.168 0.000 2.480 483 A HA 0.766 5.086 4.320 -0.000 0.000 0.302 483 A C -0.010 177.618 177.584 0.074 0.000 1.151 483 A CA 0.196 52.295 52.037 0.103 0.000 0.907 483 A CB -0.119 18.943 19.000 0.103 0.000 1.487 483 A HN 0.949 nan 8.150 nan 0.000 0.396 484 G N 0.373 109.194 108.800 0.035 0.000 2.345 484 G HA2 0.316 4.276 3.960 -0.000 0.000 0.285 484 G HA3 0.316 4.276 3.960 -0.000 0.000 0.285 484 G C 0.232 175.122 174.900 -0.017 0.000 1.297 484 G CA -0.105 45.005 45.100 0.015 0.000 0.875 484 G HN 0.644 nan 8.290 nan 0.000 0.506 485 R N -0.767 119.725 120.500 -0.013 0.000 2.280 485 R HA 0.094 4.434 4.340 -0.000 0.000 0.207 485 R C 0.924 177.210 176.300 -0.024 0.000 1.043 485 R CA 1.716 57.804 56.100 -0.021 0.000 1.006 485 R CB -0.123 30.172 30.300 -0.008 0.000 0.885 485 R HN 0.414 nan 8.270 nan 0.000 0.467 486 T N -0.635 113.913 114.554 -0.010 0.000 3.393 486 T HA 0.078 4.428 4.350 -0.000 0.000 0.298 486 T C -0.083 174.631 174.700 0.023 0.000 1.004 486 T CA -0.267 61.832 62.100 -0.002 0.000 0.956 486 T CB 0.755 69.623 68.868 -0.002 0.000 1.182 486 T HN 0.149 nan 8.240 nan 0.000 0.497 487 S N 0.948 116.663 115.700 0.025 0.000 2.593 487 S HA 0.364 4.834 4.470 -0.000 0.000 0.269 487 S C 1.216 175.889 174.600 0.122 0.000 1.334 487 S CA -0.767 57.488 58.200 0.091 0.000 1.015 487 S CB 0.448 63.695 63.200 0.078 0.000 0.912 487 S HN 0.302 nan 8.310 nan 0.000 0.541 488 F N 2.482 122.493 119.950 0.100 0.000 2.095 488 F HA -0.065 4.462 4.527 -0.000 0.000 0.298 488 F C 1.611 177.474 175.800 0.104 0.000 1.104 488 F CA 1.545 59.635 58.000 0.150 0.000 1.232 488 F CB -0.700 38.487 39.000 0.311 0.000 0.987 488 F HN 0.576 nan 8.300 nan 0.000 0.475 489 L N 0.406 121.366 121.223 -0.438 0.000 2.013 489 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 489 L C 2.717 179.378 176.870 -0.347 0.000 1.073 489 L CA 1.941 56.464 54.840 -0.529 0.000 0.753 489 L CB -0.818 41.133 42.059 -0.181 0.000 0.890 489 L HN 0.155 nan 8.230 nan 0.000 0.432 490 R N 0.065 120.418 120.500 -0.245 0.000 2.328 490 R HA -0.089 4.251 4.340 -0.000 0.000 0.207 490 R C 1.923 178.114 176.300 -0.181 0.000 1.056 490 R CA 0.842 56.784 56.100 -0.263 0.000 1.016 490 R CB -0.010 30.132 30.300 -0.264 0.000 0.872 490 R HN 0.378 nan 8.270 nan 0.000 0.471 491 A N 0.012 122.728 122.820 -0.173 0.000 2.095 491 A HA 0.210 4.530 4.320 -0.000 0.000 0.212 491 A C 0.640 178.160 177.584 -0.105 0.000 1.162 491 A CA -0.064 51.916 52.037 -0.096 0.000 0.753 491 A CB 0.249 19.237 19.000 -0.021 0.000 0.840 491 A HN 0.163 nan 8.150 nan 0.000 0.468 492 L N 1.993 123.094 121.223 -0.202 0.000 2.371 492 L HA 0.277 4.617 4.340 -0.000 0.000 0.272 492 L C -2.078 174.744 176.870 -0.080 0.000 1.124 492 L CA -2.044 52.710 54.840 -0.145 0.000 0.816 492 L CB 0.675 42.598 42.059 -0.226 0.000 1.129 492 L HN 0.120 nan 8.230 nan 0.000 0.448 493 P HA 0.003 nan 4.420 nan 0.000 0.271 493 P C -0.248 177.053 177.300 0.001 0.000 1.233 493 P CA -0.325 62.771 63.100 -0.006 0.000 0.789 493 P CB 1.013 32.714 31.700 0.002 0.000 0.951 494 D N 1.236 121.652 120.400 0.026 0.000 2.137 494 D HA -0.197 4.443 4.640 -0.000 0.000 0.193 494 D C 1.782 178.098 176.300 0.027 0.000 0.993 494 D CA 1.643 55.666 54.000 0.039 0.000 0.846 494 D CB -0.545 40.286 40.800 0.052 0.000 0.990 494 D HN 0.544 nan 8.370 nan 0.000 0.448 495 E N 0.179 120.390 120.200 0.019 0.000 2.187 495 E HA -0.169 4.181 4.350 -0.000 0.000 0.199 495 E C 2.127 178.726 176.600 -0.002 0.000 1.004 495 E CA 0.607 57.014 56.400 0.011 0.000 0.813 495 E CB -0.142 29.563 29.700 0.007 0.000 0.736 495 E HN 0.073 nan 8.360 nan 0.000 0.468 496 V N 0.974 120.881 119.914 -0.011 0.000 2.515 496 V HA -0.195 3.925 4.120 -0.000 0.000 0.250 496 V C 2.034 178.096 176.094 -0.053 0.000 1.058 496 V CA 1.164 63.444 62.300 -0.033 0.000 1.064 496 V CB -0.148 31.657 31.823 -0.030 0.000 0.675 496 V HN 0.234 nan 8.190 nan 0.000 0.461 497 L N -0.223 120.994 121.223 -0.009 0.000 2.005 497 L HA -0.077 4.263 4.340 -0.000 0.000 0.207 497 L C 2.741 179.666 176.870 0.092 0.000 1.072 497 L CA 1.745 56.622 54.840 0.062 0.000 0.744 497 L CB -0.761 41.360 42.059 0.103 0.000 0.895 497 L HN 0.431 nan 8.230 nan 0.000 0.433 498 A N 0.132 122.995 122.820 0.071 0.000 1.834 498 A HA -0.272 4.048 4.320 -0.000 0.000 0.216 498 A C 1.964 179.559 177.584 0.018 0.000 1.203 498 A CA 2.078 54.157 52.037 0.070 0.000 0.621 498 A CB -0.993 18.035 19.000 0.047 0.000 0.841 498 A HN 0.492 nan 8.150 nan 0.000 0.446 499 N N 0.110 118.799 118.700 -0.017 0.000 2.322 499 N HA -0.197 4.543 4.740 -0.000 0.000 0.189 499 N C 1.648 177.100 175.510 -0.096 0.000 1.012 499 N CA 1.462 54.487 53.050 -0.042 0.000 0.880 499 N CB -0.279 38.184 38.487 -0.040 0.000 0.967 499 N HN 0.559 nan 8.380 nan 0.000 0.439 500 A N -0.788 121.914 122.820 -0.197 0.000 1.997 500 A HA 0.047 4.367 4.320 -0.000 0.000 0.212 500 A C 1.188 178.500 177.584 -0.453 0.000 1.178 500 A CA 0.437 52.237 52.037 -0.395 0.000 0.698 500 A CB -0.149 18.472 19.000 -0.631 0.000 0.842 500 A HN 0.331 nan 8.150 nan 0.000 0.458 501 Y N -0.621 119.689 120.300 0.018 0.000 2.467 501 Y HA 0.241 4.791 4.550 -0.000 0.000 0.250 501 Y C 0.013 175.920 175.900 0.012 0.000 1.155 501 Y CA -0.165 57.945 58.100 0.017 0.000 1.249 501 Y CB 0.214 38.686 38.460 0.021 0.000 1.146 501 Y HN 0.343 nan 8.280 nan 0.000 0.524 502 Q N 1.409 121.270 119.800 0.100 0.000 2.453 502 Q HA -0.195 4.145 4.340 -0.000 0.000 0.350 502 Q C -0.592 175.459 176.000 0.084 0.000 1.447 502 Q CA 0.844 56.687 55.803 0.067 0.000 0.968 502 Q CB -1.984 26.785 28.738 0.050 0.000 1.175 502 Q HN 0.725 nan 8.270 nan 0.000 0.354 503 I N -3.978 116.647 120.570 0.091 0.000 3.174 503 I HA 0.658 4.828 4.170 -0.000 0.000 0.313 503 I C -0.011 176.142 176.117 0.059 0.000 1.155 503 I CA -1.346 60.001 61.300 0.078 0.000 0.977 503 I CB 2.055 40.113 38.000 0.098 0.000 1.248 503 I HN -0.003 nan 8.210 nan 0.000 0.453 504 S N 1.395 117.123 115.700 0.046 0.000 2.563 504 S HA 0.169 4.639 4.470 -0.000 0.000 0.284 504 S C 1.498 176.123 174.600 0.042 0.000 1.331 504 S CA 0.249 58.471 58.200 0.037 0.000 1.047 504 S CB 1.073 64.291 63.200 0.030 0.000 0.859 504 S HN 0.847 nan 8.310 nan 0.000 0.514 505 R N 1.796 122.317 120.500 0.035 0.000 2.152 505 R HA -0.126 4.214 4.340 -0.000 0.000 0.232 505 R C 1.938 178.263 176.300 0.042 0.000 1.117 505 R CA 2.089 58.212 56.100 0.037 0.000 0.981 505 R CB -1.390 28.926 30.300 0.027 0.000 0.870 505 R HN 0.902 nan 8.270 nan 0.000 0.451 506 E N 0.149 120.370 120.200 0.035 0.000 2.016 506 E HA -0.221 4.129 4.350 -0.000 0.000 0.190 506 E C 2.287 178.914 176.600 0.044 0.000 0.985 506 E CA 1.136 57.557 56.400 0.035 0.000 0.802 506 E CB -0.149 29.566 29.700 0.024 0.000 0.762 506 E HN 0.705 nan 8.360 nan 0.000 0.448 507 Q N 0.165 119.988 119.800 0.039 0.000 2.156 507 Q HA -0.293 4.047 4.340 -0.000 0.000 0.211 507 Q C 2.243 178.269 176.000 0.044 0.000 0.995 507 Q CA 1.797 57.621 55.803 0.036 0.000 0.877 507 Q CB -0.364 28.393 28.738 0.031 0.000 0.920 507 Q HN 0.456 nan 8.270 nan 0.000 0.416 508 A N 1.269 124.125 122.820 0.060 0.000 1.873 508 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 508 A C 1.992 179.624 177.584 0.079 0.000 1.193 508 A CA 1.888 53.967 52.037 0.070 0.000 0.629 508 A CB -0.585 18.465 19.000 0.083 0.000 0.826 508 A HN 0.299 nan 8.150 nan 0.000 0.447 509 R N -0.707 119.863 120.500 0.117 0.000 2.103 509 R HA -0.213 4.127 4.340 -0.000 0.000 0.242 509 R C 2.530 178.951 176.300 0.202 0.000 1.142 509 R CA 1.875 58.106 56.100 0.217 0.000 0.960 509 R CB -0.469 29.918 30.300 0.146 0.000 0.858 509 R HN 0.711 nan 8.270 nan 0.000 0.439 510 Q N 0.556 120.420 119.800 0.106 0.000 2.045 510 Q HA -0.172 4.168 4.340 -0.000 0.000 0.206 510 Q C 2.268 178.294 176.000 0.043 0.000 0.991 510 Q CA 1.581 57.427 55.803 0.073 0.000 0.851 510 Q CB -0.207 28.554 28.738 0.039 0.000 0.911 510 Q HN 0.350 nan 8.270 nan 0.000 0.418 511 L N 0.448 121.678 121.223 0.011 0.000 2.043 511 L HA -0.283 4.057 4.340 -0.000 0.000 0.212 511 L C 2.397 179.227 176.870 -0.066 0.000 1.075 511 L CA 1.472 56.291 54.840 -0.034 0.000 0.752 511 L CB -0.351 41.672 42.059 -0.059 0.000 0.891 511 L HN 0.194 nan 8.230 nan 0.000 0.432 512 K N -0.618 119.720 120.400 -0.102 0.000 1.980 512 K HA -0.121 4.199 4.320 -0.000 0.000 0.208 512 K C 1.243 177.608 176.600 -0.393 0.000 1.043 512 K CA 1.481 57.564 56.287 -0.339 0.000 0.938 512 K CB -0.164 31.966 32.500 -0.618 0.000 0.724 512 K HN 0.217 nan 8.250 nan 0.000 0.438 513 Y N 0.339 120.636 120.300 -0.004 0.000 2.683 513 Y HA 0.195 4.745 4.550 -0.000 0.000 0.297 513 Y C -0.001 175.898 175.900 -0.002 0.000 1.147 513 Y CA -0.492 57.606 58.100 -0.003 0.000 1.274 513 Y CB -0.050 38.407 38.460 -0.004 0.000 1.143 513 Y HN -0.049 nan 8.280 nan 0.000 0.527 514 N N 1.746 120.501 118.700 0.091 0.000 3.025 514 N HA 0.232 4.972 4.740 -0.000 0.000 0.315 514 N C -0.276 175.257 175.510 0.038 0.000 1.511 514 N CA -0.116 52.972 53.050 0.063 0.000 1.097 514 N CB 0.113 38.626 38.487 0.044 0.000 1.395 514 N HN 0.125 nan 8.380 nan 0.000 0.511 515 R N -0.499 120.026 120.500 0.041 0.000 2.764 515 R HA 0.219 4.559 4.340 -0.000 0.000 0.276 515 R C -0.351 175.961 176.300 0.021 0.000 1.021 515 R CA -0.388 55.727 56.100 0.024 0.000 0.870 515 R CB 0.936 31.243 30.300 0.013 0.000 1.293 515 R HN 0.381 nan 8.270 nan 0.000 0.469 516 Q N 0.253 120.058 119.800 0.008 0.000 3.058 516 Q HA 0.404 4.744 4.340 -0.000 0.000 0.200 516 Q C -0.470 175.525 176.000 -0.010 0.000 1.157 516 Q CA -0.451 55.350 55.803 -0.004 0.000 0.438 516 Q CB 0.090 28.816 28.738 -0.020 0.000 5.373 516 Q HN 0.253 nan 8.270 nan 0.000 0.311 517 E N 1.748 121.931 120.200 -0.028 0.000 2.324 517 E HA 0.122 4.472 4.350 -0.000 0.000 0.271 517 E C -0.959 175.627 176.600 -0.023 0.000 1.028 517 E CA 0.173 56.554 56.400 -0.032 0.000 0.890 517 E CB 0.877 30.543 29.700 -0.056 0.000 1.004 517 E HN 0.500 nan 8.360 nan 0.000 0.431 518 T N 4.929 119.476 114.554 -0.012 0.000 2.937 518 T HA 0.213 4.563 4.350 -0.000 0.000 0.316 518 T C 0.204 174.896 174.700 -0.013 0.000 1.079 518 T CA 0.383 62.486 62.100 0.005 0.000 1.131 518 T CB -0.239 68.636 68.868 0.011 0.000 1.000 518 T HN 0.566 nan 8.240 nan 0.000 0.549 519 I N 1.521 122.097 120.570 0.010 0.000 8.455 519 I HA -0.138 4.032 4.170 -0.000 0.000 0.126 519 I C 0.298 176.365 176.117 -0.084 0.000 1.855 519 I CA 0.405 61.677 61.300 -0.047 0.000 2.041 519 I CB -1.272 36.665 38.000 -0.106 0.000 3.831 519 I HN 1.218 nan 8.210 nan 0.000 0.170 520 A N 4.867 127.679 122.820 -0.015 0.000 2.089 520 A HA -0.092 4.228 4.320 -0.000 0.000 0.260 520 A C -0.402 177.171 177.584 -0.018 0.000 1.378 520 A CA 0.835 52.833 52.037 -0.065 0.000 0.714 520 A CB -1.426 17.326 19.000 -0.413 0.000 1.180 520 A HN 0.807 nan 8.150 nan 0.000 0.304 521 L N 1.712 122.999 121.223 0.107 0.000 2.331 521 L HA 0.787 5.127 4.340 -0.000 0.000 0.275 521 L C 0.953 177.866 176.870 0.072 0.000 1.022 521 L CA -0.233 54.644 54.840 0.062 0.000 0.812 521 L CB 2.098 44.207 42.059 0.083 0.000 1.257 521 L HN 0.885 nan 8.230 nan 0.000 0.435 522 S N -0.180 115.540 115.700 0.033 0.000 2.617 522 S HA 0.515 4.985 4.470 -0.000 0.000 0.283 522 S C 0.172 174.802 174.600 0.050 0.000 1.189 522 S CA -0.756 57.469 58.200 0.042 0.000 1.036 522 S CB 1.549 64.755 63.200 0.010 0.000 1.014 522 S HN 0.740 nan 8.310 nan 0.000 0.522 523 S N 0.000 115.736 115.700 0.060 0.000 2.498 523 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 523 S CA 0.000 58.230 58.200 0.050 0.000 1.107 523 S CB 0.000 63.232 63.200 0.054 0.000 0.593 523 S HN 0.000 nan 8.310 nan 0.000 0.517