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 1zxm_1_A DATA FIRST_RESID 29 DATA SEQUENCE SVERIYQKKT QLEHILLRPD TYIGSVELVT QQMWVYDEDV GINYREVTFV DATA SEQUENCE PGLYKIFDEI LVNAADNKQR DPKMSCIRVT IDPENNLISI WNNGKGIPVV DATA SEQUENCE EHKVEKMYVP ALIFGQLLTS SNYDDDEKKV TGGRNGYGAK LCNIFSTKFT DATA SEQUENCE VETASREYKK MFKQTWMDNM GRAGEMELKP FNGEDYTCIT FQPDLSKFKM DATA SEQUENCE QSLDKDIVAL MVRRAYDIAG STKDVKVFLN GNKLPVKGFR SYVDMYLKDK DATA SEQUENCE LDETGNSLKV IHEQVNHRWE VCLTMSEKGF QQISFVNSIA TSKGGRHVDY DATA SEQUENCE VADQIVTKLV DVVKKKNXXX XAVKAHQVKN HMWIFVNALI ENPTFDSQTK DATA SEQUENCE ENMTLQPKSF GSTCQLSEKF IKAAIGC 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 29 S HA 0.000 nan 4.470 nan 0.000 0.327 29 S C 0.000 174.632 174.600 0.053 0.000 1.055 29 S CA 0.000 58.219 58.200 0.032 0.000 1.107 29 S CB 0.000 63.217 63.200 0.028 0.000 0.593 30 V N 1.419 121.386 119.914 0.087 0.000 2.332 30 V HA -0.142 3.978 4.120 -0.001 0.000 0.248 30 V C 2.409 178.609 176.094 0.176 0.000 1.055 30 V CA 2.579 64.980 62.300 0.168 0.000 1.038 30 V CB -1.103 30.803 31.823 0.138 0.000 0.651 30 V HN 0.928 nan 8.190 nan 0.000 0.450 31 E N -0.485 119.776 120.200 0.101 0.000 2.274 31 E HA -0.123 4.226 4.350 -0.001 0.000 0.194 31 E C 2.263 178.898 176.600 0.059 0.000 0.996 31 E CA 0.574 57.025 56.400 0.084 0.000 0.840 31 E CB -0.256 29.476 29.700 0.054 0.000 0.772 31 E HN 0.446 nan 8.360 nan 0.000 0.491 32 R N 0.261 120.782 120.500 0.035 0.000 2.062 32 R HA 0.034 4.374 4.340 -0.001 0.000 0.226 32 R C 2.043 178.322 176.300 -0.035 0.000 1.125 32 R CA 0.815 56.917 56.100 0.003 0.000 0.966 32 R CB -0.105 30.192 30.300 -0.005 0.000 0.861 32 R HN 0.176 nan 8.270 nan 0.000 0.433 33 I N 0.027 120.552 120.570 -0.074 0.000 2.133 33 I HA -0.224 3.945 4.170 -0.001 0.000 0.238 33 I C 0.329 176.230 176.117 -0.359 0.000 1.074 33 I CA 1.047 62.193 61.300 -0.256 0.000 1.342 33 I CB -0.163 37.601 38.000 -0.393 0.000 1.053 33 I HN 0.051 nan 8.210 nan 0.000 0.404 34 Y N 2.244 122.551 120.300 0.013 0.000 2.425 34 Y HA 0.358 4.907 4.550 -0.001 0.000 0.347 34 Y C 0.013 175.923 175.900 0.017 0.000 0.976 34 Y CA -0.297 57.813 58.100 0.016 0.000 1.190 34 Y CB 0.275 38.743 38.460 0.013 0.000 1.136 34 Y HN 0.164 nan 8.280 nan 0.000 0.517 35 Q N 2.637 122.503 119.800 0.110 0.000 2.377 35 Q HA 0.461 4.800 4.340 -0.001 0.000 0.271 35 Q C -1.001 175.051 176.000 0.087 0.000 1.077 35 Q CA -1.331 54.522 55.803 0.082 0.000 0.820 35 Q CB 3.118 31.883 28.738 0.044 0.000 1.347 35 Q HN 0.492 nan 8.270 nan 0.000 0.444 36 K N 1.673 122.117 120.400 0.072 0.000 2.221 36 K HA 0.386 4.705 4.320 -0.001 0.000 0.258 36 K C -1.037 175.602 176.600 0.065 0.000 0.944 36 K CA -0.646 55.682 56.287 0.067 0.000 0.823 36 K CB 0.930 33.462 32.500 0.052 0.000 1.113 36 K HN 0.277 nan 8.250 nan 0.000 0.431 37 K N 1.671 122.118 120.400 0.080 0.000 2.267 37 K HA 0.277 4.596 4.320 -0.001 0.000 0.246 37 K C -0.322 176.322 176.600 0.074 0.000 0.954 37 K CA -0.643 55.695 56.287 0.086 0.000 0.824 37 K CB 1.921 34.506 32.500 0.142 0.000 1.167 37 K HN 0.901 nan 8.250 nan 0.000 0.431 38 T N -1.335 113.254 114.554 0.059 0.000 2.849 38 T HA 0.108 4.457 4.350 -0.001 0.000 0.284 38 T C 1.248 175.986 174.700 0.063 0.000 1.004 38 T CA -0.445 61.680 62.100 0.042 0.000 1.021 38 T CB 1.055 69.937 68.868 0.022 0.000 1.013 38 T HN 0.307 nan 8.240 nan 0.000 0.527 39 Q N -0.023 119.804 119.800 0.044 0.000 2.096 39 Q HA -0.087 4.252 4.340 -0.001 0.000 0.204 39 Q C 2.149 178.175 176.000 0.043 0.000 0.982 39 Q CA 1.575 57.416 55.803 0.062 0.000 0.850 39 Q CB -0.592 28.176 28.738 0.049 0.000 0.901 39 Q HN 0.753 nan 8.270 nan 0.000 0.422 40 L N 0.511 121.733 121.223 -0.002 0.000 2.056 40 L HA -0.156 4.184 4.340 -0.001 0.000 0.207 40 L C 2.157 178.991 176.870 -0.059 0.000 1.078 40 L CA 1.511 56.317 54.840 -0.057 0.000 0.749 40 L CB -0.606 41.418 42.059 -0.058 0.000 0.901 40 L HN 0.131 nan 8.230 nan 0.000 0.433 41 E N -1.193 119.002 120.200 -0.008 0.000 2.072 41 E HA -0.239 4.110 4.350 -0.001 0.000 0.191 41 E C 2.168 178.782 176.600 0.022 0.000 0.985 41 E CA 0.960 57.357 56.400 -0.005 0.000 0.801 41 E CB -0.286 29.427 29.700 0.022 0.000 0.750 41 E HN 0.531 nan 8.360 nan 0.000 0.452 42 H N 0.956 120.021 119.070 -0.009 0.000 2.387 42 H HA -0.097 4.458 4.556 -0.001 0.000 0.299 42 H C 2.088 177.440 175.328 0.041 0.000 1.090 42 H CA 1.290 57.368 56.048 0.051 0.000 1.332 42 H CB 0.045 29.875 29.762 0.112 0.000 1.386 42 H HN 0.151 nan 8.280 nan 0.000 0.516 43 I N 0.472 121.008 120.570 -0.056 0.000 2.226 43 I HA -0.294 3.875 4.170 -0.001 0.000 0.245 43 I C 2.602 178.677 176.117 -0.070 0.000 1.100 43 I CA 0.865 61.966 61.300 -0.330 0.000 1.374 43 I CB -0.188 37.489 38.000 -0.537 0.000 1.057 43 I HN 0.194 nan 8.210 nan 0.000 0.413 44 L N -0.292 120.851 121.223 -0.133 0.000 2.156 44 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 44 L C 2.454 179.316 176.870 -0.013 0.000 1.095 44 L CA 0.686 55.458 54.840 -0.114 0.000 0.770 44 L CB -0.318 41.616 42.059 -0.209 0.000 0.914 44 L HN 0.282 nan 8.230 nan 0.000 0.439 45 L N -0.585 120.610 121.223 -0.047 0.000 2.131 45 L HA 0.013 4.352 4.340 -0.001 0.000 0.206 45 L C 0.904 177.740 176.870 -0.057 0.000 1.087 45 L CA 1.539 56.345 54.840 -0.056 0.000 0.767 45 L CB 0.001 42.008 42.059 -0.087 0.000 0.917 45 L HN 0.056 nan 8.230 nan 0.000 0.441 46 R N -0.544 119.905 120.500 -0.086 0.000 2.585 46 R HA 0.306 4.645 4.340 -0.001 0.000 0.278 46 R C -2.082 174.320 176.300 0.170 0.000 1.663 46 R CA -1.953 54.123 56.100 -0.039 0.000 1.592 46 R CB 0.288 30.454 30.300 -0.222 0.000 1.200 46 R HN 0.119 nan 8.270 nan 0.000 0.611 47 P HA -0.044 nan 4.420 nan 0.000 0.220 47 P C 0.260 177.675 177.300 0.192 0.000 1.152 47 P CA 0.791 64.066 63.100 0.292 0.000 0.812 47 P CB 0.484 32.307 31.700 0.205 0.000 0.792 48 D N -0.190 120.263 120.400 0.088 0.000 2.154 48 D HA -0.205 4.434 4.640 -0.001 0.000 0.190 48 D C 1.857 178.144 176.300 -0.022 0.000 1.003 48 D CA 2.442 56.455 54.000 0.021 0.000 0.849 48 D CB -1.166 39.635 40.800 0.003 0.000 0.942 48 D HN 0.270 nan 8.370 nan 0.000 0.446 49 T N -2.664 111.833 114.554 -0.095 0.000 3.118 49 T HA -0.075 4.274 4.350 -0.001 0.000 0.260 49 T C 1.433 175.948 174.700 -0.308 0.000 1.139 49 T CA 0.572 62.541 62.100 -0.217 0.000 1.085 49 T CB -0.298 68.389 68.868 -0.301 0.000 0.934 49 T HN 0.198 nan 8.240 nan 0.000 0.518 50 Y N 1.516 121.778 120.300 -0.064 0.000 2.266 50 Y HA 0.403 4.952 4.550 -0.002 0.000 0.294 50 Y C 2.138 177.979 175.900 -0.098 0.000 1.127 50 Y CA 0.252 58.286 58.100 -0.111 0.000 1.140 50 Y CB 0.165 38.595 38.460 -0.051 0.000 1.071 50 Y HN 0.340 nan 8.280 nan 0.000 0.525 51 I N -3.225 117.392 120.570 0.078 0.000 4.338 51 I HA 0.704 4.873 4.170 -0.001 0.000 0.329 51 I C 0.693 176.782 176.117 -0.046 0.000 1.378 51 I CA 0.199 61.479 61.300 -0.033 0.000 1.170 51 I CB 0.556 38.462 38.000 -0.157 0.000 1.206 51 I HN 0.173 nan 8.210 nan 0.000 0.432 52 G N 1.652 110.438 108.800 -0.023 0.000 2.631 52 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.504 52 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.504 52 G C -0.481 174.408 174.900 -0.018 0.000 1.306 52 G CA -0.185 44.905 45.100 -0.016 0.000 0.897 52 G HN 0.445 nan 8.290 nan 0.000 0.520 53 S N -1.260 114.427 115.700 -0.021 0.000 2.560 53 S HA 0.347 4.816 4.470 -0.001 0.000 0.284 53 S C 1.609 176.203 174.600 -0.009 0.000 1.327 53 S CA 0.543 58.730 58.200 -0.022 0.000 1.055 53 S CB 0.879 64.049 63.200 -0.050 0.000 0.868 53 S HN 2.034 nan 8.310 nan 0.000 0.506 54 V N 1.158 121.097 119.914 0.042 0.000 3.444 54 V HA 0.507 4.626 4.120 -0.001 0.000 0.308 54 V C 0.188 176.347 176.094 0.108 0.000 1.371 54 V CA -0.307 62.082 62.300 0.148 0.000 1.141 54 V CB -0.472 31.459 31.823 0.181 0.000 1.037 54 V HN 0.595 nan 8.190 nan 0.000 0.433 55 E N 0.885 121.094 120.200 0.015 0.000 2.222 55 E HA 0.564 4.913 4.350 -0.001 0.000 0.272 55 E C -0.539 176.014 176.600 -0.079 0.000 0.982 55 E CA -0.817 55.576 56.400 -0.012 0.000 0.842 55 E CB 2.703 32.389 29.700 -0.023 0.000 1.144 55 E HN 0.337 nan 8.360 nan 0.000 0.397 56 L N 1.893 123.076 121.223 -0.067 0.000 2.462 56 L HA 0.098 4.438 4.340 -0.001 0.000 0.272 56 L C 0.249 177.023 176.870 -0.160 0.000 1.166 56 L CA -0.334 54.436 54.840 -0.117 0.000 0.880 56 L CB 0.259 42.287 42.059 -0.052 0.000 1.142 56 L HN 0.227 nan 8.230 nan 0.000 0.473 57 V N 0.168 119.909 119.914 -0.288 0.000 2.680 57 V HA 0.627 4.746 4.120 -0.001 0.000 0.309 57 V C -0.126 175.875 176.094 -0.157 0.000 1.052 57 V CA -0.370 61.782 62.300 -0.246 0.000 0.908 57 V CB 1.917 33.537 31.823 -0.339 0.000 1.001 57 V HN 0.641 nan 8.190 nan 0.000 0.431 58 T N 6.299 120.818 114.554 -0.059 0.000 2.809 58 T HA 0.673 5.022 4.350 -0.001 0.000 0.296 58 T C -0.468 174.238 174.700 0.011 0.000 1.015 58 T CA -0.423 61.676 62.100 -0.002 0.000 0.954 58 T CB 0.715 69.574 68.868 -0.015 0.000 0.950 58 T HN 1.067 nan 8.240 nan 0.000 0.450 59 Q N 2.178 122.007 119.800 0.050 0.000 2.685 59 Q HA 0.500 4.839 4.340 -0.001 0.000 0.301 59 Q C -1.551 174.409 176.000 -0.067 0.000 0.924 59 Q CA -1.283 54.529 55.803 0.014 0.000 0.755 59 Q CB 1.597 30.376 28.738 0.068 0.000 1.470 59 Q HN 0.368 nan 8.270 nan 0.000 0.434 60 Q N 1.043 120.743 119.800 -0.167 0.000 2.235 60 Q HA 0.683 5.022 4.340 -0.001 0.000 0.250 60 Q C -0.521 175.158 176.000 -0.535 0.000 0.909 60 Q CA -0.179 55.340 55.803 -0.472 0.000 0.910 60 Q CB 1.524 29.888 28.738 -0.623 0.000 1.223 60 Q HN 0.658 nan 8.270 nan 0.000 0.432 61 M N -1.039 118.085 119.600 -0.793 0.000 3.015 61 M HA 0.327 4.806 4.480 -0.001 0.000 0.272 61 M C -1.975 174.150 176.300 -0.292 0.000 1.085 61 M CA -1.004 54.074 55.300 -0.370 0.000 0.795 61 M CB 0.917 33.495 32.600 -0.038 0.000 1.632 61 M HN 0.423 nan 8.290 nan 0.000 0.535 62 W N 2.180 123.615 121.300 0.225 0.000 2.253 62 W HA 0.548 5.206 4.660 -0.003 0.000 0.322 62 W C 0.185 176.760 176.519 0.094 0.000 1.342 62 W CA 0.171 57.665 57.345 0.248 0.000 1.218 62 W CB 0.862 30.599 29.460 0.462 0.000 1.205 62 W HN 0.626 nan 8.180 nan 0.000 0.551 63 V N 1.140 121.197 119.914 0.238 0.000 3.181 63 V HA 0.570 4.689 4.120 -0.001 0.000 0.307 63 V C -2.105 174.072 176.094 0.137 0.000 1.310 63 V CA -1.491 60.880 62.300 0.119 0.000 1.067 63 V CB 2.192 33.987 31.823 -0.046 0.000 1.081 63 V HN 0.365 nan 8.190 nan 0.000 0.453 64 Y N 1.119 121.420 120.300 0.001 0.000 2.376 64 Y HA 0.632 5.181 4.550 -0.002 0.000 0.326 64 Y C -0.614 175.266 175.900 -0.034 0.000 0.970 64 Y CA -0.700 57.374 58.100 -0.044 0.000 1.248 64 Y CB 0.936 39.363 38.460 -0.055 0.000 1.117 64 Y HN 0.829 nan 8.280 nan 0.000 0.476 65 D N 4.470 124.714 120.400 -0.261 0.000 2.177 65 D HA 0.094 4.733 4.640 -0.001 0.000 0.247 65 D C -0.261 175.910 176.300 -0.214 0.000 1.063 65 D CA -0.277 53.637 54.000 -0.144 0.000 0.867 65 D CB 1.526 42.240 40.800 -0.143 0.000 1.168 65 D HN 0.516 nan 8.370 nan 0.000 0.445 66 E N 1.161 121.362 120.200 0.001 0.000 2.415 66 E HA -0.032 4.317 4.350 -0.001 0.000 0.262 66 E C 0.061 176.637 176.600 -0.041 0.000 1.038 66 E CA 0.319 56.753 56.400 0.056 0.000 0.921 66 E CB 0.413 30.176 29.700 0.105 0.000 0.950 66 E HN 0.354 nan 8.360 nan 0.000 0.438 67 D N 1.657 122.038 120.400 -0.032 0.000 3.046 67 D HA -0.173 4.466 4.640 -0.001 0.000 0.210 67 D C 0.696 176.935 176.300 -0.102 0.000 1.124 67 D CA 1.048 55.020 54.000 -0.047 0.000 0.986 67 D CB -1.177 39.607 40.800 -0.026 0.000 1.118 67 D HN 0.245 nan 8.370 nan 0.000 0.416 68 V N -1.630 118.167 119.914 -0.196 0.000 3.161 68 V HA 0.513 4.632 4.120 -0.001 0.000 0.228 68 V C 1.375 177.261 176.094 -0.346 0.000 1.415 68 V CA 0.980 63.148 62.300 -0.219 0.000 1.285 68 V CB 0.822 32.528 31.823 -0.195 0.000 1.100 68 V HN 0.637 nan 8.190 nan 0.000 0.478 69 G N 0.863 109.244 108.800 -0.698 0.000 2.587 69 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.212 69 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.212 69 G C -0.426 174.012 174.900 -0.769 0.000 1.327 69 G CA -0.301 44.177 45.100 -1.037 0.000 0.898 69 G HN 0.308 nan 8.290 nan 0.000 0.551 70 I N 2.462 122.751 120.570 -0.469 0.000 2.581 70 I HA 0.240 4.409 4.170 -0.001 0.000 0.285 70 I C 0.690 176.823 176.117 0.026 0.000 1.129 70 I CA 0.633 61.812 61.300 -0.202 0.000 1.397 70 I CB -0.360 37.394 38.000 -0.410 0.000 1.399 70 I HN 0.730 nan 8.210 nan 0.000 0.537 71 N N 5.216 123.985 118.700 0.114 0.000 2.525 71 N HA 0.329 5.068 4.740 -0.001 0.000 0.270 71 N C -1.356 174.092 175.510 -0.103 0.000 1.321 71 N CA -0.926 52.179 53.050 0.091 0.000 0.797 71 N CB 1.159 39.617 38.487 -0.048 0.000 1.529 71 N HN 0.280 nan 8.380 nan 0.000 0.491 72 Y N 0.850 120.768 120.300 -0.636 0.000 2.353 72 Y HA 0.505 5.054 4.550 -0.002 0.000 0.340 72 Y C -0.459 175.171 175.900 -0.450 0.000 0.972 72 Y CA -0.376 57.182 58.100 -0.902 0.000 1.157 72 Y CB 0.477 38.129 38.460 -1.346 0.000 1.157 72 Y HN 0.784 nan 8.280 nan 0.000 0.495 73 R N 3.039 123.156 120.500 -0.639 0.000 2.752 73 R HA 0.402 4.741 4.340 -0.001 0.000 0.271 73 R C -1.400 174.633 176.300 -0.444 0.000 1.026 73 R CA -1.205 54.629 56.100 -0.443 0.000 0.901 73 R CB 1.312 31.459 30.300 -0.254 0.000 1.243 73 R HN 0.555 nan 8.270 nan 0.000 0.463 74 E N 1.475 121.499 120.200 -0.294 0.000 2.344 74 E HA 0.286 4.635 4.350 -0.001 0.000 0.270 74 E C -0.660 175.852 176.600 -0.147 0.000 1.021 74 E CA -0.580 55.695 56.400 -0.209 0.000 0.887 74 E CB 1.078 30.696 29.700 -0.137 0.000 0.997 74 E HN 0.442 nan 8.360 nan 0.000 0.429 75 V N 0.982 120.840 119.914 -0.093 0.000 3.007 75 V HA 0.568 4.687 4.120 -0.001 0.000 0.311 75 V C -0.434 175.730 176.094 0.116 0.000 1.120 75 V CA -0.924 61.359 62.300 -0.028 0.000 0.980 75 V CB 2.047 33.802 31.823 -0.113 0.000 1.033 75 V HN 0.575 nan 8.190 nan 0.000 0.429 76 T N 4.929 119.556 114.554 0.121 0.000 2.791 76 T HA 0.835 5.184 4.350 -0.001 0.000 0.288 76 T C -0.814 174.013 174.700 0.211 0.000 0.999 76 T CA -0.090 62.085 62.100 0.125 0.000 0.952 76 T CB 0.531 69.420 68.868 0.036 0.000 0.938 76 T HN 1.060 nan 8.240 nan 0.000 0.444 77 F N 0.812 120.725 119.950 -0.061 0.000 2.745 77 F HA 0.816 5.343 4.527 -0.001 0.000 0.316 77 F C -1.818 173.954 175.800 -0.046 0.000 1.155 77 F CA -1.660 56.298 58.000 -0.070 0.000 0.937 77 F CB 0.670 39.600 39.000 -0.117 0.000 1.361 77 F HN 0.155 nan 8.300 nan 0.000 0.472 78 V N 2.428 122.234 119.914 -0.179 0.000 2.328 78 V HA 0.304 4.424 4.120 -0.001 0.000 0.278 78 V C -1.858 174.133 176.094 -0.172 0.000 1.021 78 V CA -1.568 60.575 62.300 -0.262 0.000 0.838 78 V CB 1.182 32.922 31.823 -0.139 0.000 0.999 78 V HN 0.671 nan 8.190 nan 0.000 0.447 79 P HA -0.179 nan 4.420 nan 0.000 0.216 79 P C 1.735 179.070 177.300 0.058 0.000 1.157 79 P CA 1.866 65.025 63.100 0.098 0.000 0.880 79 P CB 0.212 31.913 31.700 0.001 0.000 0.791 80 G N -0.355 108.390 108.800 -0.091 0.000 2.469 80 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.220 80 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.220 80 G C 1.456 176.152 174.900 -0.341 0.000 1.136 80 G CA 0.726 45.727 45.100 -0.165 0.000 0.759 80 G HN 0.237 nan 8.290 nan 0.000 0.562 81 L N -0.696 120.110 121.223 -0.694 0.000 2.056 81 L HA 0.055 4.394 4.340 -0.001 0.000 0.207 81 L C 2.449 179.309 176.870 -0.016 0.000 1.078 81 L CA 1.491 55.928 54.840 -0.672 0.000 0.749 81 L CB -0.858 40.728 42.059 -0.787 0.000 0.901 81 L HN 0.290 nan 8.230 nan 0.000 0.433 82 Y N 0.717 120.994 120.300 -0.039 0.000 2.207 82 Y HA -0.259 4.290 4.550 -0.001 0.000 0.287 82 Y C 2.567 178.575 175.900 0.180 0.000 1.156 82 Y CA 2.183 60.349 58.100 0.110 0.000 1.182 82 Y CB -0.413 38.150 38.460 0.171 0.000 0.979 82 Y HN 0.285 nan 8.280 nan 0.000 0.521 83 K N 1.176 121.615 120.400 0.065 0.000 2.062 83 K HA -0.085 4.234 4.320 -0.001 0.000 0.205 83 K C 2.041 178.651 176.600 0.017 0.000 1.051 83 K CA 1.874 58.131 56.287 -0.050 0.000 0.941 83 K CB -0.990 31.471 32.500 -0.065 0.000 0.719 83 K HN 0.564 nan 8.250 nan 0.000 0.440 84 I N -1.707 118.899 120.570 0.061 0.000 2.493 84 I HA -0.092 4.077 4.170 -0.001 0.000 0.254 84 I C 2.091 178.269 176.117 0.101 0.000 1.160 84 I CA 1.088 62.420 61.300 0.054 0.000 1.445 84 I CB -0.479 37.573 38.000 0.085 0.000 1.086 84 I HN 0.014 nan 8.210 nan 0.000 0.433 85 F N 2.849 122.880 119.950 0.135 0.000 2.113 85 F HA -0.191 4.335 4.527 -0.001 0.000 0.297 85 F C 2.078 177.966 175.800 0.147 0.000 1.103 85 F CA 2.091 60.257 58.000 0.277 0.000 1.248 85 F CB -0.489 38.706 39.000 0.325 0.000 0.999 85 F HN 0.162 nan 8.300 nan 0.000 0.475 86 D N 0.049 120.490 120.400 0.069 0.000 2.123 86 D HA -0.208 4.431 4.640 -0.001 0.000 0.196 86 D C 2.017 178.238 176.300 -0.131 0.000 0.992 86 D CA 1.656 55.597 54.000 -0.099 0.000 0.833 86 D CB -0.191 40.529 40.800 -0.134 0.000 0.954 86 D HN 0.329 nan 8.370 nan 0.000 0.455 87 E N -0.017 120.131 120.200 -0.087 0.000 2.085 87 E HA -0.151 4.199 4.350 -0.001 0.000 0.194 87 E C 2.278 178.837 176.600 -0.068 0.000 0.994 87 E CA 0.624 56.978 56.400 -0.077 0.000 0.801 87 E CB -0.152 29.517 29.700 -0.051 0.000 0.743 87 E HN 0.461 nan 8.360 nan 0.000 0.453 88 I N 0.669 121.200 120.570 -0.066 0.000 2.353 88 I HA -0.184 3.985 4.170 -0.001 0.000 0.248 88 I C 2.487 178.560 176.117 -0.074 0.000 1.119 88 I CA 0.550 61.843 61.300 -0.012 0.000 1.417 88 I CB -1.027 37.009 38.000 0.061 0.000 1.078 88 I HN 0.105 nan 8.210 nan 0.000 0.421 89 L N 0.779 121.877 121.223 -0.209 0.000 2.046 89 L HA -0.122 4.217 4.340 -0.001 0.000 0.208 89 L C 2.480 179.280 176.870 -0.117 0.000 1.077 89 L CA 1.660 56.370 54.840 -0.216 0.000 0.747 89 L CB -0.622 41.210 42.059 -0.378 0.000 0.896 89 L HN -0.043 nan 8.230 nan 0.000 0.432 90 V N 0.146 119.994 119.914 -0.109 0.000 2.407 90 V HA -0.255 3.864 4.120 -0.001 0.000 0.248 90 V C 2.347 178.400 176.094 -0.069 0.000 1.055 90 V CA 1.634 63.885 62.300 -0.082 0.000 1.049 90 V CB -0.904 30.867 31.823 -0.088 0.000 0.662 90 V HN 0.502 nan 8.190 nan 0.000 0.455 91 N N 0.641 119.306 118.700 -0.059 0.000 2.166 91 N HA -0.128 4.611 4.740 -0.001 0.000 0.186 91 N C 1.888 177.378 175.510 -0.033 0.000 1.019 91 N CA 1.649 54.674 53.050 -0.042 0.000 0.856 91 N CB -0.472 38.013 38.487 -0.004 0.000 0.993 91 N HN 0.501 nan 8.380 nan 0.000 0.426 92 A N 0.888 123.690 122.820 -0.030 0.000 1.877 92 A HA 0.025 4.344 4.320 -0.001 0.000 0.216 92 A C 2.354 179.913 177.584 -0.042 0.000 1.186 92 A CA 1.956 53.974 52.037 -0.031 0.000 0.620 92 A CB -0.939 18.049 19.000 -0.020 0.000 0.822 92 A HN 0.304 nan 8.150 nan 0.000 0.443 93 A N -0.061 122.730 122.820 -0.048 0.000 1.933 93 A HA -0.196 4.123 4.320 -0.001 0.000 0.218 93 A C 1.707 179.258 177.584 -0.054 0.000 1.175 93 A CA 1.917 53.923 52.037 -0.053 0.000 0.628 93 A CB -0.618 18.344 19.000 -0.064 0.000 0.814 93 A HN 0.459 nan 8.150 nan 0.000 0.444 94 D N -0.399 119.967 120.400 -0.056 0.000 2.218 94 D HA -0.137 4.502 4.640 -0.001 0.000 0.204 94 D C 1.639 177.907 176.300 -0.052 0.000 0.976 94 D CA 1.252 55.218 54.000 -0.057 0.000 0.853 94 D CB -0.391 40.370 40.800 -0.065 0.000 0.939 94 D HN 0.503 nan 8.370 nan 0.000 0.481 95 N N 0.448 119.118 118.700 -0.050 0.000 2.381 95 N HA -0.122 4.617 4.740 -0.001 0.000 0.182 95 N C 1.480 176.966 175.510 -0.041 0.000 1.025 95 N CA 0.580 53.601 53.050 -0.049 0.000 0.888 95 N CB 0.101 38.553 38.487 -0.058 0.000 0.965 95 N HN -0.119 nan 8.380 nan 0.000 0.438 96 K N 0.261 120.638 120.400 -0.038 0.000 2.211 96 K HA -0.036 4.283 4.320 -0.001 0.000 0.203 96 K C 1.273 177.858 176.600 -0.024 0.000 1.050 96 K CA 0.952 57.223 56.287 -0.028 0.000 0.945 96 K CB 0.126 32.609 32.500 -0.027 0.000 0.732 96 K HN 0.312 nan 8.250 nan 0.000 0.451 97 Q N -0.059 119.722 119.800 -0.032 0.000 2.137 97 Q HA -0.077 4.262 4.340 -0.001 0.000 0.198 97 Q C 2.139 178.126 176.000 -0.022 0.000 0.960 97 Q CA 0.955 56.742 55.803 -0.027 0.000 0.847 97 Q CB -0.245 28.471 28.738 -0.037 0.000 0.915 97 Q HN 0.320 nan 8.270 nan 0.000 0.448 98 R N 0.879 121.362 120.500 -0.028 0.000 2.081 98 R HA -0.114 4.225 4.340 -0.001 0.000 0.235 98 R C -0.184 176.107 176.300 -0.015 0.000 1.131 98 R CA 1.502 57.588 56.100 -0.024 0.000 0.960 98 R CB 0.224 30.504 30.300 -0.033 0.000 0.856 98 R HN -0.004 nan 8.270 nan 0.000 0.436 99 D N -1.106 119.285 120.400 -0.016 0.000 2.346 99 D HA 0.233 4.872 4.640 -0.001 0.000 0.255 99 D C -2.214 174.084 176.300 -0.004 0.000 1.276 99 D CA -2.453 51.543 54.000 -0.007 0.000 0.941 99 D CB 1.934 42.729 40.800 -0.008 0.000 1.199 99 D HN -0.123 nan 8.370 nan 0.000 0.537 100 P HA -0.125 nan 4.420 nan 0.000 0.222 100 P C 1.189 178.496 177.300 0.013 0.000 1.142 100 P CA 1.452 64.556 63.100 0.007 0.000 0.788 100 P CB 0.230 31.937 31.700 0.010 0.000 0.767 101 K N -0.479 119.929 120.400 0.014 0.000 2.365 101 K HA 0.005 4.324 4.320 -0.001 0.000 0.199 101 K C 1.088 177.704 176.600 0.026 0.000 1.045 101 K CA 0.585 56.886 56.287 0.023 0.000 0.962 101 K CB -1.320 31.195 32.500 0.025 0.000 0.759 101 K HN 0.230 nan 8.250 nan 0.000 0.469 102 M N 1.771 121.378 119.600 0.013 0.000 2.248 102 M HA -0.019 4.461 4.480 -0.001 0.000 0.343 102 M C 0.646 176.965 176.300 0.031 0.000 1.243 102 M CA 1.195 56.501 55.300 0.009 0.000 1.025 102 M CB 0.778 33.369 32.600 -0.015 0.000 1.759 102 M HN 0.358 nan 8.290 nan 0.000 0.452 103 S N 3.064 118.799 115.700 0.058 0.000 2.787 103 S HA 0.253 4.722 4.470 -0.001 0.000 0.255 103 S C -0.135 174.545 174.600 0.133 0.000 1.051 103 S CA -0.571 57.681 58.200 0.085 0.000 1.124 103 S CB 0.293 63.550 63.200 0.095 0.000 1.104 103 S HN 0.795 nan 8.310 nan 0.000 0.623 104 C N 0.992 120.386 119.300 0.156 0.000 3.082 104 C HA 0.762 5.222 4.460 -0.001 0.000 0.324 104 C C -1.885 173.262 174.990 0.262 0.000 1.210 104 C CA -0.724 58.451 59.018 0.262 0.000 1.366 104 C CB 0.947 28.916 27.740 0.382 0.000 1.756 104 C HN 0.600 nan 8.230 nan 0.000 0.485 105 I N 4.382 125.135 120.570 0.304 0.000 2.478 105 I HA 0.502 4.671 4.170 -0.001 0.000 0.287 105 I C -0.393 175.941 176.117 0.362 0.000 1.042 105 I CA -0.447 61.019 61.300 0.277 0.000 1.067 105 I CB 1.651 39.734 38.000 0.137 0.000 1.233 105 I HN 0.578 nan 8.210 nan 0.000 0.431 106 R N 5.201 125.950 120.500 0.415 0.000 2.393 106 R HA 0.699 5.039 4.340 -0.001 0.000 0.315 106 R C -1.201 175.230 176.300 0.218 0.000 0.952 106 R CA -0.716 55.544 56.100 0.267 0.000 0.842 106 R CB 2.501 32.819 30.300 0.030 0.000 1.163 106 R HN 0.295 nan 8.270 nan 0.000 0.450 107 V N 2.336 122.356 119.914 0.178 0.000 2.513 107 V HA 0.465 4.584 4.120 -0.001 0.000 0.299 107 V C -0.095 176.075 176.094 0.128 0.000 1.035 107 V CA -0.570 61.835 62.300 0.174 0.000 0.889 107 V CB 2.178 34.130 31.823 0.215 0.000 0.988 107 V HN 0.746 nan 8.190 nan 0.000 0.440 108 T N 5.750 120.372 114.554 0.113 0.000 2.841 108 T HA 0.665 5.014 4.350 -0.001 0.000 0.285 108 T C -0.577 174.152 174.700 0.050 0.000 0.991 108 T CA -0.179 61.955 62.100 0.057 0.000 0.966 108 T CB 1.069 69.945 68.868 0.013 0.000 0.962 108 T HN 0.412 nan 8.240 nan 0.000 0.438 109 I N 2.962 123.547 120.570 0.026 0.000 2.439 109 I HA 0.356 4.525 4.170 -0.001 0.000 0.285 109 I C -0.793 175.312 176.117 -0.020 0.000 1.021 109 I CA -0.677 60.617 61.300 -0.010 0.000 1.091 109 I CB 1.714 39.697 38.000 -0.028 0.000 1.242 109 I HN 0.490 nan 8.210 nan 0.000 0.439 110 D N 8.853 129.233 120.400 -0.033 0.000 2.432 110 D HA 0.330 4.970 4.640 -0.001 0.000 0.265 110 D C -1.971 174.317 176.300 -0.020 0.000 1.160 110 D CA -2.170 51.816 54.000 -0.024 0.000 0.911 110 D CB 1.902 42.687 40.800 -0.025 0.000 1.052 110 D HN 0.103 nan 8.370 nan 0.000 0.508 111 P HA -0.154 nan 4.420 nan 0.000 0.215 111 P C 1.226 178.529 177.300 0.005 0.000 1.157 111 P CA 0.934 64.032 63.100 -0.004 0.000 0.874 111 P CB 0.406 32.105 31.700 -0.003 0.000 0.790 112 E N -0.526 119.675 120.200 0.003 0.000 2.070 112 E HA -0.211 4.138 4.350 -0.001 0.000 0.197 112 E C 1.067 177.672 176.600 0.009 0.000 1.004 112 E CA 1.208 57.612 56.400 0.006 0.000 0.805 112 E CB -0.292 29.410 29.700 0.003 0.000 0.744 112 E HN 0.185 nan 8.360 nan 0.000 0.451 113 N N 0.756 119.458 118.700 0.004 0.000 2.270 113 N HA -0.045 4.694 4.740 -0.001 0.000 0.198 113 N C -0.237 175.279 175.510 0.011 0.000 1.117 113 N CA 0.224 53.278 53.050 0.007 0.000 0.845 113 N CB 0.242 38.728 38.487 -0.001 0.000 0.980 113 N HN 0.168 nan 8.380 nan 0.000 0.486 114 N N 0.862 119.568 118.700 0.011 0.000 2.714 114 N HA -0.188 4.551 4.740 -0.001 0.000 0.253 114 N C -1.453 174.052 175.510 -0.009 0.000 1.024 114 N CA 0.463 53.523 53.050 0.018 0.000 0.726 114 N CB -1.270 37.250 38.487 0.054 0.000 0.908 114 N HN 0.309 nan 8.380 nan 0.000 0.542 115 L N 0.946 122.140 121.223 -0.048 0.000 2.385 115 L HA 0.637 4.976 4.340 -0.001 0.000 0.273 115 L C 0.054 176.824 176.870 -0.166 0.000 0.990 115 L CA -0.821 53.961 54.840 -0.098 0.000 0.821 115 L CB 1.555 43.581 42.059 -0.056 0.000 1.279 115 L HN 0.097 nan 8.230 nan 0.000 0.412 116 I N 1.763 122.129 120.570 -0.340 0.000 2.582 116 I HA 0.416 4.585 4.170 -0.001 0.000 0.292 116 I C -0.579 175.375 176.117 -0.273 0.000 1.066 116 I CA -0.312 60.777 61.300 -0.351 0.000 1.053 116 I CB 2.334 39.962 38.000 -0.620 0.000 1.241 116 I HN 0.459 nan 8.210 nan 0.000 0.421 117 S N 6.704 122.382 115.700 -0.037 0.000 2.538 117 S HA 0.703 5.172 4.470 -0.001 0.000 0.288 117 S C -1.184 173.504 174.600 0.147 0.000 1.108 117 S CA -0.546 57.686 58.200 0.055 0.000 0.971 117 S CB 1.277 64.500 63.200 0.039 0.000 1.041 117 S HN 0.380 nan 8.310 nan 0.000 0.483 118 I N 4.137 124.815 120.570 0.180 0.000 2.439 118 I HA 0.368 4.537 4.170 -0.001 0.000 0.283 118 I C -0.933 175.318 176.117 0.223 0.000 1.023 118 I CA -0.446 60.965 61.300 0.184 0.000 1.100 118 I CB 1.246 39.323 38.000 0.128 0.000 1.238 118 I HN 0.832 nan 8.210 nan 0.000 0.445 119 W N 8.667 129.991 121.300 0.039 0.000 2.606 119 W HA 0.562 5.221 4.660 -0.001 0.000 0.332 119 W C -0.671 175.878 176.519 0.050 0.000 1.052 119 W CA -0.140 57.230 57.345 0.043 0.000 1.223 119 W CB 1.274 30.736 29.460 0.004 0.000 1.383 119 W HN 0.597 nan 8.180 nan 0.000 0.524 120 N N 3.605 121.979 118.700 -0.544 0.000 2.396 120 N HA 0.342 5.081 4.740 -0.001 0.000 0.275 120 N C -1.282 173.635 175.510 -0.989 0.000 1.218 120 N CA -0.701 52.029 53.050 -0.534 0.000 0.812 120 N CB 1.491 39.854 38.487 -0.207 0.000 1.592 120 N HN 0.586 nan 8.380 nan 0.000 0.480 121 N N 0.061 118.371 118.700 -0.651 0.000 2.752 121 N HA 0.694 5.433 4.740 -0.001 0.000 0.316 121 N C 0.702 176.098 175.510 -0.189 0.000 1.343 121 N CA 0.461 53.251 53.050 -0.434 0.000 0.875 121 N CB -0.390 38.002 38.487 -0.158 0.000 1.120 121 N HN 0.994 nan 8.380 nan 0.000 0.562 122 G N -2.987 105.768 108.800 -0.074 0.000 2.757 122 G HA2 0.311 4.270 3.960 -0.001 0.000 0.638 122 G HA3 0.311 4.270 3.960 -0.001 0.000 0.638 122 G C -0.287 174.586 174.900 -0.045 0.000 1.344 122 G CA -0.079 44.998 45.100 -0.039 0.000 0.855 122 G HN 0.936 nan 8.290 nan 0.000 0.537 123 K N -0.197 120.189 120.400 -0.023 0.000 2.530 123 K HA 0.549 4.868 4.320 -0.001 0.000 0.280 123 K C 1.363 177.928 176.600 -0.058 0.000 1.004 123 K CA 1.552 57.830 56.287 -0.017 0.000 1.071 123 K CB -0.032 32.468 32.500 0.000 0.000 0.876 123 K HN 2.336 nan 8.250 nan 0.000 0.487 124 G N 0.575 109.332 108.800 -0.071 0.000 2.547 124 G HA2 0.550 4.509 3.960 -0.001 0.000 0.291 124 G HA3 0.550 4.509 3.960 -0.001 0.000 0.291 124 G C -0.011 174.834 174.900 -0.091 0.000 1.211 124 G CA -0.899 44.118 45.100 -0.138 0.000 0.950 124 G HN 0.802 nan 8.290 nan 0.000 0.504 125 I N 1.068 121.571 120.570 -0.111 0.000 2.529 125 I HA 0.137 4.307 4.170 -0.001 0.000 0.284 125 I C -1.898 174.128 176.117 -0.153 0.000 1.082 125 I CA -1.506 59.732 61.300 -0.103 0.000 1.406 125 I CB 1.528 39.480 38.000 -0.080 0.000 1.405 125 I HN 0.162 nan 8.210 nan 0.000 0.548 126 P HA -0.043 nan 4.420 nan 0.000 0.257 126 P C -0.508 176.475 177.300 -0.528 0.000 1.189 126 P CA 0.129 62.923 63.100 -0.509 0.000 0.780 126 P CB 0.057 31.445 31.700 -0.521 0.000 0.772 127 V N 6.174 125.836 119.914 -0.420 0.000 2.276 127 V HA 0.239 4.358 4.120 -0.001 0.000 0.249 127 V C 0.550 176.601 176.094 -0.070 0.000 1.160 127 V CA 0.253 62.511 62.300 -0.071 0.000 1.042 127 V CB 0.248 32.145 31.823 0.125 0.000 1.224 127 V HN 0.338 nan 8.190 nan 0.000 0.496 128 V N 3.332 123.061 119.914 -0.308 0.000 3.242 128 V HA 0.465 4.584 4.120 -0.001 0.000 0.298 128 V C -0.681 174.867 176.094 -0.910 0.000 1.352 128 V CA -0.753 61.223 62.300 -0.540 0.000 1.052 128 V CB 2.509 34.104 31.823 -0.379 0.000 1.101 128 V HN 0.794 nan 8.190 nan 0.000 0.446 129 E N 3.247 122.876 120.200 -0.952 0.000 2.316 129 E HA 0.164 4.514 4.350 -0.001 0.000 0.275 129 E C -0.681 175.768 176.600 -0.252 0.000 1.029 129 E CA -0.428 55.592 56.400 -0.634 0.000 0.871 129 E CB 0.433 29.896 29.700 -0.395 0.000 1.022 129 E HN 0.789 nan 8.360 nan 0.000 0.418 130 H N 5.018 123.961 119.070 -0.212 0.000 2.899 130 H HA 0.039 4.594 4.556 -0.001 0.000 0.303 130 H C 0.409 175.687 175.328 -0.083 0.000 1.042 130 H CA 0.620 56.593 56.048 -0.124 0.000 1.479 130 H CB 0.866 30.577 29.762 -0.085 0.000 1.493 130 H HN 0.621 nan 8.280 nan 0.000 0.534 131 K N 3.197 123.499 120.400 -0.164 0.000 2.280 131 K HA -0.058 4.261 4.320 -0.001 0.000 0.202 131 K C 1.697 178.327 176.600 0.050 0.000 1.047 131 K CA 0.893 57.145 56.287 -0.058 0.000 0.942 131 K CB 0.574 33.013 32.500 -0.101 0.000 0.739 131 K HN 0.316 nan 8.250 nan 0.000 0.457 132 V N 0.892 120.928 119.914 0.204 0.000 2.492 132 V HA -0.075 4.044 4.120 -0.001 0.000 0.241 132 V C 1.711 177.918 176.094 0.188 0.000 1.041 132 V CA 1.182 63.614 62.300 0.221 0.000 1.057 132 V CB -0.000 31.986 31.823 0.271 0.000 0.711 132 V HN 0.153 nan 8.190 nan 0.000 0.468 133 E N -0.084 120.254 120.200 0.229 0.000 2.481 133 E HA -0.009 4.340 4.350 -0.001 0.000 0.195 133 E C 0.309 176.932 176.600 0.038 0.000 1.047 133 E CA -0.005 56.384 56.400 -0.018 0.000 0.867 133 E CB -0.042 29.479 29.700 -0.299 0.000 0.858 133 E HN 0.355 nan 8.360 nan 0.000 0.513 134 K N 0.032 120.487 120.400 0.092 0.000 3.096 134 K HA -0.195 4.125 4.320 -0.001 0.000 0.266 134 K C 0.284 176.933 176.600 0.082 0.000 1.043 134 K CA 0.890 57.220 56.287 0.071 0.000 0.758 134 K CB -2.475 30.058 32.500 0.056 0.000 1.260 134 K HN 0.470 nan 8.250 nan 0.000 0.481 135 M N -3.717 115.938 119.600 0.092 0.000 2.732 135 M HA 0.383 4.862 4.480 -0.001 0.000 0.272 135 M C -0.809 175.578 176.300 0.145 0.000 1.203 135 M CA -1.200 54.193 55.300 0.154 0.000 0.841 135 M CB 1.412 34.099 32.600 0.145 0.000 1.685 135 M HN -0.076 nan 8.290 nan 0.000 0.492 136 Y N 0.972 121.326 120.300 0.090 0.000 2.620 136 Y HA 0.112 4.661 4.550 -0.001 0.000 0.330 136 Y C 1.628 177.501 175.900 -0.046 0.000 1.186 136 Y CA 0.111 58.233 58.100 0.037 0.000 1.467 136 Y CB 0.993 39.516 38.460 0.105 0.000 1.262 136 Y HN 0.547 nan 8.280 nan 0.000 0.550 137 V N 5.442 125.338 119.914 -0.031 0.000 2.250 137 V HA -0.338 3.781 4.120 -0.001 0.000 0.253 137 V C -0.813 175.221 176.094 -0.100 0.000 1.065 137 V CA 2.237 64.502 62.300 -0.060 0.000 1.039 137 V CB -1.537 30.220 31.823 -0.110 0.000 0.647 137 V HN 0.715 nan 8.190 nan 0.000 0.446 138 P HA -0.121 nan 4.420 nan 0.000 0.216 138 P C 1.632 178.954 177.300 0.037 0.000 1.150 138 P CA 1.917 64.852 63.100 -0.275 0.000 0.837 138 P CB -0.153 30.900 31.700 -1.079 0.000 0.786 139 A N -0.832 122.026 122.820 0.064 0.000 1.930 139 A HA -0.142 4.177 4.320 -0.001 0.000 0.217 139 A C 2.084 179.870 177.584 0.337 0.000 1.175 139 A CA 1.211 53.556 52.037 0.513 0.000 0.627 139 A CB -1.560 17.748 19.000 0.514 0.000 0.815 139 A HN 0.156 nan 8.150 nan 0.000 0.443 140 L N 0.716 122.019 121.223 0.133 0.000 2.005 140 L HA -0.077 4.262 4.340 -0.001 0.000 0.207 140 L C 2.183 179.013 176.870 -0.066 0.000 1.072 140 L CA 2.331 57.178 54.840 0.012 0.000 0.744 140 L CB -0.464 41.537 42.059 -0.097 0.000 0.895 140 L HN 0.567 nan 8.230 nan 0.000 0.433 141 I N -4.786 115.714 120.570 -0.117 0.000 3.291 141 I HA -0.018 4.151 4.170 -0.001 0.000 0.279 141 I C 1.178 177.005 176.117 -0.485 0.000 1.294 141 I CA 0.952 62.074 61.300 -0.296 0.000 1.428 141 I CB -0.341 37.440 38.000 -0.366 0.000 1.070 141 I HN 0.126 nan 8.210 nan 0.000 0.478 142 F N 1.281 121.119 119.950 -0.186 0.000 2.752 142 F HA 0.430 4.956 4.527 -0.001 0.000 0.310 142 F C 2.162 177.570 175.800 -0.652 0.000 1.097 142 F CA 0.316 58.113 58.000 -0.338 0.000 1.238 142 F CB 0.855 39.708 39.000 -0.245 0.000 1.061 142 F HN 0.060 nan 8.300 nan 0.000 0.591 143 G N -0.771 107.872 108.800 -0.262 0.000 3.228 143 G HA2 0.230 4.190 3.960 -0.001 0.000 0.245 143 G HA3 0.230 4.190 3.960 -0.001 0.000 0.245 143 G C 0.163 175.016 174.900 -0.079 0.000 1.051 143 G CA 0.080 45.029 45.100 -0.253 0.000 0.809 143 G HN 0.147 nan 8.290 nan 0.000 0.531 144 Q N 0.370 120.101 119.800 -0.114 0.000 2.305 144 Q HA 0.422 4.762 4.340 -0.001 0.000 0.271 144 Q C -0.740 175.166 176.000 -0.157 0.000 1.046 144 Q CA -0.649 55.096 55.803 -0.098 0.000 0.798 144 Q CB 2.747 31.449 28.738 -0.060 0.000 1.286 144 Q HN 0.090 nan 8.270 nan 0.000 0.435 145 L N 2.820 123.949 121.223 -0.156 0.000 2.483 145 L HA 0.085 4.424 4.340 -0.001 0.000 0.275 145 L C 0.567 177.288 176.870 -0.249 0.000 1.220 145 L CA 0.109 54.813 54.840 -0.226 0.000 0.833 145 L CB 0.110 42.059 42.059 -0.184 0.000 1.102 145 L HN 0.727 nan 8.230 nan 0.000 0.490 146 L N 0.805 121.797 121.223 -0.384 0.000 3.548 146 L HA -0.186 4.153 4.340 -0.001 0.000 0.443 146 L C -0.269 176.605 176.870 0.006 0.000 1.286 146 L CA 0.220 54.931 54.840 -0.215 0.000 0.863 146 L CB -2.260 39.679 42.059 -0.200 0.000 1.734 146 L HN 0.853 nan 8.230 nan 0.000 0.873 147 T N -2.972 111.524 114.554 -0.096 0.000 2.848 147 T HA 0.767 5.117 4.350 -0.001 0.000 0.285 147 T C -0.255 174.260 174.700 -0.307 0.000 0.995 147 T CA -0.146 61.888 62.100 -0.111 0.000 0.970 147 T CB 2.747 71.510 68.868 -0.176 0.000 0.976 147 T HN 0.297 nan 8.240 nan 0.000 0.441 148 S N 0.871 116.316 115.700 -0.425 0.000 2.587 148 S HA 0.568 5.038 4.470 -0.001 0.000 0.269 148 S C 0.267 174.605 174.600 -0.438 0.000 1.154 148 S CA -0.097 57.740 58.200 -0.606 0.000 0.824 148 S CB 1.119 63.650 63.200 -1.114 0.000 1.118 148 S HN 1.239 nan 8.310 nan 0.000 0.462 149 S N 1.299 116.800 115.700 -0.332 0.000 2.554 149 S HA 0.313 4.782 4.470 -0.001 0.000 0.226 149 S C 0.191 174.685 174.600 -0.177 0.000 0.980 149 S CA -0.410 57.675 58.200 -0.190 0.000 0.939 149 S CB -0.348 62.770 63.200 -0.138 0.000 0.832 149 S HN 0.587 nan 8.310 nan 0.000 0.486 150 N N 0.822 119.349 118.700 -0.288 0.000 2.328 150 N HA 0.220 4.959 4.740 -0.001 0.000 0.247 150 N C -0.659 174.803 175.510 -0.079 0.000 1.165 150 N CA -0.004 52.941 53.050 -0.175 0.000 0.873 150 N CB 0.173 38.559 38.487 -0.167 0.000 1.125 150 N HN 0.360 nan 8.380 nan 0.000 0.513 151 Y N 0.316 120.600 120.300 -0.027 0.000 2.466 151 Y HA 0.138 4.687 4.550 -0.001 0.000 0.272 151 Y C 0.630 176.522 175.900 -0.013 0.000 1.169 151 Y CA -0.453 57.634 58.100 -0.021 0.000 1.285 151 Y CB 0.221 38.663 38.460 -0.030 0.000 1.078 151 Y HN -0.063 nan 8.280 nan 0.000 0.523 152 D N 0.159 120.636 120.400 0.128 0.000 2.472 152 D HA 0.112 4.751 4.640 -0.001 0.000 0.234 152 D C 0.070 176.399 176.300 0.049 0.000 1.088 152 D CA -0.113 53.931 54.000 0.073 0.000 0.882 152 D CB 0.527 41.358 40.800 0.051 0.000 1.037 152 D HN 0.011 nan 8.370 nan 0.000 0.520 153 D N 1.838 122.267 120.400 0.048 0.000 2.378 153 D HA -0.096 4.543 4.640 -0.001 0.000 0.222 153 D C 0.902 177.216 176.300 0.023 0.000 0.980 153 D CA 0.443 54.463 54.000 0.034 0.000 0.907 153 D CB 0.346 41.167 40.800 0.034 0.000 0.899 153 D HN 0.468 nan 8.370 nan 0.000 0.527 154 D N 0.631 121.043 120.400 0.021 0.000 2.264 154 D HA -0.101 4.538 4.640 -0.001 0.000 0.208 154 D C 1.481 177.790 176.300 0.014 0.000 0.966 154 D CA 0.507 54.516 54.000 0.016 0.000 0.864 154 D CB -0.004 40.804 40.800 0.014 0.000 0.933 154 D HN 0.448 nan 8.370 nan 0.000 0.499 155 E N 0.746 120.955 120.200 0.014 0.000 2.418 155 E HA -0.052 4.297 4.350 -0.001 0.000 0.197 155 E C 0.127 176.733 176.600 0.010 0.000 1.026 155 E CA 0.084 56.490 56.400 0.010 0.000 0.862 155 E CB -0.014 29.689 29.700 0.006 0.000 0.799 155 E HN 0.202 nan 8.360 nan 0.000 0.518 156 K N 1.529 121.936 120.400 0.012 0.000 3.311 156 K HA -0.216 4.103 4.320 -0.001 0.000 0.270 156 K C -0.599 176.005 176.600 0.006 0.000 0.927 156 K CA 0.557 56.852 56.287 0.013 0.000 0.706 156 K CB -1.121 31.391 32.500 0.019 0.000 1.418 156 K HN 0.142 nan 8.250 nan 0.000 0.459 157 K N 0.032 120.431 120.400 -0.001 0.000 2.107 157 K HA 0.245 4.564 4.320 -0.001 0.000 0.251 157 K C 1.053 177.639 176.600 -0.023 0.000 1.012 157 K CA -0.081 56.198 56.287 -0.012 0.000 0.920 157 K CB 1.018 33.507 32.500 -0.019 0.000 1.033 157 K HN 0.151 nan 8.250 nan 0.000 0.478 158 V N -1.862 118.029 119.914 -0.037 0.000 2.887 158 V HA 0.110 4.229 4.120 -0.001 0.000 0.370 158 V C 0.091 176.148 176.094 -0.062 0.000 1.322 158 V CA -0.727 61.535 62.300 -0.062 0.000 1.267 158 V CB -0.406 31.363 31.823 -0.091 0.000 1.344 158 V HN 0.800 nan 8.190 nan 0.000 0.573 159 T N -2.468 112.059 114.554 -0.045 0.000 2.849 159 T HA 0.580 4.929 4.350 -0.001 0.000 0.284 159 T C 1.365 176.046 174.700 -0.031 0.000 1.004 159 T CA 0.330 62.402 62.100 -0.047 0.000 1.021 159 T CB 1.678 70.516 68.868 -0.051 0.000 1.013 159 T HN 0.402 nan 8.240 nan 0.000 0.527 160 G N -0.047 108.730 108.800 -0.039 0.000 2.539 160 G HA2 0.352 4.311 3.960 -0.001 0.000 0.215 160 G HA3 0.352 4.311 3.960 -0.001 0.000 0.215 160 G C 0.804 175.686 174.900 -0.030 0.000 1.141 160 G CA -0.078 45.006 45.100 -0.025 0.000 0.806 160 G HN 1.083 nan 8.290 nan 0.000 0.533 161 G N -0.557 108.211 108.800 -0.054 0.000 2.398 161 G HA2 0.411 4.371 3.960 -0.001 0.000 0.246 161 G HA3 0.411 4.371 3.960 -0.001 0.000 0.246 161 G C 0.429 175.304 174.900 -0.041 0.000 1.289 161 G CA -0.257 44.800 45.100 -0.071 0.000 0.869 161 G HN 0.308 nan 8.290 nan 0.000 0.543 162 R N 0.318 120.804 120.500 -0.023 0.000 2.880 162 R HA 0.089 4.428 4.340 -0.001 0.000 0.156 162 R C 1.768 178.113 176.300 0.075 0.000 0.884 162 R CA 0.321 56.442 56.100 0.035 0.000 1.623 162 R CB -0.130 30.249 30.300 0.132 0.000 1.687 162 R HN 0.588 nan 8.270 nan 0.000 0.538 163 N N -0.666 118.096 118.700 0.103 0.000 2.356 163 N HA 0.161 4.900 4.740 -0.001 0.000 0.178 163 N C 0.326 175.937 175.510 0.168 0.000 1.075 163 N CA 0.544 53.737 53.050 0.239 0.000 0.889 163 N CB 1.178 39.867 38.487 0.337 0.000 0.999 163 N HN 0.281 nan 8.380 nan 0.000 0.464 164 G N 0.299 109.057 108.800 -0.070 0.000 2.149 164 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.235 164 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.235 164 G C 0.040 174.818 174.900 -0.203 0.000 1.018 164 G CA 0.205 45.178 45.100 -0.212 0.000 0.728 164 G HN 0.433 nan 8.290 nan 0.000 0.508 165 Y N -0.813 119.453 120.300 -0.058 0.000 2.664 165 Y HA 0.288 4.837 4.550 -0.001 0.000 0.278 165 Y C 2.884 178.734 175.900 -0.084 0.000 1.130 165 Y CA 0.976 59.052 58.100 -0.040 0.000 1.260 165 Y CB -0.286 38.204 38.460 0.049 0.000 1.369 165 Y HN 0.265 nan 8.280 nan 0.000 0.499 166 G N 1.033 109.888 108.800 0.093 0.000 2.783 166 G HA2 -0.457 3.502 3.960 -0.001 0.000 0.225 166 G HA3 -0.457 3.502 3.960 -0.001 0.000 0.225 166 G C 1.817 176.690 174.900 -0.044 0.000 1.191 166 G CA 1.918 47.020 45.100 0.003 0.000 0.774 166 G HN 0.471 nan 8.290 nan 0.000 0.632 167 A N -0.034 122.726 122.820 -0.099 0.000 1.930 167 A HA 0.041 4.361 4.320 -0.001 0.000 0.217 167 A C 2.357 179.796 177.584 -0.241 0.000 1.175 167 A CA 2.319 54.308 52.037 -0.080 0.000 0.627 167 A CB -0.304 18.622 19.000 -0.123 0.000 0.815 167 A HN 0.348 nan 8.150 nan 0.000 0.443 168 K N -0.051 120.202 120.400 -0.246 0.000 2.148 168 K HA 0.104 4.423 4.320 -0.001 0.000 0.204 168 K C 1.672 178.135 176.600 -0.228 0.000 1.050 168 K CA 0.737 56.840 56.287 -0.306 0.000 0.942 168 K CB -0.419 31.948 32.500 -0.222 0.000 0.724 168 K HN 0.511 nan 8.250 nan 0.000 0.446 169 L N -0.291 120.888 121.223 -0.073 0.000 2.056 169 L HA -0.240 4.099 4.340 -0.001 0.000 0.207 169 L C 2.490 179.403 176.870 0.071 0.000 1.078 169 L CA 1.026 55.903 54.840 0.061 0.000 0.749 169 L CB -0.520 41.613 42.059 0.123 0.000 0.901 169 L HN 0.340 nan 8.230 nan 0.000 0.433 170 C N 0.272 119.515 119.300 -0.094 0.000 2.432 170 C HA -0.173 4.287 4.460 -0.001 0.000 0.277 170 C C 2.803 177.619 174.990 -0.289 0.000 1.249 170 C CA 1.316 60.238 59.018 -0.160 0.000 1.725 170 C CB -0.974 26.609 27.740 -0.261 0.000 2.028 170 C HN 0.595 nan 8.230 nan 0.000 0.477 171 N N 0.911 119.155 118.700 -0.760 0.000 2.043 171 N HA -0.102 4.637 4.740 -0.001 0.000 0.193 171 N C 1.563 176.864 175.510 -0.349 0.000 1.037 171 N CA 2.146 54.629 53.050 -0.946 0.000 0.851 171 N CB -0.611 37.135 38.487 -1.236 0.000 1.027 171 N HN 0.629 nan 8.380 nan 0.000 0.422 172 I N -0.601 119.782 120.570 -0.310 0.000 2.335 172 I HA -0.233 3.936 4.170 -0.001 0.000 0.251 172 I C 0.716 176.577 176.117 -0.427 0.000 1.129 172 I CA 0.899 61.993 61.300 -0.342 0.000 1.402 172 I CB -0.241 37.512 38.000 -0.412 0.000 1.069 172 I HN 0.012 nan 8.210 nan 0.000 0.424 173 F N 0.382 120.296 119.950 -0.059 0.000 2.713 173 F HA 0.207 4.734 4.527 -0.001 0.000 0.294 173 F C 0.729 176.596 175.800 0.111 0.000 1.152 173 F CA -0.002 58.001 58.000 0.005 0.000 1.385 173 F CB -0.067 39.012 39.000 0.133 0.000 0.981 173 F HN -0.181 nan 8.300 nan 0.000 0.514 174 S N -1.123 114.689 115.700 0.186 0.000 2.542 174 S HA 0.273 4.743 4.470 -0.001 0.000 0.293 174 S C 1.058 175.780 174.600 0.205 0.000 1.089 174 S CA -0.470 57.909 58.200 0.298 0.000 0.961 174 S CB 1.677 65.144 63.200 0.445 0.000 1.062 174 S HN 0.311 nan 8.310 nan 0.000 0.483 175 T N -1.445 113.238 114.554 0.216 0.000 3.043 175 T HA 0.319 4.669 4.350 -0.001 0.000 0.263 175 T C 0.522 175.334 174.700 0.187 0.000 1.094 175 T CA 0.671 62.864 62.100 0.155 0.000 1.127 175 T CB -0.353 68.591 68.868 0.127 0.000 0.905 175 T HN 0.776 nan 8.240 nan 0.000 0.490 176 K N 0.461 121.015 120.400 0.257 0.000 2.553 176 K HA 0.664 4.983 4.320 -0.001 0.000 0.250 176 K C -1.883 174.965 176.600 0.413 0.000 0.953 176 K CA -0.986 55.467 56.287 0.276 0.000 0.800 176 K CB 1.264 33.875 32.500 0.186 0.000 1.243 176 K HN 0.297 nan 8.250 nan 0.000 0.435 177 F N 2.036 122.151 119.950 0.274 0.000 2.579 177 F HA 0.588 5.115 4.527 -0.001 0.000 0.325 177 F C -0.490 175.516 175.800 0.343 0.000 1.162 177 F CA -0.283 57.901 58.000 0.306 0.000 0.946 177 F CB 2.262 41.405 39.000 0.239 0.000 1.211 177 F HN 0.477 nan 8.300 nan 0.000 0.447 178 T N 5.629 120.114 114.554 -0.115 0.000 2.823 178 T HA 0.624 4.973 4.350 -0.001 0.000 0.279 178 T C -1.040 173.516 174.700 -0.240 0.000 0.998 178 T CA -0.596 61.479 62.100 -0.042 0.000 0.994 178 T CB 1.777 70.636 68.868 -0.014 0.000 0.960 178 T HN 0.296 nan 8.240 nan 0.000 0.448 179 V N 3.217 123.118 119.914 -0.021 0.000 2.409 179 V HA 0.510 4.629 4.120 -0.001 0.000 0.291 179 V C -0.135 175.989 176.094 0.050 0.000 1.020 179 V CA -0.703 61.520 62.300 -0.127 0.000 0.848 179 V CB 1.526 33.271 31.823 -0.130 0.000 0.990 179 V HN 0.894 nan 8.190 nan 0.000 0.430 180 E N 2.879 123.078 120.200 -0.002 0.000 2.224 180 E HA 0.656 5.006 4.350 -0.001 0.000 0.265 180 E C -1.213 175.367 176.600 -0.033 0.000 0.878 180 E CA -0.353 56.080 56.400 0.055 0.000 0.759 180 E CB 2.096 31.860 29.700 0.107 0.000 1.164 180 E HN 0.649 nan 8.360 nan 0.000 0.414 181 T N 2.331 116.825 114.554 -0.101 0.000 3.032 181 T HA 0.660 5.009 4.350 -0.001 0.000 0.312 181 T C -1.697 172.705 174.700 -0.496 0.000 1.078 181 T CA -0.300 61.600 62.100 -0.333 0.000 1.028 181 T CB 1.191 69.951 68.868 -0.180 0.000 1.091 181 T HN 0.499 nan 8.240 nan 0.000 0.457 182 A N 3.022 125.279 122.820 -0.938 0.000 2.318 182 A HA 0.771 5.091 4.320 -0.001 0.000 0.324 182 A C -0.047 177.169 177.584 -0.614 0.000 1.170 182 A CA -0.664 50.732 52.037 -1.069 0.000 0.810 182 A CB 1.381 19.130 19.000 -2.085 0.000 1.198 182 A HN 0.778 nan 8.150 nan 0.000 0.484 183 S N 1.824 117.366 115.700 -0.263 0.000 2.667 183 S HA 0.282 4.751 4.470 -0.001 0.000 0.304 183 S C 0.964 175.756 174.600 0.321 0.000 1.135 183 S CA -0.611 57.628 58.200 0.065 0.000 1.125 183 S CB 0.422 63.691 63.200 0.115 0.000 0.996 183 S HN 0.807 nan 8.310 nan 0.000 0.474 184 R N 3.196 123.948 120.500 0.420 0.000 2.120 184 R HA -0.089 4.250 4.340 -0.001 0.000 0.234 184 R C 1.866 178.282 176.300 0.194 0.000 1.123 184 R CA 1.974 58.288 56.100 0.357 0.000 0.975 184 R CB -0.200 30.235 30.300 0.225 0.000 0.866 184 R HN 0.830 nan 8.270 nan 0.000 0.446 185 E N -0.573 119.725 120.200 0.164 0.000 2.085 185 E HA -0.227 4.122 4.350 -0.001 0.000 0.194 185 E C 0.701 177.272 176.600 -0.048 0.000 0.994 185 E CA 1.349 57.776 56.400 0.045 0.000 0.801 185 E CB -0.021 29.711 29.700 0.053 0.000 0.743 185 E HN 0.498 nan 8.360 nan 0.000 0.453 186 Y N 0.052 120.399 120.300 0.079 0.000 2.468 186 Y HA 0.219 4.769 4.550 -0.001 0.000 0.268 186 Y C 0.134 176.101 175.900 0.111 0.000 1.177 186 Y CA 0.206 58.354 58.100 0.080 0.000 1.265 186 Y CB 0.448 38.953 38.460 0.074 0.000 1.103 186 Y HN -0.081 nan 8.280 nan 0.000 0.522 187 K N 0.391 120.934 120.400 0.239 0.000 3.016 187 K HA -0.257 4.062 4.320 -0.001 0.000 0.262 187 K C -0.690 176.068 176.600 0.264 0.000 1.043 187 K CA 0.884 57.302 56.287 0.219 0.000 0.761 187 K CB -1.489 31.087 32.500 0.126 0.000 1.230 187 K HN 0.333 nan 8.250 nan 0.000 0.485 188 K N -0.103 120.479 120.400 0.303 0.000 2.532 188 K HA 0.469 4.788 4.320 -0.001 0.000 0.265 188 K C -0.968 175.707 176.600 0.126 0.000 0.948 188 K CA -1.016 55.413 56.287 0.237 0.000 0.842 188 K CB 1.813 34.446 32.500 0.221 0.000 1.392 188 K HN -0.055 nan 8.250 nan 0.000 0.436 189 M N 3.327 122.962 119.600 0.059 0.000 2.383 189 M HA 0.436 4.915 4.480 -0.001 0.000 0.325 189 M C -1.808 174.494 176.300 0.004 0.000 1.092 189 M CA -0.676 54.555 55.300 -0.115 0.000 0.961 189 M CB 1.103 33.620 32.600 -0.139 0.000 1.672 189 M HN 0.722 nan 8.290 nan 0.000 0.438 190 F N 4.974 124.825 119.950 -0.164 0.000 2.495 190 F HA 0.635 5.161 4.527 -0.002 0.000 0.327 190 F C -1.136 174.597 175.800 -0.111 0.000 1.103 190 F CA -0.430 57.495 58.000 -0.124 0.000 0.949 190 F CB 1.060 40.011 39.000 -0.081 0.000 1.142 190 F HN 0.638 nan 8.300 nan 0.000 0.457 191 K N 5.557 125.475 120.400 -0.803 0.000 2.553 191 K HA 0.366 4.685 4.320 -0.001 0.000 0.250 191 K C -1.959 174.146 176.600 -0.825 0.000 0.953 191 K CA -0.577 55.378 56.287 -0.553 0.000 0.800 191 K CB 1.843 34.189 32.500 -0.258 0.000 1.243 191 K HN 0.880 nan 8.250 nan 0.000 0.435 192 Q N 1.994 121.470 119.800 -0.539 0.000 2.353 192 Q HA 0.383 4.722 4.340 -0.001 0.000 0.275 192 Q C -1.745 174.114 176.000 -0.234 0.000 1.029 192 Q CA -0.592 54.914 55.803 -0.495 0.000 0.848 192 Q CB 2.532 30.890 28.738 -0.633 0.000 1.390 192 Q HN 0.561 nan 8.270 nan 0.000 0.401 193 T N 2.588 116.962 114.554 -0.300 0.000 2.829 193 T HA 0.549 4.898 4.350 -0.001 0.000 0.280 193 T C -1.306 173.321 174.700 -0.122 0.000 0.999 193 T CA -0.438 61.639 62.100 -0.038 0.000 0.983 193 T CB 0.655 69.513 68.868 -0.017 0.000 0.968 193 T HN 0.339 nan 8.240 nan 0.000 0.446 194 W N 2.609 124.010 121.300 0.169 0.000 2.639 194 W HA 0.659 5.318 4.660 -0.002 0.000 0.347 194 W C -0.601 176.002 176.519 0.140 0.000 1.067 194 W CA -0.790 56.648 57.345 0.154 0.000 1.218 194 W CB 1.934 31.509 29.460 0.192 0.000 1.393 194 W HN 0.471 nan 8.180 nan 0.000 0.557 195 M N 0.856 120.628 119.600 0.287 0.000 2.667 195 M HA 0.249 4.728 4.480 -0.001 0.000 0.286 195 M C -0.629 175.756 176.300 0.141 0.000 1.270 195 M CA -0.583 54.831 55.300 0.190 0.000 0.826 195 M CB 1.008 33.675 32.600 0.112 0.000 1.743 195 M HN 0.256 nan 8.290 nan 0.000 0.460 196 D N 1.310 121.768 120.400 0.097 0.000 2.737 196 D HA -0.183 4.456 4.640 -0.001 0.000 0.238 196 D C -0.890 175.419 176.300 0.016 0.000 1.157 196 D CA 1.079 55.108 54.000 0.048 0.000 0.694 196 D CB -1.618 39.203 40.800 0.036 0.000 1.021 196 D HN 0.977 nan 8.370 nan 0.000 0.420 197 N N -0.722 117.977 118.700 -0.002 0.000 2.725 197 N HA -0.287 4.452 4.740 -0.001 0.000 0.251 197 N C 0.978 176.437 175.510 -0.085 0.000 1.031 197 N CA 0.937 53.930 53.050 -0.095 0.000 0.720 197 N CB -1.014 37.366 38.487 -0.178 0.000 0.930 197 N HN 0.643 nan 8.380 nan 0.000 0.543 198 M N -2.558 117.043 119.600 0.003 0.000 2.762 198 M HA -0.253 4.226 4.480 -0.001 0.000 0.190 198 M C 0.989 177.347 176.300 0.098 0.000 0.586 198 M CA 1.458 56.791 55.300 0.054 0.000 0.620 198 M CB -1.137 31.383 32.600 -0.133 0.000 2.269 198 M HN 0.568 nan 8.290 nan 0.000 0.563 199 G N 0.321 109.164 108.800 0.072 0.000 2.603 199 G HA2 0.115 4.075 3.960 -0.001 0.000 0.214 199 G HA3 0.115 4.075 3.960 -0.001 0.000 0.214 199 G C 0.508 175.456 174.900 0.081 0.000 1.140 199 G CA 0.079 45.211 45.100 0.053 0.000 0.800 199 G HN 0.489 nan 8.290 nan 0.000 0.533 200 R N -0.722 119.845 120.500 0.111 0.000 2.807 200 R HA 0.701 5.041 4.340 -0.001 0.000 0.276 200 R C -1.306 175.036 176.300 0.070 0.000 0.979 200 R CA -0.571 55.573 56.100 0.073 0.000 0.928 200 R CB 2.287 32.612 30.300 0.042 0.000 1.191 200 R HN 0.122 nan 8.270 nan 0.000 0.471 201 A N 0.792 123.577 122.820 -0.059 0.000 2.398 201 A HA 0.710 5.029 4.320 -0.001 0.000 0.301 201 A C -0.240 177.184 177.584 -0.267 0.000 1.041 201 A CA -0.598 51.254 52.037 -0.307 0.000 0.711 201 A CB 1.716 20.480 19.000 -0.392 0.000 1.240 201 A HN 0.772 nan 8.150 nan 0.000 0.420 202 G N -0.020 108.582 108.800 -0.331 0.000 2.535 202 G HA2 0.466 4.425 3.960 -0.001 0.000 0.282 202 G HA3 0.466 4.425 3.960 -0.001 0.000 0.282 202 G C -0.058 174.682 174.900 -0.267 0.000 1.350 202 G CA -0.415 44.543 45.100 -0.237 0.000 1.039 202 G HN 0.861 nan 8.290 nan 0.000 0.509 203 E N -0.282 119.792 120.200 -0.209 0.000 2.344 203 E HA 0.137 4.487 4.350 -0.001 0.000 0.270 203 E C 0.330 176.764 176.600 -0.277 0.000 1.021 203 E CA -0.368 55.912 56.400 -0.201 0.000 0.887 203 E CB 0.482 30.093 29.700 -0.149 0.000 0.997 203 E HN 0.403 nan 8.360 nan 0.000 0.429 204 M N 4.341 123.769 119.600 -0.288 0.000 2.219 204 M HA 0.072 4.551 4.480 -0.001 0.000 0.353 204 M C -0.843 175.225 176.300 -0.386 0.000 1.304 204 M CA 0.464 55.516 55.300 -0.413 0.000 1.115 204 M CB 0.430 32.843 32.600 -0.311 0.000 1.664 204 M HN 0.430 nan 8.290 nan 0.000 0.459 205 E N 5.746 125.658 120.200 -0.479 0.000 2.133 205 E HA 0.483 4.832 4.350 -0.001 0.000 0.274 205 E C -1.411 174.991 176.600 -0.329 0.000 0.930 205 E CA -0.441 55.761 56.400 -0.331 0.000 0.770 205 E CB 1.699 31.243 29.700 -0.261 0.000 1.104 205 E HN 0.690 nan 8.360 nan 0.000 0.403 206 L N 3.264 124.357 121.223 -0.218 0.000 2.346 206 L HA 0.578 4.917 4.340 -0.001 0.000 0.276 206 L C -0.300 176.538 176.870 -0.053 0.000 1.006 206 L CA -0.714 54.042 54.840 -0.141 0.000 0.817 206 L CB 1.473 43.437 42.059 -0.159 0.000 1.272 206 L HN 0.338 nan 8.230 nan 0.000 0.421 207 K N 2.741 123.145 120.400 0.006 0.000 2.527 207 K HA 0.477 4.797 4.320 -0.001 0.000 0.260 207 K C -2.718 173.953 176.600 0.119 0.000 0.937 207 K CA -1.847 54.472 56.287 0.053 0.000 0.826 207 K CB 2.551 35.086 32.500 0.057 0.000 1.359 207 K HN 0.177 nan 8.250 nan 0.000 0.434 208 P HA 0.053 nan 4.420 nan 0.000 0.267 208 P C -1.322 176.122 177.300 0.241 0.000 1.200 208 P CA 0.074 63.264 63.100 0.150 0.000 0.772 208 P CB 0.302 32.059 31.700 0.094 0.000 0.855 209 F N 1.085 121.073 119.950 0.064 0.000 2.596 209 F HA 0.562 5.088 4.527 -0.002 0.000 0.311 209 F C -0.118 175.722 175.800 0.065 0.000 1.116 209 F CA -0.131 57.911 58.000 0.070 0.000 0.957 209 F CB 1.008 40.052 39.000 0.073 0.000 1.250 209 F HN 0.338 nan 8.300 nan 0.000 0.444 210 N N 2.575 120.827 118.700 -0.746 0.000 2.475 210 N HA 0.524 5.264 4.740 -0.001 0.000 0.272 210 N C -0.105 174.990 175.510 -0.691 0.000 1.482 210 N CA -0.111 52.622 53.050 -0.528 0.000 0.863 210 N CB 0.498 38.849 38.487 -0.226 0.000 1.400 210 N HN 0.987 nan 8.380 nan 0.000 0.489 211 G N -1.083 106.839 108.800 -1.464 0.000 2.990 211 G HA2 0.637 4.596 3.960 -0.001 0.000 0.208 211 G HA3 0.637 4.596 3.960 -0.001 0.000 0.208 211 G C -0.065 174.789 174.900 -0.077 0.000 1.334 211 G CA 0.533 45.247 45.100 -0.644 0.000 1.024 211 G HN 0.715 nan 8.290 nan 0.000 0.574 212 E N 0.424 120.784 120.200 0.267 0.000 2.259 212 E HA 0.450 4.800 4.350 -0.001 0.000 0.281 212 E C -0.473 176.462 176.600 0.559 0.000 1.037 212 E CA -0.576 56.030 56.400 0.342 0.000 0.854 212 E CB 0.223 30.080 29.700 0.262 0.000 1.051 212 E HN 0.415 nan 8.360 nan 0.000 0.409 213 D N 0.714 121.337 120.400 0.372 0.000 2.419 213 D HA 0.401 5.040 4.640 -0.001 0.000 0.236 213 D C 0.004 176.375 176.300 0.119 0.000 1.165 213 D CA 1.313 55.419 54.000 0.177 0.000 0.882 213 D CB 0.082 40.919 40.800 0.062 0.000 1.201 213 D HN 0.671 nan 8.370 nan 0.000 0.443 214 Y N -3.053 117.144 120.300 -0.172 0.000 2.732 214 Y HA 0.540 5.090 4.550 -0.001 0.000 0.342 214 Y C -1.483 174.207 175.900 -0.351 0.000 1.203 214 Y CA -1.058 56.808 58.100 -0.389 0.000 1.092 214 Y CB 0.827 39.075 38.460 -0.354 0.000 1.345 214 Y HN 0.163 nan 8.280 nan 0.000 0.458 215 T N 2.051 116.412 114.554 -0.321 0.000 2.971 215 T HA 0.507 4.856 4.350 -0.001 0.000 0.304 215 T C -1.841 172.796 174.700 -0.106 0.000 1.038 215 T CA -0.473 61.503 62.100 -0.207 0.000 1.007 215 T CB 1.266 70.034 68.868 -0.165 0.000 1.055 215 T HN 0.952 nan 8.240 nan 0.000 0.451 216 C N 5.845 125.176 119.300 0.052 0.000 2.446 216 C HA 0.703 5.163 4.460 -0.001 0.000 0.329 216 C C -1.255 173.746 174.990 0.018 0.000 1.166 216 C CA -0.809 58.296 59.018 0.145 0.000 1.341 216 C CB -0.696 27.267 27.740 0.373 0.000 1.970 216 C HN 0.776 nan 8.230 nan 0.000 0.452 217 I N 5.918 126.486 120.570 -0.004 0.000 2.339 217 I HA 0.397 4.566 4.170 -0.001 0.000 0.290 217 I C 0.408 176.519 176.117 -0.010 0.000 0.994 217 I CA 0.179 61.400 61.300 -0.132 0.000 1.191 217 I CB 1.437 39.380 38.000 -0.096 0.000 1.343 217 I HN 0.635 nan 8.210 nan 0.000 0.458 218 T N 7.756 122.256 114.554 -0.091 0.000 2.812 218 T HA 0.703 5.053 4.350 -0.001 0.000 0.282 218 T C -0.505 174.231 174.700 0.060 0.000 0.990 218 T CA -0.405 61.694 62.100 -0.002 0.000 0.960 218 T CB 1.068 69.927 68.868 -0.015 0.000 0.948 218 T HN 0.396 nan 8.240 nan 0.000 0.438 219 F N 0.220 120.178 119.950 0.013 0.000 2.613 219 F HA 0.687 5.214 4.527 -0.001 0.000 0.310 219 F C -0.889 175.019 175.800 0.179 0.000 1.085 219 F CA -1.284 56.796 58.000 0.134 0.000 0.945 219 F CB 1.672 40.863 39.000 0.317 0.000 1.298 219 F HN 0.262 nan 8.300 nan 0.000 0.455 220 Q N 2.813 122.820 119.800 0.344 0.000 2.413 220 Q HA 0.382 4.721 4.340 -0.001 0.000 0.258 220 Q C -2.690 173.547 176.000 0.395 0.000 1.037 220 Q CA -2.112 53.828 55.803 0.230 0.000 0.764 220 Q CB 1.866 30.706 28.738 0.169 0.000 1.217 220 Q HN 0.325 nan 8.270 nan 0.000 0.490 221 P HA -0.114 nan 4.420 nan 0.000 0.265 221 P C -0.520 177.022 177.300 0.403 0.000 1.193 221 P CA -0.004 63.436 63.100 0.566 0.000 0.765 221 P CB 0.524 32.561 31.700 0.561 0.000 0.823 222 D N 3.410 124.021 120.400 0.352 0.000 2.470 222 D HA 0.037 4.676 4.640 -0.001 0.000 0.226 222 D C 1.128 177.509 176.300 0.135 0.000 1.196 222 D CA 0.120 54.218 54.000 0.162 0.000 0.979 222 D CB -0.159 40.663 40.800 0.037 0.000 1.059 222 D HN 0.267 nan 8.370 nan 0.000 0.515 223 L N 1.862 123.221 121.223 0.226 0.000 2.265 223 L HA -0.158 4.181 4.340 -0.001 0.000 0.215 223 L C 2.265 179.220 176.870 0.141 0.000 1.117 223 L CA 0.448 55.450 54.840 0.271 0.000 0.782 223 L CB -0.292 41.895 42.059 0.214 0.000 0.914 223 L HN 0.246 nan 8.230 nan 0.000 0.441 224 S N -0.179 115.555 115.700 0.056 0.000 2.368 224 S HA -0.126 4.343 4.470 -0.001 0.000 0.225 224 S C 1.913 176.493 174.600 -0.034 0.000 1.030 224 S CA 1.072 59.283 58.200 0.019 0.000 0.999 224 S CB -0.077 63.125 63.200 0.005 0.000 0.844 224 S HN 0.347 nan 8.310 nan 0.000 0.459 225 K N 0.522 120.829 120.400 -0.156 0.000 2.283 225 K HA 0.036 4.355 4.320 -0.001 0.000 0.202 225 K C 0.723 177.149 176.600 -0.291 0.000 1.048 225 K CA 0.864 56.988 56.287 -0.271 0.000 0.948 225 K CB -0.283 31.966 32.500 -0.419 0.000 0.742 225 K HN 0.432 nan 8.250 nan 0.000 0.458 226 F N 0.696 120.712 119.950 0.110 0.000 2.678 226 F HA 0.240 4.766 4.527 -0.001 0.000 0.305 226 F C 0.151 175.979 175.800 0.048 0.000 1.090 226 F CA -0.719 57.323 58.000 0.070 0.000 1.272 226 F CB -0.048 38.999 39.000 0.078 0.000 1.060 226 F HN -0.162 nan 8.300 nan 0.000 0.576 227 K N 0.897 121.393 120.400 0.161 0.000 3.278 227 K HA -0.217 4.102 4.320 -0.001 0.000 0.270 227 K C -0.375 176.295 176.600 0.116 0.000 0.955 227 K CA 0.490 56.841 56.287 0.107 0.000 0.723 227 K CB -1.459 31.086 32.500 0.076 0.000 1.382 227 K HN 0.354 nan 8.250 nan 0.000 0.461 228 M N -0.203 119.483 119.600 0.144 0.000 2.602 228 M HA 0.185 4.664 4.480 -0.001 0.000 0.312 228 M C 1.104 177.463 176.300 0.099 0.000 1.181 228 M CA -0.891 54.482 55.300 0.122 0.000 0.910 228 M CB 1.833 34.526 32.600 0.155 0.000 1.723 228 M HN -0.041 nan 8.290 nan 0.000 0.459 229 Q N 0.347 120.191 119.800 0.073 0.000 2.204 229 Q HA 0.136 4.475 4.340 -0.001 0.000 0.198 229 Q C 0.296 176.333 176.000 0.062 0.000 0.946 229 Q CA 0.805 56.643 55.803 0.059 0.000 0.859 229 Q CB 0.584 29.347 28.738 0.042 0.000 0.946 229 Q HN 0.882 nan 8.270 nan 0.000 0.474 230 S N -1.732 114.006 115.700 0.063 0.000 2.656 230 S HA 0.354 4.823 4.470 -0.001 0.000 0.265 230 S C -1.086 173.545 174.600 0.051 0.000 1.132 230 S CA -0.912 57.323 58.200 0.058 0.000 0.819 230 S CB 0.174 63.397 63.200 0.039 0.000 1.119 230 S HN 0.084 nan 8.310 nan 0.000 0.476 231 L N 2.835 124.081 121.223 0.037 0.000 2.454 231 L HA 0.310 4.649 4.340 -0.001 0.000 0.284 231 L C 0.101 176.972 176.870 0.003 0.000 1.139 231 L CA -0.495 54.355 54.840 0.016 0.000 0.911 231 L CB -0.933 41.124 42.059 -0.004 0.000 1.262 231 L HN 0.721 nan 8.230 nan 0.000 0.453 232 D N 1.630 122.033 120.400 0.005 0.000 2.447 232 D HA 0.031 4.670 4.640 -0.001 0.000 0.265 232 D C 1.051 177.341 176.300 -0.016 0.000 1.250 232 D CA -0.670 53.330 54.000 -0.001 0.000 1.046 232 D CB 0.833 41.636 40.800 0.007 0.000 1.095 232 D HN 0.183 nan 8.370 nan 0.000 0.555 233 K N -0.582 119.809 120.400 -0.016 0.000 2.020 233 K HA -0.245 4.074 4.320 -0.001 0.000 0.212 233 K C 1.159 177.734 176.600 -0.042 0.000 1.050 233 K CA 1.882 58.155 56.287 -0.024 0.000 0.929 233 K CB -0.215 32.272 32.500 -0.021 0.000 0.714 233 K HN 0.347 nan 8.250 nan 0.000 0.443 234 D N 0.633 121.007 120.400 -0.044 0.000 2.092 234 D HA -0.183 4.457 4.640 -0.001 0.000 0.193 234 D C 1.851 178.078 176.300 -0.122 0.000 0.994 234 D CA 1.103 55.060 54.000 -0.072 0.000 0.828 234 D CB -0.258 40.523 40.800 -0.030 0.000 0.963 234 D HN 0.237 nan 8.370 nan 0.000 0.450 235 I N 0.355 120.875 120.570 -0.084 0.000 2.226 235 I HA -0.204 3.965 4.170 -0.001 0.000 0.245 235 I C 2.072 178.082 176.117 -0.178 0.000 1.100 235 I CA 0.939 62.160 61.300 -0.133 0.000 1.374 235 I CB -0.145 37.821 38.000 -0.057 0.000 1.057 235 I HN -0.161 nan 8.210 nan 0.000 0.413 236 V N 1.165 121.008 119.914 -0.119 0.000 2.407 236 V HA -0.273 3.847 4.120 -0.001 0.000 0.248 236 V C 2.741 178.787 176.094 -0.081 0.000 1.055 236 V CA 1.737 63.971 62.300 -0.110 0.000 1.049 236 V CB -1.517 30.273 31.823 -0.055 0.000 0.662 236 V HN 0.570 nan 8.190 nan 0.000 0.455 237 A N -0.467 122.314 122.820 -0.066 0.000 1.933 237 A HA -0.157 4.162 4.320 -0.001 0.000 0.218 237 A C 2.126 179.683 177.584 -0.044 0.000 1.175 237 A CA 1.618 53.646 52.037 -0.014 0.000 0.628 237 A CB -0.469 18.505 19.000 -0.045 0.000 0.814 237 A HN 0.400 nan 8.150 nan 0.000 0.444 238 L N -0.733 120.363 121.223 -0.212 0.000 2.027 238 L HA -0.054 4.285 4.340 -0.001 0.000 0.206 238 L C 2.661 179.451 176.870 -0.134 0.000 1.074 238 L CA 1.843 56.460 54.840 -0.370 0.000 0.745 238 L CB -0.897 40.606 42.059 -0.927 0.000 0.898 238 L HN 0.417 nan 8.230 nan 0.000 0.433 239 M N -2.054 117.447 119.600 -0.165 0.000 2.175 239 M HA -0.173 4.307 4.480 -0.001 0.000 0.264 239 M C 2.128 178.489 176.300 0.102 0.000 1.063 239 M CA 1.124 56.327 55.300 -0.161 0.000 1.119 239 M CB -0.373 31.762 32.600 -0.774 0.000 1.377 239 M HN 0.041 nan 8.290 nan 0.000 0.415 240 V N 0.069 120.034 119.914 0.084 0.000 2.358 240 V HA -0.232 3.888 4.120 -0.001 0.000 0.246 240 V C 2.461 178.741 176.094 0.310 0.000 1.047 240 V CA 1.648 64.049 62.300 0.169 0.000 1.035 240 V CB -0.820 31.091 31.823 0.146 0.000 0.658 240 V HN 0.464 nan 8.190 nan 0.000 0.452 241 R N 0.201 120.899 120.500 0.331 0.000 2.096 241 R HA -0.195 4.145 4.340 -0.001 0.000 0.235 241 R C 2.455 179.037 176.300 0.471 0.000 1.127 241 R CA 1.714 58.068 56.100 0.423 0.000 0.968 241 R CB -0.224 30.302 30.300 0.377 0.000 0.861 241 R HN 0.319 nan 8.270 nan 0.000 0.440 242 R N 0.512 121.283 120.500 0.453 0.000 2.120 242 R HA -0.054 4.285 4.340 -0.001 0.000 0.234 242 R C 1.942 178.450 176.300 0.347 0.000 1.123 242 R CA 1.763 58.147 56.100 0.474 0.000 0.975 242 R CB -0.530 30.149 30.300 0.631 0.000 0.866 242 R HN 0.307 nan 8.270 nan 0.000 0.446 243 A N -1.064 121.951 122.820 0.326 0.000 1.930 243 A HA -0.123 4.196 4.320 -0.001 0.000 0.217 243 A C 1.926 179.523 177.584 0.022 0.000 1.175 243 A CA 1.183 53.312 52.037 0.154 0.000 0.627 243 A CB -0.703 18.364 19.000 0.111 0.000 0.815 243 A HN 0.465 nan 8.150 nan 0.000 0.443 244 Y N 0.586 120.927 120.300 0.069 0.000 2.242 244 Y HA -0.181 4.368 4.550 -0.002 0.000 0.291 244 Y C 2.178 178.051 175.900 -0.044 0.000 1.137 244 Y CA 1.495 59.634 58.100 0.066 0.000 1.181 244 Y CB -0.122 38.444 38.460 0.176 0.000 0.989 244 Y HN 0.318 nan 8.280 nan 0.000 0.527 245 D N -0.030 120.444 120.400 0.124 0.000 2.104 245 D HA -0.201 4.438 4.640 -0.001 0.000 0.194 245 D C 2.183 178.196 176.300 -0.479 0.000 0.994 245 D CA 1.322 55.130 54.000 -0.320 0.000 0.830 245 D CB -0.294 40.562 40.800 0.093 0.000 0.959 245 D HN 0.184 nan 8.370 nan 0.000 0.452 246 I N 1.119 121.570 120.570 -0.199 0.000 2.163 246 I HA -0.219 3.950 4.170 -0.001 0.000 0.243 246 I C 2.428 178.428 176.117 -0.196 0.000 1.085 246 I CA 0.921 62.111 61.300 -0.182 0.000 1.347 246 I CB -1.269 36.682 38.000 -0.081 0.000 1.044 246 I HN -0.090 nan 8.210 nan 0.000 0.408 247 A N 0.645 123.362 122.820 -0.171 0.000 2.019 247 A HA -0.088 4.232 4.320 -0.001 0.000 0.219 247 A C 2.416 179.917 177.584 -0.138 0.000 1.164 247 A CA 1.854 53.805 52.037 -0.144 0.000 0.644 247 A CB -1.109 17.790 19.000 -0.168 0.000 0.805 247 A HN 0.475 nan 8.150 nan 0.000 0.449 248 G N -0.841 107.802 108.800 -0.261 0.000 2.539 248 G HA2 0.050 4.010 3.960 -0.001 0.000 0.215 248 G HA3 0.050 4.010 3.960 -0.001 0.000 0.215 248 G C 1.771 176.572 174.900 -0.165 0.000 1.141 248 G CA 1.248 46.205 45.100 -0.238 0.000 0.806 248 G HN 0.778 nan 8.290 nan 0.000 0.533 249 S N 0.345 115.822 115.700 -0.371 0.000 2.458 249 S HA 0.057 4.526 4.470 -0.001 0.000 0.223 249 S C 1.456 175.932 174.600 -0.206 0.000 1.019 249 S CA 0.876 58.867 58.200 -0.349 0.000 0.937 249 S CB -0.438 62.423 63.200 -0.564 0.000 0.788 249 S HN 0.430 nan 8.310 nan 0.000 0.511 250 T N 0.420 114.878 114.554 -0.160 0.000 2.788 250 T HA 0.511 4.860 4.350 -0.001 0.000 0.280 250 T C -0.609 174.056 174.700 -0.058 0.000 0.984 250 T CA -0.768 61.270 62.100 -0.102 0.000 0.972 250 T CB 0.748 69.567 68.868 -0.083 0.000 1.039 250 T HN 0.214 nan 8.240 nan 0.000 0.530 251 K N 0.893 121.271 120.400 -0.037 0.000 2.376 251 K HA 0.308 4.627 4.320 -0.001 0.000 0.257 251 K C -1.033 175.568 176.600 0.001 0.000 0.939 251 K CA -0.802 55.480 56.287 -0.009 0.000 0.809 251 K CB 1.251 33.751 32.500 0.000 0.000 1.121 251 K HN 0.715 nan 8.250 nan 0.000 0.425 252 D N 0.907 121.314 120.400 0.011 0.000 2.699 252 D HA -0.133 4.506 4.640 -0.001 0.000 0.239 252 D C -0.966 175.347 176.300 0.023 0.000 1.136 252 D CA 0.788 54.800 54.000 0.019 0.000 0.668 252 D CB -0.969 39.845 40.800 0.024 0.000 1.060 252 D HN 0.110 nan 8.370 nan 0.000 0.429 253 V N 0.898 120.820 119.914 0.014 0.000 2.524 253 V HA 0.197 4.316 4.120 -0.001 0.000 0.297 253 V C 0.291 176.397 176.094 0.020 0.000 1.035 253 V CA -1.024 61.292 62.300 0.027 0.000 0.867 253 V CB 2.318 34.146 31.823 0.008 0.000 1.004 253 V HN -0.079 nan 8.190 nan 0.000 0.426 254 K N 3.713 124.152 120.400 0.064 0.000 2.234 254 K HA 0.604 4.923 4.320 -0.001 0.000 0.282 254 K C -0.631 175.996 176.600 0.045 0.000 1.039 254 K CA -0.412 55.885 56.287 0.016 0.000 0.928 254 K CB 2.198 34.765 32.500 0.112 0.000 1.039 254 K HN 0.396 nan 8.250 nan 0.000 0.470 255 V N 4.434 124.268 119.914 -0.132 0.000 2.417 255 V HA 0.407 4.526 4.120 -0.001 0.000 0.291 255 V C -0.646 175.310 176.094 -0.230 0.000 1.024 255 V CA -0.797 61.462 62.300 -0.068 0.000 0.861 255 V CB 0.565 32.313 31.823 -0.125 0.000 0.985 255 V HN 0.485 nan 8.190 nan 0.000 0.436 256 F N 4.729 124.654 119.950 -0.042 0.000 2.480 256 F HA 0.731 5.257 4.527 -0.001 0.000 0.329 256 F C -0.262 175.508 175.800 -0.050 0.000 1.091 256 F CA -0.921 57.045 58.000 -0.057 0.000 0.972 256 F CB 1.872 40.845 39.000 -0.045 0.000 1.150 256 F HN 0.285 nan 8.300 nan 0.000 0.467 257 L N 4.225 125.501 121.223 0.088 0.000 2.372 257 L HA 0.490 4.830 4.340 -0.001 0.000 0.273 257 L C -0.424 176.483 176.870 0.061 0.000 0.989 257 L CA -0.406 54.466 54.840 0.054 0.000 0.841 257 L CB 0.736 42.779 42.059 -0.027 0.000 1.225 257 L HN 0.604 nan 8.230 nan 0.000 0.414 258 N N 4.323 123.059 118.700 0.061 0.000 2.725 258 N HA -0.211 4.528 4.740 -0.001 0.000 0.251 258 N C 1.036 176.571 175.510 0.041 0.000 1.031 258 N CA 1.420 54.491 53.050 0.036 0.000 0.720 258 N CB -1.081 37.423 38.487 0.028 0.000 0.930 258 N HN 1.197 nan 8.380 nan 0.000 0.543 259 G N -1.431 107.407 108.800 0.063 0.000 2.234 259 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.260 259 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.260 259 G C -0.035 174.983 174.900 0.196 0.000 0.987 259 G CA 0.328 45.476 45.100 0.079 0.000 0.625 259 G HN 0.522 nan 8.290 nan 0.000 0.532 260 N N 0.945 119.734 118.700 0.149 0.000 2.426 260 N HA 0.337 5.076 4.740 -0.001 0.000 0.275 260 N C -0.091 175.390 175.510 -0.047 0.000 1.019 260 N CA -0.291 52.808 53.050 0.082 0.000 0.941 260 N CB 1.684 40.185 38.487 0.024 0.000 1.123 260 N HN 0.478 nan 8.380 nan 0.000 0.486 261 K N 3.086 123.345 120.400 -0.235 0.000 2.368 261 K HA 0.178 4.497 4.320 -0.001 0.000 0.282 261 K C -0.234 176.106 176.600 -0.434 0.000 1.035 261 K CA -0.364 55.462 56.287 -0.768 0.000 0.973 261 K CB 0.548 32.533 32.500 -0.859 0.000 0.957 261 K HN 0.448 nan 8.250 nan 0.000 0.474 262 L N 7.302 128.235 121.223 -0.482 0.000 2.360 262 L HA 0.181 4.520 4.340 -0.001 0.000 0.276 262 L C -1.493 175.233 176.870 -0.240 0.000 1.121 262 L CA -1.770 52.814 54.840 -0.426 0.000 0.845 262 L CB 0.685 42.304 42.059 -0.733 0.000 1.143 262 L HN 0.586 nan 8.230 nan 0.000 0.452 263 P HA 0.093 nan 4.420 nan 0.000 0.231 263 P C -0.662 176.668 177.300 0.048 0.000 1.756 263 P CA 0.120 63.218 63.100 -0.002 0.000 0.990 263 P CB 0.069 31.799 31.700 0.050 0.000 1.973 264 V N 0.871 120.788 119.914 0.006 0.000 2.588 264 V HA 0.668 4.787 4.120 -0.001 0.000 0.304 264 V C 0.308 176.408 176.094 0.011 0.000 1.042 264 V CA -0.584 61.748 62.300 0.053 0.000 0.877 264 V CB 1.977 33.859 31.823 0.099 0.000 0.996 264 V HN 0.261 nan 8.190 nan 0.000 0.425 265 K N 2.289 122.705 120.400 0.027 0.000 2.723 265 K HA 0.766 5.085 4.320 -0.001 0.000 0.229 265 K C 0.016 176.640 176.600 0.039 0.000 1.022 265 K CA 0.104 56.402 56.287 0.019 0.000 1.045 265 K CB 1.165 33.669 32.500 0.007 0.000 1.227 265 K HN 2.245 nan 8.250 nan 0.000 0.516 266 G N 0.419 109.255 108.800 0.060 0.000 2.675 266 G HA2 0.017 3.976 3.960 -0.001 0.000 0.686 266 G HA3 0.017 3.976 3.960 -0.001 0.000 0.686 266 G C 0.188 175.190 174.900 0.171 0.000 1.215 266 G CA -0.050 45.114 45.100 0.106 0.000 0.777 266 G HN 1.265 nan 8.290 nan 0.000 0.638 267 F N 1.819 121.809 119.950 0.066 0.000 2.161 267 F HA -0.040 4.487 4.527 -0.000 0.000 0.300 267 F C 2.677 178.567 175.800 0.151 0.000 1.089 267 F CA 2.374 60.447 58.000 0.122 0.000 1.282 267 F CB -0.071 39.009 39.000 0.133 0.000 1.010 267 F HN 0.611 nan 8.300 nan 0.000 0.485 268 R N 0.972 121.518 120.500 0.077 0.000 2.083 268 R HA -0.181 4.158 4.340 -0.001 0.000 0.237 268 R C 2.495 178.682 176.300 -0.188 0.000 1.137 268 R CA 2.221 58.233 56.100 -0.147 0.000 0.951 268 R CB -1.233 28.887 30.300 -0.300 0.000 0.851 268 R HN 0.407 nan 8.270 nan 0.000 0.434 269 S N -0.922 114.728 115.700 -0.083 0.000 2.399 269 S HA -0.192 4.278 4.470 -0.001 0.000 0.231 269 S C 2.055 176.633 174.600 -0.037 0.000 1.022 269 S CA 1.022 59.187 58.200 -0.059 0.000 0.983 269 S CB -0.778 62.421 63.200 -0.002 0.000 0.803 269 S HN 0.541 nan 8.310 nan 0.000 0.480 270 Y N 2.580 122.796 120.300 -0.140 0.000 2.163 270 Y HA 0.010 4.559 4.550 -0.001 0.000 0.288 270 Y C 2.276 178.091 175.900 -0.143 0.000 1.136 270 Y CA 1.294 59.340 58.100 -0.089 0.000 1.147 270 Y CB -0.681 37.745 38.460 -0.058 0.000 0.987 270 Y HN 0.118 nan 8.280 nan 0.000 0.509 271 V N 0.936 120.527 119.914 -0.539 0.000 2.392 271 V HA -0.310 3.810 4.120 -0.001 0.000 0.249 271 V C 1.916 177.653 176.094 -0.594 0.000 1.059 271 V CA 2.233 64.023 62.300 -0.850 0.000 1.051 271 V CB -0.745 30.383 31.823 -1.158 0.000 0.658 271 V HN 0.386 nan 8.190 nan 0.000 0.455 272 D N -0.225 119.930 120.400 -0.408 0.000 2.221 272 D HA -0.174 4.466 4.640 -0.001 0.000 0.204 272 D C 2.114 178.276 176.300 -0.230 0.000 0.982 272 D CA 1.264 55.090 54.000 -0.289 0.000 0.857 272 D CB -0.282 40.397 40.800 -0.203 0.000 0.934 272 D HN 0.406 nan 8.370 nan 0.000 0.475 273 M N -1.003 118.449 119.600 -0.248 0.000 2.279 273 M HA -0.149 4.331 4.480 -0.001 0.000 0.264 273 M C 1.506 177.627 176.300 -0.297 0.000 1.062 273 M CA 1.090 56.232 55.300 -0.262 0.000 1.099 273 M CB -0.203 32.198 32.600 -0.331 0.000 1.394 273 M HN 0.097 nan 8.290 nan 0.000 0.426 274 Y N 0.003 120.090 120.300 -0.355 0.000 2.314 274 Y HA 0.013 4.563 4.550 -0.000 0.000 0.294 274 Y C 2.007 177.803 175.900 -0.173 0.000 1.119 274 Y CA 0.866 58.786 58.100 -0.300 0.000 1.179 274 Y CB 0.096 38.282 38.460 -0.458 0.000 1.025 274 Y HN 0.109 nan 8.280 nan 0.000 0.541 275 L N -1.764 119.382 121.223 -0.129 0.000 2.362 275 L HA 0.080 4.419 4.340 -0.001 0.000 0.204 275 L C 1.918 178.743 176.870 -0.074 0.000 1.060 275 L CA 0.138 54.903 54.840 -0.126 0.000 0.827 275 L CB -0.422 41.468 42.059 -0.281 0.000 1.027 275 L HN -0.103 nan 8.230 nan 0.000 0.474 276 K N 1.056 121.390 120.400 -0.109 0.000 2.405 276 K HA -0.329 3.990 4.320 -0.001 0.000 0.220 276 K C 0.983 177.555 176.600 -0.047 0.000 0.714 276 K CA 2.630 58.869 56.287 -0.080 0.000 1.146 276 K CB -0.836 31.622 32.500 -0.070 0.000 0.945 276 K HN 0.326 nan 8.250 nan 0.000 0.655 277 D N -0.604 119.783 120.400 -0.021 0.000 2.431 277 D HA 0.096 4.735 4.640 -0.001 0.000 0.213 277 D C -0.298 176.014 176.300 0.019 0.000 1.130 277 D CA 0.506 54.503 54.000 -0.006 0.000 0.834 277 D CB 0.257 41.054 40.800 -0.006 0.000 0.985 277 D HN 0.431 nan 8.370 nan 0.000 0.504 278 K N 1.331 121.756 120.400 0.040 0.000 2.484 278 K HA 0.170 4.489 4.320 -0.001 0.000 0.280 278 K C 0.170 176.810 176.600 0.066 0.000 1.013 278 K CA 0.102 56.438 56.287 0.081 0.000 1.029 278 K CB 0.186 32.775 32.500 0.148 0.000 0.902 278 K HN -0.021 nan 8.250 nan 0.000 0.481 279 L N 1.846 123.109 121.223 0.066 0.000 2.334 279 L HA 0.448 4.787 4.340 -0.001 0.000 0.270 279 L C 0.438 177.349 176.870 0.069 0.000 1.018 279 L CA -0.841 54.031 54.840 0.054 0.000 0.811 279 L CB 1.457 43.539 42.059 0.038 0.000 1.271 279 L HN 0.993 nan 8.230 nan 0.000 0.443 280 D N -0.230 120.205 120.400 0.060 0.000 2.360 280 D HA 0.015 4.654 4.640 -0.001 0.000 0.242 280 D C 1.201 177.533 176.300 0.054 0.000 1.184 280 D CA -0.010 54.029 54.000 0.066 0.000 0.930 280 D CB 0.985 41.819 40.800 0.057 0.000 1.161 280 D HN 0.640 nan 8.370 nan 0.000 0.447 281 E N -0.227 120.005 120.200 0.054 0.000 2.333 281 E HA -0.200 4.149 4.350 -0.001 0.000 0.198 281 E C 1.310 177.930 176.600 0.034 0.000 1.007 281 E CA 1.349 57.774 56.400 0.042 0.000 0.845 281 E CB -0.508 29.215 29.700 0.039 0.000 0.766 281 E HN 0.586 nan 8.360 nan 0.000 0.507 282 T N -3.422 111.152 114.554 0.034 0.000 2.976 282 T HA 0.333 4.682 4.350 -0.001 0.000 0.257 282 T C 1.630 176.343 174.700 0.023 0.000 1.051 282 T CA 0.815 62.931 62.100 0.027 0.000 1.141 282 T CB 0.665 69.549 68.868 0.026 0.000 0.881 282 T HN 0.387 nan 8.240 nan 0.000 0.461 283 G N 0.967 109.783 108.800 0.026 0.000 3.211 283 G HA2 -0.093 3.866 3.960 -0.001 0.000 0.202 283 G HA3 -0.093 3.866 3.960 -0.001 0.000 0.202 283 G C -0.245 174.668 174.900 0.021 0.000 1.035 283 G CA -0.472 44.641 45.100 0.022 0.000 0.846 283 G HN 0.541 nan 8.290 nan 0.000 0.464 284 N N 2.092 120.805 118.700 0.021 0.000 2.492 284 N HA 0.457 5.197 4.740 -0.001 0.000 0.260 284 N C 0.657 176.180 175.510 0.021 0.000 1.215 284 N CA 0.719 53.779 53.050 0.017 0.000 0.923 284 N CB 1.144 39.641 38.487 0.015 0.000 1.092 284 N HN 0.602 nan 8.380 nan 0.000 0.448 285 S N 1.394 117.102 115.700 0.014 0.000 2.560 285 S HA 0.117 4.586 4.470 -0.001 0.000 0.284 285 S C 0.264 174.873 174.600 0.014 0.000 1.327 285 S CA -0.772 57.436 58.200 0.013 0.000 1.055 285 S CB 0.068 63.268 63.200 -0.000 0.000 0.868 285 S HN 0.379 nan 8.310 nan 0.000 0.506 286 L N 1.919 123.156 121.223 0.022 0.000 2.455 286 L HA 0.334 4.673 4.340 -0.001 0.000 0.272 286 L C 1.075 177.941 176.870 -0.008 0.000 1.174 286 L CA -0.139 54.716 54.840 0.026 0.000 0.869 286 L CB -0.288 41.800 42.059 0.048 0.000 1.130 286 L HN 0.920 nan 8.230 nan 0.000 0.474 287 K N 3.318 123.714 120.400 -0.007 0.000 2.276 287 K HA 0.719 5.038 4.320 -0.001 0.000 0.283 287 K C -0.315 176.257 176.600 -0.048 0.000 1.044 287 K CA -0.011 56.259 56.287 -0.029 0.000 0.944 287 K CB 0.883 33.367 32.500 -0.027 0.000 1.012 287 K HN 0.587 nan 8.250 nan 0.000 0.472 288 V N 2.313 122.185 119.914 -0.070 0.000 2.409 288 V HA 0.681 4.800 4.120 -0.001 0.000 0.291 288 V C -0.363 175.692 176.094 -0.066 0.000 1.020 288 V CA -1.107 61.141 62.300 -0.088 0.000 0.848 288 V CB 1.354 33.094 31.823 -0.138 0.000 0.990 288 V HN 0.736 nan 8.190 nan 0.000 0.430 289 I N 5.575 126.102 120.570 -0.071 0.000 2.359 289 I HA 0.552 4.721 4.170 -0.001 0.000 0.294 289 I C -0.271 175.929 176.117 0.138 0.000 0.987 289 I CA -0.368 60.865 61.300 -0.111 0.000 1.225 289 I CB 1.162 38.876 38.000 -0.477 0.000 1.366 289 I HN 0.849 nan 8.210 nan 0.000 0.466 290 H N 6.209 125.357 119.070 0.130 0.000 2.768 290 H HA 0.564 5.119 4.556 -0.001 0.000 0.371 290 H C -1.631 173.901 175.328 0.340 0.000 1.151 290 H CA -0.420 55.786 56.048 0.264 0.000 1.165 290 H CB 2.940 32.767 29.762 0.108 0.000 1.722 290 H HN 0.736 nan 8.280 nan 0.000 0.543 291 E N 3.384 123.272 120.200 -0.520 0.000 2.397 291 E HA 0.051 4.400 4.350 -0.001 0.000 0.293 291 E C -1.543 174.813 176.600 -0.406 0.000 0.930 291 E CA -0.515 55.704 56.400 -0.303 0.000 0.793 291 E CB 1.560 31.252 29.700 -0.013 0.000 1.259 291 E HN 0.715 nan 8.360 nan 0.000 0.406 292 Q N 4.228 123.924 119.800 -0.173 0.000 2.503 292 Q HA 0.257 4.596 4.340 -0.001 0.000 0.227 292 Q C 0.131 176.152 176.000 0.035 0.000 1.109 292 Q CA -0.413 55.385 55.803 -0.008 0.000 0.922 292 Q CB 1.108 29.930 28.738 0.140 0.000 1.249 292 Q HN 0.375 nan 8.270 nan 0.000 0.530 293 V N 2.638 122.560 119.914 0.014 0.000 2.282 293 V HA -0.295 3.825 4.120 -0.001 0.000 0.249 293 V C 0.659 176.807 176.094 0.090 0.000 1.057 293 V CA 2.287 64.601 62.300 0.022 0.000 1.032 293 V CB -1.317 30.494 31.823 -0.020 0.000 0.645 293 V HN 1.020 nan 8.190 nan 0.000 0.447 294 N N -2.262 116.533 118.700 0.158 0.000 3.364 294 N HA 0.108 4.847 4.740 -0.001 0.000 0.294 294 N C 0.575 176.225 175.510 0.234 0.000 1.562 294 N CA -0.103 53.077 53.050 0.216 0.000 0.862 294 N CB -0.005 38.645 38.487 0.271 0.000 1.691 294 N HN 0.163 nan 8.380 nan 0.000 0.572 295 H N -0.970 118.156 119.070 0.092 0.000 2.561 295 H HA 0.242 4.797 4.556 -0.002 0.000 0.278 295 H C 0.174 175.517 175.328 0.026 0.000 1.014 295 H CA 0.855 56.936 56.048 0.055 0.000 1.211 295 H CB 0.051 29.838 29.762 0.041 0.000 1.365 295 H HN 0.541 nan 8.280 nan 0.000 0.594 296 R N -1.228 119.111 120.500 -0.269 0.000 2.509 296 R HA 0.146 4.486 4.340 -0.001 0.000 0.297 296 R C -0.811 175.228 176.300 -0.436 0.000 0.951 296 R CA -0.109 55.759 56.100 -0.387 0.000 1.103 296 R CB 0.717 30.753 30.300 -0.440 0.000 1.283 296 R HN 0.123 nan 8.270 nan 0.000 0.534 297 W N 0.693 121.922 121.300 -0.117 0.000 2.957 297 W HA 0.411 5.070 4.660 -0.002 0.000 0.336 297 W C -0.662 175.802 176.519 -0.092 0.000 1.087 297 W CA -0.527 56.760 57.345 -0.096 0.000 1.235 297 W CB 1.636 31.065 29.460 -0.053 0.000 1.399 297 W HN -0.173 nan 8.180 nan 0.000 0.480 298 E N 2.056 122.302 120.200 0.076 0.000 2.263 298 E HA 0.676 5.025 4.350 -0.001 0.000 0.268 298 E C -1.698 174.970 176.600 0.114 0.000 0.884 298 E CA -0.602 55.828 56.400 0.050 0.000 0.766 298 E CB 2.203 31.939 29.700 0.060 0.000 1.196 298 E HN 0.246 nan 8.360 nan 0.000 0.416 299 V N 2.990 122.954 119.914 0.083 0.000 2.735 299 V HA 0.539 4.659 4.120 -0.001 0.000 0.310 299 V C -0.679 175.567 176.094 0.253 0.000 1.061 299 V CA -0.759 61.648 62.300 0.178 0.000 0.913 299 V CB 1.914 33.718 31.823 -0.031 0.000 1.005 299 V HN 0.834 nan 8.190 nan 0.000 0.428 300 C N 4.499 124.033 119.300 0.391 0.000 2.609 300 C HA 0.825 5.285 4.460 -0.001 0.000 0.313 300 C C -0.702 174.502 174.990 0.357 0.000 1.175 300 C CA -0.558 58.649 59.018 0.314 0.000 1.434 300 C CB 1.237 29.001 27.740 0.039 0.000 2.005 300 C HN 0.805 nan 8.230 nan 0.000 0.471 301 L N 3.045 124.435 121.223 0.278 0.000 2.422 301 L HA 0.899 5.239 4.340 -0.001 0.000 0.264 301 L C -0.232 176.696 176.870 0.098 0.000 0.984 301 L CA 0.488 55.475 54.840 0.244 0.000 0.819 301 L CB 2.211 44.454 42.059 0.306 0.000 1.330 301 L HN 0.779 nan 8.230 nan 0.000 0.410 302 T N 3.082 117.712 114.554 0.127 0.000 2.754 302 T HA 0.790 5.139 4.350 -0.001 0.000 0.296 302 T C -0.654 174.172 174.700 0.211 0.000 1.205 302 T CA 0.151 62.307 62.100 0.094 0.000 1.009 302 T CB 1.089 69.952 68.868 -0.008 0.000 1.368 302 T HN 0.947 nan 8.240 nan 0.000 0.509 303 M N 1.330 121.051 119.600 0.202 0.000 2.249 303 M HA 0.759 5.238 4.480 -0.001 0.000 0.351 303 M C 0.392 176.875 176.300 0.304 0.000 1.180 303 M CA -0.446 54.994 55.300 0.233 0.000 1.127 303 M CB 0.289 32.992 32.600 0.172 0.000 1.546 303 M HN 0.654 nan 8.290 nan 0.000 0.461 304 S N -0.034 115.814 115.700 0.247 0.000 2.501 304 S HA 0.576 5.045 4.470 -0.001 0.000 0.301 304 S C 0.363 174.992 174.600 0.048 0.000 1.096 304 S CA -0.351 57.934 58.200 0.140 0.000 1.063 304 S CB 0.797 64.022 63.200 0.042 0.000 1.042 304 S HN 0.817 nan 8.310 nan 0.000 0.494 305 E N 2.019 122.216 120.200 -0.004 0.000 2.498 305 E HA 0.129 4.478 4.350 -0.001 0.000 0.203 305 E C 0.032 176.585 176.600 -0.079 0.000 1.013 305 E CA -0.039 56.346 56.400 -0.024 0.000 0.927 305 E CB 0.370 30.076 29.700 0.010 0.000 1.012 305 E HN 0.687 nan 8.360 nan 0.000 0.482 306 K N 0.302 120.628 120.400 -0.125 0.000 2.972 306 K HA 0.457 4.776 4.320 -0.001 0.000 0.209 306 K C 0.304 176.827 176.600 -0.128 0.000 1.128 306 K CA -0.237 55.970 56.287 -0.133 0.000 1.024 306 K CB 0.947 33.343 32.500 -0.173 0.000 0.754 306 K HN 0.083 nan 8.250 nan 0.000 0.454 307 G N 1.477 110.211 108.800 -0.110 0.000 2.757 307 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.638 307 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.638 307 G C -0.762 174.136 174.900 -0.002 0.000 1.344 307 G CA -0.692 44.380 45.100 -0.047 0.000 0.855 307 G HN 0.317 nan 8.290 nan 0.000 0.537 308 F N 1.537 121.449 119.950 -0.064 0.000 2.608 308 F HA 0.460 4.986 4.527 -0.001 0.000 0.380 308 F C 0.905 176.643 175.800 -0.102 0.000 1.083 308 F CA 0.651 58.626 58.000 -0.042 0.000 1.266 308 F CB 0.406 39.406 39.000 -0.001 0.000 1.076 308 F HN 0.571 nan 8.300 nan 0.000 0.574 309 Q N 4.141 123.409 119.800 -0.885 0.000 2.397 309 Q HA 0.483 4.822 4.340 -0.001 0.000 0.275 309 Q C -1.482 173.926 176.000 -0.985 0.000 1.090 309 Q CA -1.178 54.093 55.803 -0.887 0.000 0.809 309 Q CB 2.626 30.735 28.738 -1.049 0.000 1.362 309 Q HN 0.651 nan 8.270 nan 0.000 0.431 310 Q N 0.785 120.175 119.800 -0.682 0.000 2.320 310 Q HA 0.574 4.914 4.340 -0.001 0.000 0.272 310 Q C -1.656 174.131 176.000 -0.355 0.000 1.023 310 Q CA -0.619 54.900 55.803 -0.473 0.000 0.855 310 Q CB 1.570 30.069 28.738 -0.398 0.000 1.367 310 Q HN 0.458 nan 8.270 nan 0.000 0.406 311 I N 2.392 122.710 120.570 -0.420 0.000 2.439 311 I HA 0.579 4.748 4.170 -0.001 0.000 0.283 311 I C -0.793 175.174 176.117 -0.250 0.000 1.023 311 I CA -0.378 60.684 61.300 -0.397 0.000 1.100 311 I CB 0.994 38.613 38.000 -0.635 0.000 1.238 311 I HN 0.773 nan 8.210 nan 0.000 0.445 312 S N 5.767 121.242 115.700 -0.374 0.000 2.599 312 S HA 0.847 5.316 4.470 -0.001 0.000 0.287 312 S C -0.997 173.205 174.600 -0.663 0.000 1.105 312 S CA -0.488 57.554 58.200 -0.262 0.000 0.899 312 S CB 2.429 65.618 63.200 -0.019 0.000 1.100 312 S HN 0.293 nan 8.310 nan 0.000 0.482 313 F N 0.372 120.408 119.950 0.144 0.000 2.581 313 F HA 0.588 5.114 4.527 -0.002 0.000 0.311 313 F C -0.699 175.025 175.800 -0.126 0.000 1.113 313 F CA -0.829 57.182 58.000 0.018 0.000 0.935 313 F CB 1.748 40.726 39.000 -0.036 0.000 1.232 313 F HN 0.217 nan 8.300 nan 0.000 0.445 314 V N 3.157 123.067 119.914 -0.006 0.000 2.482 314 V HA 0.325 4.445 4.120 -0.001 0.000 0.295 314 V C -0.642 175.399 176.094 -0.089 0.000 1.026 314 V CA -1.222 60.961 62.300 -0.195 0.000 0.856 314 V CB 1.486 33.121 31.823 -0.313 0.000 1.001 314 V HN 0.830 nan 8.190 nan 0.000 0.424 315 N N 3.270 121.879 118.700 -0.151 0.000 2.727 315 N HA -0.206 4.533 4.740 -0.001 0.000 0.249 315 N C 0.787 176.257 175.510 -0.067 0.000 1.048 315 N CA 1.201 54.184 53.050 -0.111 0.000 0.714 315 N CB -1.254 37.187 38.487 -0.077 0.000 0.959 315 N HN 0.879 nan 8.380 nan 0.000 0.544 316 S N -2.591 113.077 115.700 -0.053 0.000 3.127 316 S HA -0.242 4.227 4.470 -0.001 0.000 0.281 316 S C 0.362 175.001 174.600 0.065 0.000 1.293 316 S CA 1.047 59.227 58.200 -0.033 0.000 1.156 316 S CB -1.130 62.019 63.200 -0.084 0.000 1.389 316 S HN 0.579 nan 8.310 nan 0.000 0.672 317 I N 1.711 122.329 120.570 0.079 0.000 2.428 317 I HA 0.429 4.598 4.170 -0.001 0.000 0.289 317 I C 0.687 176.916 176.117 0.186 0.000 1.019 317 I CA -0.164 61.170 61.300 0.057 0.000 1.351 317 I CB 1.206 39.163 38.000 -0.073 0.000 1.412 317 I HN 0.290 nan 8.210 nan 0.000 0.513 318 A N 4.457 127.384 122.820 0.177 0.000 2.437 318 A HA 0.300 4.619 4.320 -0.001 0.000 0.303 318 A C 0.572 178.146 177.584 -0.018 0.000 1.324 318 A CA -0.423 51.675 52.037 0.102 0.000 0.983 318 A CB -0.613 18.508 19.000 0.202 0.000 1.142 318 A HN 0.758 nan 8.150 nan 0.000 0.541 319 T N 0.941 115.466 114.554 -0.049 0.000 3.688 319 T HA 0.231 4.580 4.350 -0.001 0.000 0.307 319 T C 1.256 175.974 174.700 0.030 0.000 1.382 319 T CA 0.050 62.188 62.100 0.064 0.000 1.136 319 T CB -0.191 68.813 68.868 0.227 0.000 1.207 319 T HN 0.870 nan 8.240 nan 0.000 0.854 320 S N 2.194 117.911 115.700 0.029 0.000 2.440 320 S HA -0.135 4.334 4.470 -0.001 0.000 0.238 320 S C 1.547 176.185 174.600 0.063 0.000 1.010 320 S CA 0.469 58.698 58.200 0.049 0.000 0.972 320 S CB -0.319 62.942 63.200 0.102 0.000 0.774 320 S HN 0.699 nan 8.310 nan 0.000 0.501 321 K N 0.989 121.440 120.400 0.086 0.000 2.367 321 K HA 0.365 4.684 4.320 -0.001 0.000 0.194 321 K C 1.291 177.953 176.600 0.105 0.000 1.027 321 K CA 0.325 56.668 56.287 0.094 0.000 1.075 321 K CB 0.407 32.968 32.500 0.102 0.000 0.845 321 K HN 0.519 nan 8.250 nan 0.000 0.529 322 G N 0.687 109.555 108.800 0.113 0.000 2.503 322 G HA2 0.008 3.967 3.960 -0.001 0.000 0.235 322 G HA3 0.008 3.967 3.960 -0.001 0.000 0.235 322 G C 0.093 175.129 174.900 0.226 0.000 1.179 322 G CA -0.590 44.569 45.100 0.098 0.000 0.944 322 G HN 0.609 nan 8.290 nan 0.000 0.580 323 G N -2.414 106.473 108.800 0.146 0.000 2.346 323 G HA2 0.495 4.454 3.960 -0.001 0.000 0.294 323 G HA3 0.495 4.454 3.960 -0.001 0.000 0.294 323 G C 0.200 175.245 174.900 0.242 0.000 1.294 323 G CA 0.420 45.673 45.100 0.254 0.000 0.962 323 G HN 1.273 nan 8.290 nan 0.000 0.508 324 R N 0.082 120.787 120.500 0.341 0.000 2.159 324 R HA -0.015 4.324 4.340 -0.001 0.000 0.237 324 R C 2.376 179.022 176.300 0.576 0.000 1.131 324 R CA 2.345 58.674 56.100 0.381 0.000 0.982 324 R CB -0.733 29.783 30.300 0.359 0.000 0.868 324 R HN 0.769 nan 8.270 nan 0.000 0.453 325 H N -1.320 117.971 119.070 0.367 0.000 2.389 325 H HA 0.036 4.592 4.556 -0.002 0.000 0.299 325 H C 1.723 177.318 175.328 0.444 0.000 1.081 325 H CA 1.322 57.609 56.048 0.399 0.000 1.345 325 H CB -0.837 28.944 29.762 0.031 0.000 1.393 325 H HN 0.013 nan 8.280 nan 0.000 0.520 326 V N 2.206 121.978 119.914 -0.236 0.000 2.323 326 V HA -0.199 3.920 4.120 -0.001 0.000 0.244 326 V C 2.133 178.302 176.094 0.125 0.000 1.041 326 V CA 1.969 64.225 62.300 -0.073 0.000 1.025 326 V CB -0.341 31.398 31.823 -0.139 0.000 0.656 326 V HN 0.309 nan 8.190 nan 0.000 0.451 327 D N -0.573 119.906 120.400 0.132 0.000 2.104 327 D HA -0.236 4.403 4.640 -0.001 0.000 0.194 327 D C 1.960 178.361 176.300 0.168 0.000 0.994 327 D CA 1.753 55.822 54.000 0.116 0.000 0.830 327 D CB -0.481 40.386 40.800 0.111 0.000 0.959 327 D HN 0.533 nan 8.370 nan 0.000 0.452 328 Y N 1.848 122.221 120.300 0.122 0.000 2.114 328 Y HA -0.264 4.286 4.550 -0.001 0.000 0.282 328 Y C 2.217 178.132 175.900 0.026 0.000 1.165 328 Y CA 1.205 59.361 58.100 0.095 0.000 1.148 328 Y CB -0.491 38.117 38.460 0.247 0.000 0.972 328 Y HN -0.177 nan 8.280 nan 0.000 0.504 329 V N 0.120 120.034 119.914 0.001 0.000 2.302 329 V HA -0.210 3.909 4.120 -0.001 0.000 0.243 329 V C 2.710 178.775 176.094 -0.048 0.000 1.036 329 V CA 1.684 63.902 62.300 -0.136 0.000 1.020 329 V CB -1.564 30.280 31.823 0.035 0.000 0.657 329 V HN 0.521 nan 8.190 nan 0.000 0.453 330 A N 0.193 123.048 122.820 0.058 0.000 1.892 330 A HA -0.297 4.023 4.320 -0.001 0.000 0.218 330 A C 1.934 179.519 177.584 0.001 0.000 1.188 330 A CA 2.321 54.401 52.037 0.073 0.000 0.631 330 A CB -0.760 18.287 19.000 0.077 0.000 0.822 330 A HN 0.560 nan 8.150 nan 0.000 0.447 331 D N -0.305 120.079 120.400 -0.027 0.000 2.144 331 D HA -0.175 4.464 4.640 -0.001 0.000 0.199 331 D C 2.286 178.559 176.300 -0.046 0.000 0.984 331 D CA 1.666 55.644 54.000 -0.037 0.000 0.834 331 D CB -0.490 40.299 40.800 -0.019 0.000 0.955 331 D HN 0.875 nan 8.370 nan 0.000 0.465 332 Q N 0.026 119.773 119.800 -0.088 0.000 2.291 332 Q HA -0.035 4.304 4.340 -0.001 0.000 0.205 332 Q C 2.061 178.038 176.000 -0.038 0.000 0.970 332 Q CA 0.751 56.497 55.803 -0.095 0.000 0.876 332 Q CB -0.169 28.454 28.738 -0.192 0.000 0.935 332 Q HN 0.296 nan 8.270 nan 0.000 0.455 333 I N 0.500 121.069 120.570 -0.001 0.000 2.235 333 I HA -0.189 3.980 4.170 -0.001 0.000 0.241 333 I C 2.226 178.367 176.117 0.040 0.000 1.085 333 I CA 0.515 61.854 61.300 0.065 0.000 1.378 333 I CB -0.174 37.909 38.000 0.138 0.000 1.076 333 I HN 0.052 nan 8.210 nan 0.000 0.415 334 V N 0.994 120.921 119.914 0.021 0.000 2.252 334 V HA -0.352 3.767 4.120 -0.001 0.000 0.249 334 V C 2.545 178.637 176.094 -0.004 0.000 1.056 334 V CA 2.692 64.994 62.300 0.004 0.000 1.022 334 V CB -1.027 30.784 31.823 -0.019 0.000 0.641 334 V HN 0.494 nan 8.190 nan 0.000 0.445 335 T N -0.253 114.294 114.554 -0.010 0.000 2.580 335 T HA -0.247 4.103 4.350 -0.001 0.000 0.265 335 T C 1.993 176.689 174.700 -0.007 0.000 1.063 335 T CA 1.648 63.741 62.100 -0.012 0.000 1.170 335 T CB -0.330 68.527 68.868 -0.018 0.000 0.863 335 T HN 0.314 nan 8.240 nan 0.000 0.418 336 K N 1.173 121.572 120.400 -0.002 0.000 2.034 336 K HA -0.083 4.237 4.320 -0.001 0.000 0.214 336 K C 2.336 178.937 176.600 0.002 0.000 1.051 336 K CA 1.327 57.617 56.287 0.004 0.000 0.931 336 K CB -1.108 31.403 32.500 0.019 0.000 0.715 336 K HN 0.383 nan 8.250 nan 0.000 0.446 337 L N 0.763 121.989 121.223 0.005 0.000 2.079 337 L HA -0.180 4.159 4.340 -0.001 0.000 0.210 337 L C 2.504 179.365 176.870 -0.014 0.000 1.081 337 L CA 0.894 55.731 54.840 -0.005 0.000 0.752 337 L CB -0.617 41.441 42.059 -0.002 0.000 0.896 337 L HN -0.072 nan 8.230 nan 0.000 0.433 338 V N -0.213 119.693 119.914 -0.014 0.000 2.427 338 V HA -0.264 3.855 4.120 -0.001 0.000 0.248 338 V C 1.586 177.671 176.094 -0.014 0.000 1.051 338 V CA 1.881 64.170 62.300 -0.018 0.000 1.048 338 V CB -0.575 31.238 31.823 -0.016 0.000 0.666 338 V HN 0.406 nan 8.190 nan 0.000 0.456 339 D N -0.424 119.970 120.400 -0.011 0.000 2.392 339 D HA -0.064 4.575 4.640 -0.001 0.000 0.228 339 D C 1.607 177.901 176.300 -0.010 0.000 1.003 339 D CA 0.531 54.526 54.000 -0.009 0.000 0.917 339 D CB 0.140 40.935 40.800 -0.007 0.000 0.890 339 D HN 0.338 nan 8.370 nan 0.000 0.532 340 V N -0.589 119.318 119.914 -0.012 0.000 3.263 340 V HA -0.016 4.103 4.120 -0.001 0.000 0.248 340 V C 2.016 178.100 176.094 -0.017 0.000 1.145 340 V CA 0.378 62.670 62.300 -0.013 0.000 1.107 340 V CB 0.611 32.425 31.823 -0.014 0.000 0.797 340 V HN 0.067 nan 8.190 nan 0.000 0.467 341 V N 1.600 121.502 119.914 -0.020 0.000 2.788 341 V HA -0.132 3.987 4.120 -0.001 0.000 0.251 341 V C 2.465 178.549 176.094 -0.017 0.000 1.068 341 V CA 1.647 63.933 62.300 -0.022 0.000 1.090 341 V CB -0.669 31.137 31.823 -0.029 0.000 0.710 341 V HN 0.721 nan 8.190 nan 0.000 0.467 342 K N 1.468 121.859 120.400 -0.014 0.000 2.209 342 K HA -0.166 4.153 4.320 -0.001 0.000 0.204 342 K C 2.093 178.687 176.600 -0.010 0.000 1.048 342 K CA 1.831 58.111 56.287 -0.011 0.000 0.940 342 K CB -0.391 32.104 32.500 -0.009 0.000 0.729 342 K HN 0.418 nan 8.250 nan 0.000 0.451 343 K N 2.091 122.485 120.400 -0.010 0.000 2.005 343 K HA -0.009 4.311 4.320 -0.001 0.000 0.206 343 K C 1.768 178.362 176.600 -0.010 0.000 1.044 343 K CA 1.437 57.718 56.287 -0.009 0.000 0.942 343 K CB -0.522 31.973 32.500 -0.009 0.000 0.727 343 K HN 0.116 nan 8.250 nan 0.000 0.439 344 K N 1.155 121.547 120.400 -0.012 0.000 2.665 344 K HA 0.102 4.421 4.320 -0.001 0.000 0.196 344 K C 0.114 176.706 176.600 -0.012 0.000 1.021 344 K CA 0.140 56.420 56.287 -0.012 0.000 1.066 344 K CB -0.732 31.759 32.500 -0.015 0.000 0.849 344 K HN 0.545 nan 8.250 nan 0.000 0.500 351 V N 2.416 122.320 119.914 -0.017 0.000 2.583 351 V HA 0.273 4.393 4.120 -0.001 0.000 0.287 351 V C 0.278 176.354 176.094 -0.031 0.000 1.051 351 V CA -0.327 61.953 62.300 -0.033 0.000 1.010 351 V CB 1.155 32.950 31.823 -0.045 0.000 0.988 351 V HN 0.370 nan 8.190 nan 0.000 0.478 352 K N 2.868 123.237 120.400 -0.052 0.000 2.118 352 K HA 0.490 4.809 4.320 -0.001 0.000 0.264 352 K C 1.186 177.747 176.600 -0.065 0.000 1.000 352 K CA 0.128 56.403 56.287 -0.019 0.000 0.929 352 K CB 1.294 33.828 32.500 0.057 0.000 1.021 352 K HN 0.681 nan 8.250 nan 0.000 0.463 353 A N 2.217 125.046 122.820 0.016 0.000 1.865 353 A HA -0.225 4.095 4.320 -0.001 0.000 0.217 353 A C 1.904 179.476 177.584 -0.019 0.000 1.191 353 A CA 1.953 53.990 52.037 -0.000 0.000 0.623 353 A CB -1.006 18.006 19.000 0.021 0.000 0.826 353 A HN 0.913 nan 8.150 nan 0.000 0.444 354 H N -0.455 118.602 119.070 -0.021 0.000 2.422 354 H HA -0.148 4.407 4.556 -0.001 0.000 0.298 354 H C 1.717 177.061 175.328 0.026 0.000 1.098 354 H CA 1.662 57.699 56.048 -0.020 0.000 1.315 354 H CB -0.644 29.109 29.762 -0.014 0.000 1.382 354 H HN 0.655 nan 8.280 nan 0.000 0.523 355 Q N 0.575 119.977 119.800 -0.664 0.000 2.084 355 Q HA -0.065 4.275 4.340 -0.001 0.000 0.202 355 Q C 2.769 178.766 176.000 -0.004 0.000 0.978 355 Q CA 1.704 57.289 55.803 -0.363 0.000 0.844 355 Q CB 0.176 28.710 28.738 -0.340 0.000 0.898 355 Q HN 0.337 nan 8.270 nan 0.000 0.426 356 V N 0.882 120.781 119.914 -0.025 0.000 2.379 356 V HA -0.202 3.917 4.120 -0.001 0.000 0.245 356 V C 2.061 178.235 176.094 0.134 0.000 1.044 356 V CA 1.503 63.832 62.300 0.049 0.000 1.036 356 V CB -0.375 31.445 31.823 -0.005 0.000 0.664 356 V HN 0.247 nan 8.190 nan 0.000 0.453 357 K N 0.249 120.684 120.400 0.059 0.000 2.147 357 K HA -0.151 4.169 4.320 -0.001 0.000 0.205 357 K C 1.948 178.671 176.600 0.205 0.000 1.049 357 K CA 1.145 57.462 56.287 0.049 0.000 0.936 357 K CB -0.204 32.182 32.500 -0.190 0.000 0.722 357 K HN 0.429 nan 8.250 nan 0.000 0.446 358 N N 0.498 119.291 118.700 0.155 0.000 2.443 358 N HA -0.127 4.612 4.740 -0.001 0.000 0.184 358 N C 0.581 176.062 175.510 -0.049 0.000 1.037 358 N CA 1.147 54.235 53.050 0.064 0.000 0.896 358 N CB -0.036 38.419 38.487 -0.053 0.000 0.959 358 N HN 0.371 nan 8.380 nan 0.000 0.442 359 H N -1.154 117.986 119.070 0.117 0.000 2.520 359 H HA 0.335 4.890 4.556 -0.002 0.000 0.284 359 H C 0.061 175.489 175.328 0.166 0.000 1.037 359 H CA -0.050 56.065 56.048 0.112 0.000 1.168 359 H CB 0.235 30.042 29.762 0.075 0.000 1.497 359 H HN 0.029 nan 8.280 nan 0.000 0.547 360 M N 0.435 120.235 119.600 0.333 0.000 2.336 360 M HA 0.199 4.678 4.480 -0.001 0.000 0.342 360 M C -1.179 175.317 176.300 0.328 0.000 1.128 360 M CA -0.644 54.879 55.300 0.372 0.000 1.016 360 M CB 2.055 34.929 32.600 0.457 0.000 1.665 360 M HN 0.237 nan 8.290 nan 0.000 0.445 361 W N 6.320 127.658 121.300 0.064 0.000 2.463 361 W HA 0.613 5.272 4.660 -0.002 0.000 0.316 361 W C -2.321 174.191 176.519 -0.012 0.000 1.004 361 W CA -1.266 56.022 57.345 -0.096 0.000 1.309 361 W CB 0.633 30.076 29.460 -0.028 0.000 1.288 361 W HN 0.591 nan 8.180 nan 0.000 0.423 362 I N 5.837 126.544 120.570 0.228 0.000 2.562 362 I HA 0.530 4.700 4.170 -0.001 0.000 0.301 362 I C -1.357 174.771 176.117 0.018 0.000 1.003 362 I CA -0.830 60.596 61.300 0.211 0.000 1.127 362 I CB 1.438 39.608 38.000 0.283 0.000 1.304 362 I HN 0.085 nan 8.210 nan 0.000 0.446 363 F N 5.814 125.837 119.950 0.122 0.000 2.495 363 F HA 0.638 5.165 4.527 -0.001 0.000 0.327 363 F C -0.480 175.537 175.800 0.362 0.000 1.103 363 F CA -0.694 57.436 58.000 0.217 0.000 0.949 363 F CB 1.964 41.051 39.000 0.144 0.000 1.142 363 F HN -0.046 nan 8.300 nan 0.000 0.457 364 V N 2.537 122.748 119.914 0.496 0.000 2.733 364 V HA 0.416 4.535 4.120 -0.001 0.000 0.306 364 V C -1.240 174.900 176.094 0.078 0.000 1.084 364 V CA -0.878 61.596 62.300 0.289 0.000 0.905 364 V CB 2.151 34.119 31.823 0.242 0.000 1.010 364 V HN 0.685 nan 8.190 nan 0.000 0.424 365 N N 2.965 121.469 118.700 -0.326 0.000 2.442 365 N HA 0.799 5.538 4.740 -0.001 0.000 0.274 365 N C -0.726 174.510 175.510 -0.456 0.000 1.002 365 N CA 0.024 52.756 53.050 -0.529 0.000 0.910 365 N CB 1.877 39.579 38.487 -1.308 0.000 1.244 365 N HN 1.017 nan 8.380 nan 0.000 0.492 366 A N 2.941 125.464 122.820 -0.494 0.000 2.469 366 A HA 0.726 5.045 4.320 -0.001 0.000 0.299 366 A C -1.410 175.749 177.584 -0.708 0.000 1.098 366 A CA -0.632 50.865 52.037 -0.900 0.000 0.737 366 A CB 1.135 19.188 19.000 -1.577 0.000 1.312 366 A HN 0.581 nan 8.150 nan 0.000 0.414 367 L N 2.479 123.239 121.223 -0.771 0.000 2.298 367 L HA 0.484 4.823 4.340 -0.001 0.000 0.284 367 L C -1.061 175.519 176.870 -0.484 0.000 1.013 367 L CA -0.531 54.017 54.840 -0.487 0.000 0.824 367 L CB 1.282 43.120 42.059 -0.368 0.000 1.221 367 L HN 0.487 nan 8.230 nan 0.000 0.418 368 I N 2.637 122.982 120.570 -0.375 0.000 2.474 368 I HA 0.311 4.480 4.170 -0.001 0.000 0.294 368 I C 0.183 176.219 176.117 -0.135 0.000 1.005 368 I CA -0.608 60.518 61.300 -0.290 0.000 1.113 368 I CB 2.015 39.778 38.000 -0.396 0.000 1.289 368 I HN 0.594 nan 8.210 nan 0.000 0.436 369 E N 5.538 125.710 120.200 -0.047 0.000 2.290 369 E HA 0.137 4.486 4.350 -0.001 0.000 0.277 369 E C -0.308 176.289 176.600 -0.005 0.000 1.035 369 E CA -0.218 56.175 56.400 -0.012 0.000 0.873 369 E CB 0.317 30.031 29.700 0.024 0.000 1.029 369 E HN 0.353 nan 8.360 nan 0.000 0.419 370 N N 2.428 121.123 118.700 -0.007 0.000 2.686 370 N HA -0.126 4.613 4.740 -0.001 0.000 0.261 370 N C -2.474 173.018 175.510 -0.029 0.000 1.001 370 N CA 0.425 53.475 53.050 0.001 0.000 0.764 370 N CB -1.176 37.318 38.487 0.012 0.000 0.898 370 N HN 0.413 nan 8.380 nan 0.000 0.544 371 P HA 0.103 nan 4.420 nan 0.000 0.272 371 P C 0.105 177.215 177.300 -0.316 0.000 1.223 371 P CA 0.145 63.100 63.100 -0.242 0.000 0.784 371 P CB 0.831 32.334 31.700 -0.328 0.000 0.923 372 T N -0.750 113.505 114.554 -0.499 0.000 2.912 372 T HA 0.769 5.118 4.350 -0.001 0.000 0.288 372 T C -0.627 173.654 174.700 -0.698 0.000 1.030 372 T CA -0.528 61.362 62.100 -0.349 0.000 1.020 372 T CB 0.874 69.662 68.868 -0.134 0.000 1.056 372 T HN 0.231 nan 8.240 nan 0.000 0.480 373 F N -0.349 119.612 119.950 0.018 0.000 2.650 373 F HA 0.437 4.963 4.527 -0.001 0.000 0.320 373 F C 0.922 176.731 175.800 0.015 0.000 1.091 373 F CA -1.278 56.732 58.000 0.017 0.000 0.962 373 F CB 1.446 40.448 39.000 0.005 0.000 1.363 373 F HN 0.472 nan 8.300 nan 0.000 0.482 374 D N -0.021 120.506 120.400 0.212 0.000 2.224 374 D HA -0.010 4.629 4.640 -0.001 0.000 0.205 374 D C 0.572 176.921 176.300 0.082 0.000 0.965 374 D CA 1.312 55.379 54.000 0.112 0.000 0.852 374 D CB 0.231 41.084 40.800 0.088 0.000 0.947 374 D HN 0.424 nan 8.370 nan 0.000 0.494 375 S N -1.428 114.330 115.700 0.096 0.000 2.672 375 S HA 0.222 4.691 4.470 -0.001 0.000 0.271 375 S C 0.466 175.059 174.600 -0.011 0.000 1.171 375 S CA -0.698 57.510 58.200 0.014 0.000 0.817 375 S CB 2.199 65.383 63.200 -0.027 0.000 1.150 375 S HN -0.192 nan 8.310 nan 0.000 0.478 376 Q N 1.149 120.906 119.800 -0.072 0.000 2.234 376 Q HA -0.059 4.280 4.340 -0.001 0.000 0.206 376 Q C 1.826 177.751 176.000 -0.124 0.000 0.980 376 Q CA 2.846 58.596 55.803 -0.088 0.000 0.869 376 Q CB -1.116 27.549 28.738 -0.121 0.000 0.912 376 Q HN 0.960 nan 8.270 nan 0.000 0.436 377 T N -2.163 112.326 114.554 -0.109 0.000 3.007 377 T HA -0.053 4.296 4.350 -0.001 0.000 0.270 377 T C 0.315 174.897 174.700 -0.197 0.000 1.107 377 T CA 0.630 62.658 62.100 -0.121 0.000 1.118 377 T CB -0.320 68.508 68.868 -0.067 0.000 0.889 377 T HN 0.450 nan 8.240 nan 0.000 0.506 378 K N 1.158 121.400 120.400 -0.262 0.000 3.148 378 K HA -0.210 4.109 4.320 -0.001 0.000 0.267 378 K C 0.457 176.929 176.600 -0.213 0.000 0.996 378 K CA 0.914 56.875 56.287 -0.544 0.000 0.737 378 K CB -1.373 30.374 32.500 -1.256 0.000 1.308 378 K HN 0.646 nan 8.250 nan 0.000 0.470 379 E N 0.200 120.397 120.200 -0.004 0.000 2.318 379 E HA -0.045 4.305 4.350 -0.001 0.000 0.193 379 E C 0.265 176.965 176.600 0.167 0.000 0.998 379 E CA 0.266 56.705 56.400 0.065 0.000 0.859 379 E CB 0.091 29.826 29.700 0.059 0.000 0.812 379 E HN 0.298 nan 8.360 nan 0.000 0.492 380 N N 0.802 119.651 118.700 0.248 0.000 2.448 380 N HA 0.092 4.831 4.740 -0.001 0.000 0.279 380 N C -1.218 174.492 175.510 0.334 0.000 1.025 380 N CA -0.291 52.916 53.050 0.262 0.000 0.898 380 N CB 0.954 39.544 38.487 0.172 0.000 1.303 380 N HN -0.139 nan 8.380 nan 0.000 0.495 381 M N 3.370 123.134 119.600 0.273 0.000 2.105 381 M HA 0.198 4.678 4.480 -0.001 0.000 0.350 381 M C 0.527 176.820 176.300 -0.012 0.000 1.308 381 M CA 0.112 55.365 55.300 -0.080 0.000 1.108 381 M CB 0.398 32.876 32.600 -0.203 0.000 1.622 381 M HN 0.739 nan 8.290 nan 0.000 0.468 382 T N 2.510 116.995 114.554 -0.115 0.000 3.069 382 T HA 0.167 4.516 4.350 -0.001 0.000 0.252 382 T C 0.514 175.206 174.700 -0.013 0.000 1.053 382 T CA -0.391 61.697 62.100 -0.019 0.000 0.964 382 T CB -0.028 68.831 68.868 -0.015 0.000 1.005 382 T HN 0.502 nan 8.240 nan 0.000 0.532 383 L N 3.248 124.453 121.223 -0.030 0.000 2.455 383 L HA 0.246 4.585 4.340 -0.001 0.000 0.272 383 L C 0.260 177.169 176.870 0.066 0.000 1.174 383 L CA 0.013 54.869 54.840 0.027 0.000 0.869 383 L CB 0.354 42.443 42.059 0.050 0.000 1.130 383 L HN 0.217 nan 8.230 nan 0.000 0.474 384 Q N 6.298 126.046 119.800 -0.087 0.000 2.364 384 Q HA 0.056 4.395 4.340 -0.001 0.000 0.267 384 Q C -1.644 173.943 176.000 -0.689 0.000 0.999 384 Q CA -1.290 54.362 55.803 -0.250 0.000 0.886 384 Q CB 0.422 29.047 28.738 -0.189 0.000 1.243 384 Q HN 0.526 nan 8.270 nan 0.000 0.415 385 P HA -0.251 nan 4.420 nan 0.000 0.216 385 P C 1.035 177.668 177.300 -1.111 0.000 1.153 385 P CA 1.849 63.783 63.100 -1.943 0.000 0.858 385 P CB 0.101 31.083 31.700 -1.197 0.000 0.789 386 K N -1.036 119.022 120.400 -0.570 0.000 2.281 386 K HA -0.048 4.272 4.320 -0.001 0.000 0.203 386 K C 1.218 177.684 176.600 -0.224 0.000 1.046 386 K CA 1.715 57.816 56.287 -0.310 0.000 0.938 386 K CB -0.685 31.698 32.500 -0.196 0.000 0.737 386 K HN 0.001 nan 8.250 nan 0.000 0.458 387 S N 0.010 115.560 115.700 -0.250 0.000 2.554 387 S HA 0.189 4.658 4.470 -0.001 0.000 0.226 387 S C 0.700 175.343 174.600 0.072 0.000 0.980 387 S CA -0.623 57.530 58.200 -0.079 0.000 0.939 387 S CB -0.073 63.093 63.200 -0.056 0.000 0.832 387 S HN 0.166 nan 8.310 nan 0.000 0.486 388 F N 2.159 122.077 119.950 -0.053 0.000 2.161 388 F HA 0.043 4.570 4.527 -0.001 0.000 0.300 388 F C 2.325 178.138 175.800 0.022 0.000 1.089 388 F CA 0.960 58.958 58.000 -0.004 0.000 1.282 388 F CB -1.149 37.889 39.000 0.063 0.000 1.010 388 F HN 0.405 nan 8.300 nan 0.000 0.485 389 G N -0.565 108.364 108.800 0.214 0.000 2.176 389 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.232 389 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.232 389 G C 0.205 175.207 174.900 0.170 0.000 0.986 389 G CA 0.412 45.596 45.100 0.140 0.000 0.643 389 G HN 0.848 nan 8.290 nan 0.000 0.522 390 S N -1.632 114.217 115.700 0.248 0.000 2.615 390 S HA 0.840 5.310 4.470 -0.001 0.000 0.268 390 S C -0.594 174.156 174.600 0.250 0.000 1.146 390 S CA 0.600 58.958 58.200 0.263 0.000 0.818 390 S CB 1.970 65.378 63.200 0.347 0.000 1.111 390 S HN 1.794 nan 8.310 nan 0.000 0.465 391 T N -2.363 112.268 114.554 0.128 0.000 2.926 391 T HA 0.751 5.100 4.350 -0.001 0.000 0.289 391 T C -0.554 173.989 174.700 -0.262 0.000 1.054 391 T CA -0.804 61.312 62.100 0.025 0.000 1.015 391 T CB 1.506 70.407 68.868 0.054 0.000 1.167 391 T HN 1.451 nan 8.240 nan 0.000 0.526 392 C N 2.318 121.426 119.300 -0.320 0.000 3.498 392 C HA 0.472 4.931 4.460 -0.001 0.000 0.218 392 C C -0.164 174.550 174.990 -0.459 0.000 1.284 392 C CA -0.426 58.227 59.018 -0.607 0.000 1.343 392 C CB -1.112 25.891 27.740 -1.227 0.000 1.825 392 C HN 1.009 nan 8.230 nan 0.000 0.518 393 Q N 3.499 123.139 119.800 -0.266 0.000 2.361 393 Q HA 0.465 4.804 4.340 -0.001 0.000 0.250 393 Q C -0.453 175.424 176.000 -0.204 0.000 1.023 393 Q CA -0.254 55.414 55.803 -0.225 0.000 0.915 393 Q CB 0.604 29.268 28.738 -0.123 0.000 1.238 393 Q HN 0.779 nan 8.270 nan 0.000 0.451 394 L N 3.001 124.070 121.223 -0.257 0.000 2.514 394 L HA 0.025 4.364 4.340 -0.001 0.000 0.280 394 L C 0.809 177.625 176.870 -0.089 0.000 1.223 394 L CA -0.078 54.606 54.840 -0.260 0.000 0.864 394 L CB 0.423 42.273 42.059 -0.349 0.000 1.118 394 L HN 0.734 nan 8.230 nan 0.000 0.494 395 S N 1.443 117.129 115.700 -0.024 0.000 2.589 395 S HA 0.071 4.540 4.470 -0.001 0.000 0.265 395 S C 0.893 175.551 174.600 0.096 0.000 1.342 395 S CA -0.680 57.547 58.200 0.046 0.000 1.005 395 S CB 1.173 64.415 63.200 0.071 0.000 0.909 395 S HN 0.614 nan 8.310 nan 0.000 0.555 396 E N 0.928 121.167 120.200 0.066 0.000 2.106 396 E HA -0.137 4.212 4.350 -0.001 0.000 0.192 396 E C 1.899 178.545 176.600 0.076 0.000 0.984 396 E CA 1.102 57.538 56.400 0.061 0.000 0.806 396 E CB -0.327 29.395 29.700 0.036 0.000 0.750 396 E HN 0.824 nan 8.360 nan 0.000 0.458 397 K N -0.035 120.415 120.400 0.085 0.000 2.032 397 K HA -0.180 4.139 4.320 -0.001 0.000 0.209 397 K C 2.184 178.840 176.600 0.093 0.000 1.048 397 K CA 1.244 57.578 56.287 0.077 0.000 0.927 397 K CB -0.345 32.205 32.500 0.083 0.000 0.712 397 K HN 0.030 nan 8.250 nan 0.000 0.441 398 F N 1.713 121.667 119.950 0.006 0.000 2.051 398 F HA -0.245 4.281 4.527 -0.001 0.000 0.296 398 F C 1.974 177.776 175.800 0.005 0.000 1.122 398 F CA 1.392 59.397 58.000 0.007 0.000 1.201 398 F CB -0.138 38.859 39.000 -0.004 0.000 0.978 398 F HN -0.015 nan 8.300 nan 0.000 0.472 399 I N 1.425 122.153 120.570 0.262 0.000 2.163 399 I HA -0.333 3.836 4.170 -0.001 0.000 0.243 399 I C 2.756 178.880 176.117 0.012 0.000 1.085 399 I CA 2.068 63.453 61.300 0.142 0.000 1.347 399 I CB -2.094 35.978 38.000 0.121 0.000 1.044 399 I HN 0.267 nan 8.210 nan 0.000 0.408 400 K N 1.111 121.517 120.400 0.010 0.000 2.074 400 K HA -0.106 4.213 4.320 -0.001 0.000 0.209 400 K C 2.316 178.883 176.600 -0.055 0.000 1.048 400 K CA 1.839 58.117 56.287 -0.015 0.000 0.926 400 K CB -1.309 31.189 32.500 -0.002 0.000 0.713 400 K HN 0.496 nan 8.250 nan 0.000 0.444 401 A N 0.700 123.459 122.820 -0.102 0.000 1.969 401 A HA 0.337 4.656 4.320 -0.001 0.000 0.218 401 A C 2.765 180.238 177.584 -0.185 0.000 1.169 401 A CA 1.848 53.796 52.037 -0.148 0.000 0.635 401 A CB -0.657 18.223 19.000 -0.202 0.000 0.810 401 A HN 0.870 nan 8.150 nan 0.000 0.445 402 A N -0.085 122.592 122.820 -0.239 0.000 1.873 402 A HA -0.034 4.285 4.320 -0.001 0.000 0.215 402 A C 2.072 179.609 177.584 -0.077 0.000 1.186 402 A CA 1.298 53.223 52.037 -0.186 0.000 0.616 402 A CB -0.577 18.330 19.000 -0.156 0.000 0.823 402 A HN 0.635 nan 8.150 nan 0.000 0.442 403 I N -0.510 120.029 120.570 -0.051 0.000 3.010 403 I HA -0.093 4.077 4.170 -0.001 0.000 0.271 403 I C 1.254 177.350 176.117 -0.035 0.000 1.293 403 I CA 1.133 62.415 61.300 -0.030 0.000 1.452 403 I CB -0.136 37.853 38.000 -0.018 0.000 1.082 403 I HN 0.286 nan 8.210 nan 0.000 0.484 404 G N 0.573 109.345 108.800 -0.047 0.000 4.543 404 G HA2 0.269 4.228 3.960 -0.001 0.000 0.286 404 G HA3 0.269 4.228 3.960 -0.001 0.000 0.286 404 G C -0.072 174.803 174.900 -0.041 0.000 1.112 404 G CA 0.110 45.186 45.100 -0.039 0.000 0.870 404 G HN 0.468 nan 8.290 nan 0.000 0.540 405 C N 0.000 119.275 119.300 -0.041 0.000 2.653 405 C HA 0.000 4.459 4.460 -0.001 0.000 0.325 405 C CA 0.000 58.999 59.018 -0.031 0.000 1.963 405 C CB 0.000 27.715 27.740 -0.041 0.000 2.134 405 C HN 0.000 nan 8.230 nan 0.000 0.568