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 1csr_1_A DATA FIRST_RESID 3 DATA SEQUENCE STNLKDVLAS LIPKEQARIK TFRQQHGNTA VGQITVDMSY GGMRGMKGLI DATA SEQUENCE YETSVLDPDE GIRFRGFSIP ECQKLLPKAG GGEEPLPEGL FWLLVTGQIP DATA SEQUENCE TPEQVSWVSK EWAKRAALPS HVVTMLDNFP TNLHPMSQLS AAITALNSES DATA SEQUENCE NFARAYAEGI NRTKYWEFVY EDAMDLIAKL PCVAAKIYRN LYRAGSSIGA DATA SEQUENCE IDSKLDWSHN FTNMLGYTDP QFTELMRLYL TIHSDHEGGN VSAHTSHLVG DATA SEQUENCE SALSDPYLSF AAAMNGLAGP LHGLANQEVL LWLSQLQKDL GADASDEKLR DATA SEQUENCE DYIWNTLNSG RVVPGYGHAV LRKTDPRYTC QREFALKHLP SDPMFKLVAQ DATA SEQUENCE LYKIVPNVLL EQGKAKNPWP NVDAHSGVLL QYYGMTEMNY YTVLFGVSRA DATA SEQUENCE LGVLAQLIWS RALGFPLERP KSMSTAGLEK LSAGG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.511 174.600 -0.148 0.000 1.055 3 S CA 0.000 58.160 58.200 -0.067 0.000 1.107 3 S CB 0.000 63.173 63.200 -0.045 0.000 0.593 4 T N 2.469 116.869 114.554 -0.256 0.000 2.806 4 T HA 0.571 4.899 4.350 -0.037 0.000 0.290 4 T C -0.635 173.559 174.700 -0.843 0.000 0.966 4 T CA -0.210 61.601 62.100 -0.482 0.000 1.060 4 T CB 0.953 69.494 68.868 -0.546 0.000 0.927 4 T HN 0.378 nan 8.240 nan 0.000 0.485 5 N N 2.679 120.981 118.700 -0.663 0.000 2.699 5 N HA 0.169 4.886 4.740 -0.037 0.000 0.271 5 N C 0.528 175.797 175.510 -0.402 0.000 1.216 5 N CA -0.373 52.316 53.050 -0.603 0.000 0.844 5 N CB 0.758 39.107 38.487 -0.230 0.000 1.462 5 N HN 0.330 nan 8.380 nan 0.000 0.555 6 L N 4.116 125.073 121.223 -0.443 0.000 2.083 6 L HA -0.021 4.297 4.340 -0.037 0.000 0.209 6 L C 2.154 178.884 176.870 -0.233 0.000 1.083 6 L CA 1.899 56.579 54.840 -0.267 0.000 0.752 6 L CB -0.432 41.621 42.059 -0.010 0.000 0.899 6 L HN 0.584 nan 8.230 nan 0.000 0.433 7 K N -0.656 119.600 120.400 -0.240 0.000 2.063 7 K HA -0.204 4.093 4.320 -0.037 0.000 0.208 7 K C 1.677 178.172 176.600 -0.176 0.000 1.048 7 K CA 1.812 57.855 56.287 -0.406 0.000 0.928 7 K CB -0.107 32.059 32.500 -0.557 0.000 0.713 7 K HN 0.436 nan 8.250 nan 0.000 0.442 8 D N 0.056 120.370 120.400 -0.143 0.000 2.144 8 D HA -0.118 4.499 4.640 -0.037 0.000 0.200 8 D C 1.957 178.192 176.300 -0.109 0.000 0.978 8 D CA 0.795 54.738 54.000 -0.097 0.000 0.833 8 D CB -0.052 40.697 40.800 -0.084 0.000 0.961 8 D HN 0.029 nan 8.370 nan 0.000 0.470 9 V N 1.286 121.114 119.914 -0.143 0.000 2.307 9 V HA -0.202 3.895 4.120 -0.037 0.000 0.245 9 V C 2.711 178.693 176.094 -0.186 0.000 1.045 9 V CA 1.065 63.284 62.300 -0.135 0.000 1.024 9 V CB -0.446 31.288 31.823 -0.148 0.000 0.651 9 V HN 0.165 nan 8.190 nan 0.000 0.449 10 L N 0.102 121.154 121.223 -0.284 0.000 2.042 10 L HA -0.205 4.112 4.340 -0.037 0.000 0.210 10 L C 2.714 179.289 176.870 -0.492 0.000 1.076 10 L CA 1.633 56.197 54.840 -0.460 0.000 0.749 10 L CB -0.740 40.937 42.059 -0.637 0.000 0.893 10 L HN 0.380 nan 8.230 nan 0.000 0.432 11 A N -0.992 121.656 122.820 -0.286 0.000 1.986 11 A HA -0.232 4.066 4.320 -0.037 0.000 0.220 11 A C 2.435 179.945 177.584 -0.123 0.000 1.171 11 A CA 2.351 54.315 52.037 -0.121 0.000 0.640 11 A CB -0.480 18.555 19.000 0.058 0.000 0.811 11 A HN 0.454 nan 8.150 nan 0.000 0.451 12 S N -1.008 114.622 115.700 -0.116 0.000 2.421 12 S HA 0.097 4.544 4.470 -0.037 0.000 0.224 12 S C 1.783 176.340 174.600 -0.072 0.000 1.035 12 S CA 0.743 58.899 58.200 -0.072 0.000 0.953 12 S CB -0.292 62.878 63.200 -0.050 0.000 0.810 12 S HN 0.474 nan 8.310 nan 0.000 0.497 13 L N 1.405 122.574 121.223 -0.090 0.000 1.994 13 L HA -0.092 4.225 4.340 -0.037 0.000 0.208 13 L C 2.068 178.955 176.870 0.028 0.000 1.071 13 L CA 1.201 56.037 54.840 -0.007 0.000 0.745 13 L CB -0.445 41.647 42.059 0.055 0.000 0.892 13 L HN 0.263 nan 8.230 nan 0.000 0.431 14 I N -0.262 120.220 120.570 -0.147 0.000 2.091 14 I HA -0.321 3.826 4.170 -0.037 0.000 0.240 14 I C -0.566 175.521 176.117 -0.049 0.000 1.046 14 I CA 1.905 63.087 61.300 -0.197 0.000 1.306 14 I CB -1.541 36.059 38.000 -0.667 0.000 1.018 14 I HN 0.264 nan 8.210 nan 0.000 0.404 15 P HA -0.157 nan 4.420 nan 0.000 0.218 15 P C 1.121 178.427 177.300 0.009 0.000 1.149 15 P CA 1.392 64.485 63.100 -0.012 0.000 0.817 15 P CB -0.154 31.540 31.700 -0.010 0.000 0.785 16 K N -0.050 120.355 120.400 0.008 0.000 2.057 16 K HA -0.091 4.207 4.320 -0.037 0.000 0.206 16 K C 1.785 178.394 176.600 0.015 0.000 1.050 16 K CA 1.069 57.361 56.287 0.009 0.000 0.935 16 K CB -0.752 31.747 32.500 -0.001 0.000 0.715 16 K HN 0.193 nan 8.250 nan 0.000 0.439 17 E N 1.762 121.981 120.200 0.032 0.000 2.072 17 E HA -0.136 4.192 4.350 -0.037 0.000 0.191 17 E C 2.187 178.822 176.600 0.058 0.000 0.985 17 E CA 0.983 57.398 56.400 0.025 0.000 0.801 17 E CB -0.135 29.581 29.700 0.027 0.000 0.750 17 E HN 0.406 nan 8.360 nan 0.000 0.452 18 Q N 0.472 120.314 119.800 0.070 0.000 2.030 18 Q HA -0.152 4.166 4.340 -0.037 0.000 0.204 18 Q C 2.229 178.273 176.000 0.074 0.000 0.986 18 Q CA 1.805 57.653 55.803 0.075 0.000 0.843 18 Q CB -0.303 28.468 28.738 0.056 0.000 0.904 18 Q HN 0.254 nan 8.270 nan 0.000 0.420 19 A N 1.517 124.369 122.820 0.054 0.000 1.940 19 A HA -0.255 4.043 4.320 -0.037 0.000 0.219 19 A C 2.052 179.673 177.584 0.062 0.000 1.176 19 A CA 1.805 53.872 52.037 0.051 0.000 0.631 19 A CB -0.597 18.424 19.000 0.034 0.000 0.814 19 A HN 0.379 nan 8.150 nan 0.000 0.446 20 R N -0.268 120.263 120.500 0.053 0.000 2.075 20 R HA 0.006 4.323 4.340 -0.037 0.000 0.232 20 R C 1.772 178.138 176.300 0.111 0.000 1.126 20 R CA 1.866 57.996 56.100 0.051 0.000 0.963 20 R CB -0.493 29.808 30.300 0.002 0.000 0.858 20 R HN 0.437 nan 8.270 nan 0.000 0.435 21 I N 1.210 121.859 120.570 0.131 0.000 2.439 21 I HA -0.177 3.970 4.170 -0.037 0.000 0.251 21 I C 2.553 178.796 176.117 0.210 0.000 1.139 21 I CA 1.187 62.619 61.300 0.220 0.000 1.438 21 I CB -0.225 37.901 38.000 0.209 0.000 1.085 21 I HN 0.293 nan 8.210 nan 0.000 0.427 22 K N 1.002 121.488 120.400 0.144 0.000 2.001 22 K HA -0.213 4.085 4.320 -0.037 0.000 0.214 22 K C 1.966 178.631 176.600 0.108 0.000 1.050 22 K CA 2.389 58.741 56.287 0.109 0.000 0.934 22 K CB -0.328 32.221 32.500 0.082 0.000 0.718 22 K HN 0.145 nan 8.250 nan 0.000 0.443 23 T N 0.753 115.380 114.554 0.120 0.000 2.788 23 T HA -0.125 4.203 4.350 -0.037 0.000 0.268 23 T C 1.395 176.213 174.700 0.197 0.000 1.044 23 T CA 1.178 63.351 62.100 0.122 0.000 1.139 23 T CB -0.407 68.526 68.868 0.109 0.000 0.867 23 T HN 0.292 nan 8.240 nan 0.000 0.454 24 F N 2.584 122.567 119.950 0.056 0.000 2.102 24 F HA -0.032 4.472 4.527 -0.039 0.000 0.298 24 F C 2.269 178.130 175.800 0.103 0.000 1.105 24 F CA 1.073 59.125 58.000 0.086 0.000 1.239 24 F CB -0.441 38.597 39.000 0.062 0.000 0.991 24 F HN -0.045 nan 8.300 nan 0.000 0.474 25 R N -0.155 120.313 120.500 -0.053 0.000 2.115 25 R HA -0.143 4.175 4.340 -0.037 0.000 0.230 25 R C 2.277 178.512 176.300 -0.108 0.000 1.111 25 R CA 1.332 57.315 56.100 -0.195 0.000 0.976 25 R CB -0.425 29.833 30.300 -0.071 0.000 0.870 25 R HN 0.479 nan 8.270 nan 0.000 0.445 26 Q N 0.205 119.990 119.800 -0.025 0.000 2.124 26 Q HA -0.205 4.112 4.340 -0.037 0.000 0.202 26 Q C 1.868 177.830 176.000 -0.062 0.000 0.977 26 Q CA 1.516 57.305 55.803 -0.023 0.000 0.850 26 Q CB 0.114 28.860 28.738 0.013 0.000 0.901 26 Q HN 0.434 nan 8.270 nan 0.000 0.429 27 Q N -1.437 118.329 119.800 -0.057 0.000 2.259 27 Q HA -0.011 4.307 4.340 -0.037 0.000 0.201 27 Q C 0.943 176.704 176.000 -0.399 0.000 0.938 27 Q CA 0.679 56.377 55.803 -0.176 0.000 0.872 27 Q CB 0.602 29.296 28.738 -0.072 0.000 0.971 27 Q HN 0.353 nan 8.270 nan 0.000 0.494 28 H N -1.867 117.090 119.070 -0.188 0.000 2.785 28 H HA 0.237 4.770 4.556 -0.037 0.000 0.268 28 H C 1.359 176.503 175.328 -0.306 0.000 1.153 28 H CA 0.448 56.350 56.048 -0.243 0.000 1.111 28 H CB 0.864 30.445 29.762 -0.302 0.000 1.633 28 H HN 0.312 nan 8.280 nan 0.000 0.576 29 G N 1.880 110.561 108.800 -0.198 0.000 2.485 29 G HA2 -0.285 3.653 3.960 -0.037 0.000 0.221 29 G HA3 -0.285 3.653 3.960 -0.037 0.000 0.221 29 G C 1.429 176.268 174.900 -0.102 0.000 1.115 29 G CA 0.901 45.898 45.100 -0.172 0.000 0.751 29 G HN 0.453 nan 8.290 nan 0.000 0.567 30 N N 0.171 118.826 118.700 -0.075 0.000 2.280 30 N HA -0.008 4.710 4.740 -0.037 0.000 0.192 30 N C -0.037 175.459 175.510 -0.023 0.000 1.109 30 N CA 0.140 53.162 53.050 -0.046 0.000 0.855 30 N CB -0.153 38.308 38.487 -0.042 0.000 0.974 30 N HN 0.005 nan 8.380 nan 0.000 0.482 31 T N 1.470 116.022 114.554 -0.004 0.000 2.870 31 T HA 0.396 4.723 4.350 -0.037 0.000 0.300 31 T C 0.306 175.012 174.700 0.009 0.000 0.989 31 T CA -0.391 61.733 62.100 0.039 0.000 1.139 31 T CB 1.238 70.195 68.868 0.148 0.000 0.920 31 T HN 0.319 nan 8.240 nan 0.000 0.537 32 A N 2.589 125.416 122.820 0.011 0.000 2.328 32 A HA 0.484 4.782 4.320 -0.037 0.000 0.284 32 A C 1.283 178.869 177.584 0.003 0.000 1.160 32 A CA -0.749 51.289 52.037 0.001 0.000 0.818 32 A CB 0.267 19.267 19.000 -0.000 0.000 1.087 32 A HN 0.946 nan 8.150 nan 0.000 0.504 33 V N 0.628 120.539 119.914 -0.004 0.000 3.660 33 V HA 0.623 4.721 4.120 -0.037 0.000 0.276 33 V C 0.663 176.753 176.094 -0.007 0.000 1.317 33 V CA 0.796 63.093 62.300 -0.004 0.000 1.097 33 V CB -0.682 31.137 31.823 -0.006 0.000 0.863 33 V HN 1.536 nan 8.190 nan 0.000 0.438 34 G N -0.718 108.077 108.800 -0.007 0.000 0.000 34 G HA2 0.499 4.437 3.960 -0.037 0.000 0.000 34 G HA3 0.499 4.437 3.960 -0.037 0.000 0.000 34 G C -2.113 172.784 174.900 -0.006 0.000 0.000 34 G CA -0.669 44.427 45.100 -0.007 0.000 0.000 34 G HN 0.152 nan 8.290 nan 0.000 0.000 35 Q N -0.716 119.081 119.800 -0.005 0.000 2.423 35 Q HA 0.581 4.898 4.340 -0.037 0.000 0.278 35 Q C -0.949 175.049 176.000 -0.003 0.000 1.097 35 Q CA -0.779 55.022 55.803 -0.003 0.000 0.809 35 Q CB 3.035 31.773 28.738 -0.000 0.000 1.391 35 Q HN 0.509 nan 8.270 nan 0.000 0.428 36 I N 1.362 121.930 120.570 -0.003 0.000 2.377 36 I HA 0.357 4.505 4.170 -0.037 0.000 0.293 36 I C 0.369 176.488 176.117 0.003 0.000 0.987 36 I CA -0.512 60.786 61.300 -0.003 0.000 1.185 36 I CB 1.773 39.767 38.000 -0.010 0.000 1.341 36 I HN 0.608 nan 8.210 nan 0.000 0.455 37 T N 1.406 115.966 114.554 0.011 0.000 2.940 37 T HA 0.396 4.724 4.350 -0.037 0.000 0.288 37 T C 1.012 175.735 174.700 0.038 0.000 1.045 37 T CA -0.780 61.334 62.100 0.024 0.000 1.018 37 T CB 1.960 70.845 68.868 0.028 0.000 1.151 37 T HN 0.195 nan 8.240 nan 0.000 0.529 38 V N 1.005 120.956 119.914 0.062 0.000 2.282 38 V HA -0.170 3.927 4.120 -0.037 0.000 0.249 38 V C 2.467 178.673 176.094 0.186 0.000 1.057 38 V CA 2.183 64.554 62.300 0.118 0.000 1.032 38 V CB -0.782 31.132 31.823 0.152 0.000 0.645 38 V HN 0.897 nan 8.190 nan 0.000 0.447 39 D N -0.468 120.015 120.400 0.139 0.000 2.178 39 D HA -0.138 4.480 4.640 -0.037 0.000 0.201 39 D C 2.152 178.518 176.300 0.110 0.000 0.980 39 D CA 1.312 55.395 54.000 0.139 0.000 0.842 39 D CB -0.189 40.654 40.800 0.072 0.000 0.948 39 D HN 0.420 nan 8.370 nan 0.000 0.472 40 M N -0.158 119.480 119.600 0.063 0.000 2.229 40 M HA -0.084 4.374 4.480 -0.037 0.000 0.264 40 M C 2.217 178.530 176.300 0.021 0.000 1.063 40 M CA 0.777 56.098 55.300 0.035 0.000 1.114 40 M CB 0.056 32.663 32.600 0.013 0.000 1.387 40 M HN -0.163 nan 8.290 nan 0.000 0.420 41 S N -0.555 115.144 115.700 -0.002 0.000 2.383 41 S HA -0.098 4.350 4.470 -0.037 0.000 0.227 41 S C 1.634 176.164 174.600 -0.117 0.000 1.026 41 S CA 1.047 59.194 58.200 -0.089 0.000 0.981 41 S CB -0.318 62.779 63.200 -0.171 0.000 0.818 41 S HN 0.397 nan 8.310 nan 0.000 0.472 42 Y N 1.385 121.683 120.300 -0.004 0.000 2.457 42 Y HA 0.171 4.699 4.550 -0.036 0.000 0.292 42 Y C 2.158 178.054 175.900 -0.008 0.000 1.125 42 Y CA 0.362 58.459 58.100 -0.005 0.000 1.254 42 Y CB -0.325 38.132 38.460 -0.005 0.000 1.012 42 Y HN 0.304 nan 8.280 nan 0.000 0.555 43 G N -1.102 107.781 108.800 0.138 0.000 3.678 43 G HA2 0.365 4.302 3.960 -0.037 0.000 0.287 43 G HA3 0.365 4.302 3.960 -0.037 0.000 0.287 43 G C 1.016 175.935 174.900 0.032 0.000 1.280 43 G CA 0.016 45.160 45.100 0.074 0.000 1.118 43 G HN 0.450 nan 8.290 nan 0.000 0.563 44 G N 0.730 109.543 108.800 0.021 0.000 2.305 44 G HA2 -0.314 3.623 3.960 -0.037 0.000 0.287 44 G HA3 -0.314 3.623 3.960 -0.037 0.000 0.287 44 G C 0.919 175.820 174.900 0.002 0.000 1.036 44 G CA 0.419 45.522 45.100 0.004 0.000 0.887 44 G HN 1.006 nan 8.290 nan 0.000 0.505 45 M N -3.068 116.533 119.600 0.002 0.000 2.818 45 M HA -0.197 4.260 4.480 -0.037 0.000 0.194 45 M C 1.012 177.308 176.300 -0.007 0.000 0.586 45 M CA 1.408 56.706 55.300 -0.003 0.000 0.664 45 M CB -0.798 31.802 32.600 0.000 0.000 2.418 45 M HN 0.485 nan 8.290 nan 0.000 0.517 46 R N 1.181 121.680 120.500 -0.001 0.000 2.504 46 R HA 0.267 4.585 4.340 -0.037 0.000 0.291 46 R C 1.336 177.634 176.300 -0.003 0.000 0.974 46 R CA 2.028 58.126 56.100 -0.004 0.000 1.077 46 R CB 0.036 30.337 30.300 0.001 0.000 0.926 46 R HN 0.525 nan 8.270 nan 0.000 0.407 47 G N 3.180 111.975 108.800 -0.008 0.000 2.179 47 G HA2 -0.303 3.634 3.960 -0.037 0.000 0.260 47 G HA3 -0.303 3.634 3.960 -0.037 0.000 0.260 47 G C 0.054 174.945 174.900 -0.015 0.000 0.977 47 G CA 0.304 45.399 45.100 -0.008 0.000 0.641 47 G HN 0.515 nan 8.290 nan 0.000 0.533 48 M N 0.440 120.028 119.600 -0.021 0.000 2.188 48 M HA 0.339 4.797 4.480 -0.037 0.000 0.357 48 M C 0.352 176.627 176.300 -0.041 0.000 1.204 48 M CA -0.222 55.062 55.300 -0.026 0.000 1.095 48 M CB 1.278 33.864 32.600 -0.024 0.000 1.604 48 M HN -0.005 nan 8.290 nan 0.000 0.464 49 K N 1.952 122.329 120.400 -0.038 0.000 2.262 49 K HA 0.235 4.533 4.320 -0.037 0.000 0.288 49 K C 0.810 177.376 176.600 -0.056 0.000 1.090 49 K CA -0.149 56.109 56.287 -0.047 0.000 0.918 49 K CB 0.434 32.913 32.500 -0.035 0.000 1.139 49 K HN 0.954 nan 8.250 nan 0.000 0.462 50 G N 3.225 111.977 108.800 -0.081 0.000 3.104 50 G HA2 0.190 4.128 3.960 -0.037 0.000 0.237 50 G HA3 0.190 4.128 3.960 -0.037 0.000 0.237 50 G C -0.040 174.797 174.900 -0.105 0.000 1.035 50 G CA -0.107 44.943 45.100 -0.084 0.000 0.844 50 G HN 0.351 nan 8.290 nan 0.000 0.531 51 L N 0.490 121.633 121.223 -0.132 0.000 2.359 51 L HA 0.599 4.916 4.340 -0.037 0.000 0.256 51 L C -0.978 175.839 176.870 -0.089 0.000 1.026 51 L CA -1.209 53.547 54.840 -0.139 0.000 0.828 51 L CB 2.435 44.336 42.059 -0.263 0.000 1.406 51 L HN -0.224 nan 8.230 nan 0.000 0.413 52 I N 1.489 122.014 120.570 -0.075 0.000 2.354 52 I HA 0.335 4.483 4.170 -0.037 0.000 0.292 52 I C -1.383 174.845 176.117 0.184 0.000 0.989 52 I CA -0.294 61.018 61.300 0.019 0.000 1.188 52 I CB 1.335 39.311 38.000 -0.039 0.000 1.342 52 I HN 0.529 nan 8.210 nan 0.000 0.457 53 Y N 5.934 126.251 120.300 0.029 0.000 2.315 53 Y HA 0.263 4.788 4.550 -0.043 0.000 0.324 53 Y C 0.876 176.793 175.900 0.030 0.000 1.062 53 Y CA -0.430 57.696 58.100 0.044 0.000 1.159 53 Y CB 1.449 39.874 38.460 -0.058 0.000 1.145 53 Y HN 0.549 nan 8.280 nan 0.000 0.442 54 E N 1.190 121.315 120.200 -0.124 0.000 2.170 54 E HA -0.091 4.237 4.350 -0.037 0.000 0.191 54 E C 1.873 178.383 176.600 -0.149 0.000 0.981 54 E CA 1.475 57.776 56.400 -0.164 0.000 0.830 54 E CB -0.001 29.496 29.700 -0.338 0.000 0.775 54 E HN 0.866 nan 8.360 nan 0.000 0.470 55 T N -0.490 113.964 114.554 -0.168 0.000 2.833 55 T HA -0.084 4.244 4.350 -0.037 0.000 0.269 55 T C 1.214 176.017 174.700 0.173 0.000 1.054 55 T CA 1.037 63.128 62.100 -0.016 0.000 1.135 55 T CB -0.099 68.754 68.868 -0.026 0.000 0.869 55 T HN 0.122 nan 8.240 nan 0.000 0.466 56 S N -1.027 114.823 115.700 0.250 0.000 2.565 56 S HA 0.657 5.104 4.470 -0.037 0.000 0.269 56 S C -1.547 173.117 174.600 0.105 0.000 1.153 56 S CA -1.005 57.315 58.200 0.201 0.000 0.835 56 S CB 2.206 65.589 63.200 0.305 0.000 1.122 56 S HN 0.245 nan 8.310 nan 0.000 0.462 57 V N 1.847 121.741 119.914 -0.032 0.000 2.623 57 V HA 0.599 4.697 4.120 -0.037 0.000 0.304 57 V C -1.144 174.847 176.094 -0.171 0.000 1.054 57 V CA -0.613 61.638 62.300 -0.082 0.000 0.882 57 V CB 1.559 33.338 31.823 -0.072 0.000 1.002 57 V HN 0.939 nan 8.190 nan 0.000 0.424 58 L N 3.639 124.739 121.223 -0.205 0.000 2.295 58 L HA 0.662 4.979 4.340 -0.037 0.000 0.285 58 L C -0.382 176.388 176.870 -0.166 0.000 1.035 58 L CA 0.249 54.932 54.840 -0.262 0.000 0.806 58 L CB 1.439 43.265 42.059 -0.388 0.000 1.214 58 L HN 0.791 nan 8.230 nan 0.000 0.426 59 D N 5.687 125.996 120.400 -0.151 0.000 2.232 59 D HA 0.421 5.038 4.640 -0.037 0.000 0.242 59 D C -1.821 174.427 176.300 -0.086 0.000 1.093 59 D CA -1.781 52.157 54.000 -0.103 0.000 0.845 59 D CB 1.831 42.574 40.800 -0.095 0.000 1.124 59 D HN 0.378 nan 8.370 nan 0.000 0.467 60 P HA -0.098 nan 4.420 nan 0.000 0.219 60 P C 0.192 177.478 177.300 -0.024 0.000 1.146 60 P CA 1.012 64.098 63.100 -0.024 0.000 0.808 60 P CB 0.346 32.048 31.700 0.004 0.000 0.779 61 D N -0.723 119.655 120.400 -0.036 0.000 2.414 61 D HA -0.026 4.592 4.640 -0.037 0.000 0.237 61 D C 1.773 178.034 176.300 -0.064 0.000 0.975 61 D CA 0.796 54.771 54.000 -0.042 0.000 0.917 61 D CB -0.288 40.492 40.800 -0.034 0.000 1.061 61 D HN 0.197 nan 8.370 nan 0.000 0.480 62 E N 0.329 120.488 120.200 -0.068 0.000 2.299 62 E HA 0.237 4.564 4.350 -0.037 0.000 0.193 62 E C 0.841 177.387 176.600 -0.090 0.000 0.998 62 E CA 0.440 56.795 56.400 -0.076 0.000 0.851 62 E CB 0.516 30.174 29.700 -0.070 0.000 0.795 62 E HN 0.285 nan 8.360 nan 0.000 0.492 63 G N 0.630 109.366 108.800 -0.107 0.000 2.685 63 G HA2 -0.264 3.673 3.960 -0.037 0.000 0.387 63 G HA3 -0.264 3.673 3.960 -0.037 0.000 0.387 63 G C -0.565 174.226 174.900 -0.182 0.000 1.324 63 G CA -0.498 44.528 45.100 -0.122 0.000 0.878 63 G HN 0.162 nan 8.290 nan 0.000 0.527 64 I N 0.670 121.108 120.570 -0.220 0.000 2.692 64 I HA 0.533 4.681 4.170 -0.037 0.000 0.284 64 I C 0.868 176.730 176.117 -0.425 0.000 1.159 64 I CA 0.134 61.210 61.300 -0.374 0.000 1.423 64 I CB 0.371 38.118 38.000 -0.421 0.000 1.380 64 I HN 0.550 nan 8.210 nan 0.000 0.580 65 R N 6.519 126.779 120.500 -0.399 0.000 2.513 65 R HA 0.412 4.730 4.340 -0.037 0.000 0.301 65 R C -1.597 174.562 176.300 -0.236 0.000 0.968 65 R CA -0.599 55.329 56.100 -0.287 0.000 0.872 65 R CB 1.259 31.465 30.300 -0.157 0.000 1.177 65 R HN 0.363 nan 8.270 nan 0.000 0.444 66 F N 3.186 123.193 119.950 0.094 0.000 2.334 66 F HA 0.333 4.836 4.527 -0.041 0.000 0.367 66 F C 0.689 176.569 175.800 0.133 0.000 1.115 66 F CA -0.907 57.169 58.000 0.128 0.000 1.116 66 F CB 0.913 40.020 39.000 0.179 0.000 1.230 66 F HN 0.380 nan 8.300 nan 0.000 0.484 67 R N 1.895 122.515 120.500 0.200 0.000 3.516 67 R HA -0.227 4.091 4.340 -0.037 0.000 0.271 67 R C 1.157 177.373 176.300 -0.140 0.000 1.098 67 R CA 0.776 56.914 56.100 0.063 0.000 0.732 67 R CB -2.096 28.285 30.300 0.134 0.000 1.152 67 R HN 1.179 nan 8.270 nan 0.000 0.455 68 G N -1.679 107.013 108.800 -0.180 0.000 2.217 68 G HA2 -0.332 3.606 3.960 -0.037 0.000 0.246 68 G HA3 -0.332 3.606 3.960 -0.037 0.000 0.246 68 G C -0.018 174.599 174.900 -0.472 0.000 0.990 68 G CA 0.224 45.094 45.100 -0.383 0.000 0.627 68 G HN 0.267 nan 8.290 nan 0.000 0.522 69 F N 2.408 122.393 119.950 0.058 0.000 2.436 69 F HA 0.666 5.170 4.527 -0.039 0.000 0.340 69 F C 1.019 176.854 175.800 0.059 0.000 1.113 69 F CA -0.424 57.617 58.000 0.069 0.000 1.022 69 F CB 1.788 40.857 39.000 0.115 0.000 1.128 69 F HN 0.250 nan 8.300 nan 0.000 0.466 70 S N 2.987 118.803 115.700 0.193 0.000 2.624 70 S HA 0.316 4.763 4.470 -0.037 0.000 0.263 70 S C 1.314 176.011 174.600 0.161 0.000 1.287 70 S CA -0.686 57.563 58.200 0.082 0.000 0.990 70 S CB 0.585 63.810 63.200 0.042 0.000 0.950 70 S HN 0.627 nan 8.310 nan 0.000 0.561 71 I N 1.216 121.849 120.570 0.105 0.000 2.151 71 I HA -0.114 4.034 4.170 -0.037 0.000 0.243 71 I C -0.684 175.503 176.117 0.117 0.000 1.080 71 I CA 1.288 62.682 61.300 0.158 0.000 1.339 71 I CB -1.733 36.330 38.000 0.106 0.000 1.039 71 I HN 0.528 nan 8.210 nan 0.000 0.409 72 P HA -0.148 nan 4.420 nan 0.000 0.216 72 P C 1.368 178.707 177.300 0.065 0.000 1.153 72 P CA 1.460 64.593 63.100 0.056 0.000 0.848 72 P CB -0.063 31.660 31.700 0.038 0.000 0.787 73 E N -0.914 119.345 120.200 0.098 0.000 2.085 73 E HA -0.174 4.153 4.350 -0.037 0.000 0.194 73 E C 2.063 178.683 176.600 0.033 0.000 0.994 73 E CA 1.339 57.800 56.400 0.102 0.000 0.801 73 E CB -0.662 29.180 29.700 0.236 0.000 0.743 73 E HN 0.217 nan 8.360 nan 0.000 0.453 74 C N 0.516 119.866 119.300 0.083 0.000 2.429 74 C HA -0.131 4.306 4.460 -0.037 0.000 0.277 74 C C 2.731 177.726 174.990 0.008 0.000 1.262 74 C CA 0.670 59.706 59.018 0.030 0.000 1.733 74 C CB -0.788 27.034 27.740 0.136 0.000 2.010 74 C HN 0.473 nan 8.230 nan 0.000 0.483 75 Q N 1.006 120.830 119.800 0.039 0.000 2.135 75 Q HA -0.258 4.060 4.340 -0.037 0.000 0.204 75 Q C 2.204 178.207 176.000 0.006 0.000 0.981 75 Q CA 2.099 57.919 55.803 0.028 0.000 0.856 75 Q CB -0.094 28.667 28.738 0.038 0.000 0.902 75 Q HN 0.726 nan 8.270 nan 0.000 0.425 76 K N -0.662 119.737 120.400 -0.000 0.000 2.186 76 K HA -0.040 4.258 4.320 -0.037 0.000 0.202 76 K C 1.498 178.073 176.600 -0.043 0.000 1.052 76 K CA 0.883 57.162 56.287 -0.014 0.000 0.965 76 K CB 0.141 32.639 32.500 -0.003 0.000 0.746 76 K HN 0.214 nan 8.250 nan 0.000 0.457 77 L N 0.759 121.932 121.223 -0.083 0.000 2.408 77 L HA 0.223 4.540 4.340 -0.037 0.000 0.215 77 L C 0.448 177.247 176.870 -0.120 0.000 1.081 77 L CA -0.276 54.488 54.840 -0.128 0.000 0.840 77 L CB 0.009 41.918 42.059 -0.250 0.000 1.002 77 L HN 0.047 nan 8.230 nan 0.000 0.468 78 L N 1.299 122.464 121.223 -0.098 0.000 2.426 78 L HA 0.189 4.507 4.340 -0.037 0.000 0.271 78 L C -2.017 174.822 176.870 -0.052 0.000 1.169 78 L CA -1.941 52.855 54.840 -0.075 0.000 0.836 78 L CB -0.077 41.954 42.059 -0.046 0.000 1.112 78 L HN -0.240 nan 8.230 nan 0.000 0.465 79 P HA 0.083 nan 4.420 nan 0.000 0.267 79 P C -0.992 176.296 177.300 -0.019 0.000 1.200 79 P CA 0.124 63.197 63.100 -0.045 0.000 0.772 79 P CB 0.628 32.291 31.700 -0.062 0.000 0.855 80 K N 1.103 121.495 120.400 -0.013 0.000 2.306 80 K HA 0.725 5.022 4.320 -0.037 0.000 0.236 80 K C -0.147 176.456 176.600 0.006 0.000 1.013 80 K CA -0.870 55.418 56.287 0.002 0.000 0.857 80 K CB 1.266 33.768 32.500 0.003 0.000 1.214 80 K HN 0.402 nan 8.250 nan 0.000 0.449 81 A N 0.223 123.051 122.820 0.015 0.000 2.386 81 A HA 0.419 4.716 4.320 -0.037 0.000 0.246 81 A C 0.335 177.927 177.584 0.014 0.000 1.089 81 A CA 0.191 52.240 52.037 0.020 0.000 0.790 81 A CB -0.247 18.766 19.000 0.022 0.000 1.042 81 A HN 0.713 nan 8.150 nan 0.000 0.497 82 G N -0.755 108.056 108.800 0.019 0.000 2.307 82 G HA2 0.507 4.445 3.960 -0.037 0.000 0.271 82 G HA3 0.507 4.445 3.960 -0.037 0.000 0.271 82 G C 1.153 176.061 174.900 0.012 0.000 1.191 82 G CA 0.561 45.670 45.100 0.014 0.000 1.024 82 G HN 2.281 nan 8.290 nan 0.000 0.441 83 G N 1.370 110.175 108.800 0.007 0.000 2.176 83 G HA2 -0.019 3.918 3.960 -0.037 0.000 0.253 83 G HA3 -0.019 3.918 3.960 -0.037 0.000 0.253 83 G C 0.883 175.786 174.900 0.005 0.000 0.979 83 G CA 0.467 45.571 45.100 0.006 0.000 0.641 83 G HN 1.491 nan 8.290 nan 0.000 0.530 84 G N -1.022 107.781 108.800 0.004 0.000 2.562 84 G HA2 0.569 4.507 3.960 -0.037 0.000 0.275 84 G HA3 0.569 4.507 3.960 -0.037 0.000 0.275 84 G C 0.447 175.354 174.900 0.012 0.000 1.196 84 G CA 0.484 45.586 45.100 0.005 0.000 0.908 84 G HN 0.271 nan 8.290 nan 0.000 0.524 85 E N -1.030 119.183 120.200 0.021 0.000 2.441 85 E HA 0.030 4.358 4.350 -0.037 0.000 0.212 85 E C -0.095 176.531 176.600 0.043 0.000 0.840 85 E CA -0.086 56.333 56.400 0.032 0.000 1.143 85 E CB 0.549 30.278 29.700 0.049 0.000 1.153 85 E HN 0.448 nan 8.360 nan 0.000 0.539 86 E N 2.461 122.689 120.200 0.047 0.000 2.301 86 E HA 0.225 4.553 4.350 -0.037 0.000 0.275 86 E C -2.410 174.210 176.600 0.034 0.000 1.030 86 E CA -2.549 53.881 56.400 0.050 0.000 0.852 86 E CB 0.669 30.404 29.700 0.058 0.000 1.060 86 E HN 0.020 nan 8.360 nan 0.000 0.401 87 P HA 0.094 nan 4.420 nan 0.000 0.271 87 P C -0.112 177.218 177.300 0.050 0.000 1.216 87 P CA -0.029 63.090 63.100 0.031 0.000 0.771 87 P CB 0.551 32.267 31.700 0.026 0.000 0.864 88 L N 5.960 127.215 121.223 0.053 0.000 2.380 88 L HA 0.162 4.480 4.340 -0.037 0.000 0.273 88 L C -0.893 176.054 176.870 0.127 0.000 1.138 88 L CA -1.725 53.171 54.840 0.093 0.000 0.832 88 L CB 0.713 42.818 42.059 0.076 0.000 1.124 88 L HN 0.279 nan 8.230 nan 0.000 0.454 89 P HA -0.134 nan 4.420 nan 0.000 0.220 89 P C 0.950 178.392 177.300 0.236 0.000 1.148 89 P CA 0.959 64.211 63.100 0.254 0.000 0.803 89 P CB 0.375 32.328 31.700 0.422 0.000 0.782 90 E N 0.008 120.311 120.200 0.172 0.000 2.085 90 E HA -0.129 4.198 4.350 -0.037 0.000 0.194 90 E C 2.326 178.997 176.600 0.118 0.000 0.994 90 E CA 1.838 58.225 56.400 -0.021 0.000 0.801 90 E CB -1.256 28.351 29.700 -0.155 0.000 0.743 90 E HN 0.289 nan 8.360 nan 0.000 0.453 91 G N 0.236 109.096 108.800 0.100 0.000 2.421 91 G HA2 -0.185 3.752 3.960 -0.037 0.000 0.217 91 G HA3 -0.185 3.752 3.960 -0.037 0.000 0.217 91 G C 1.501 176.497 174.900 0.161 0.000 1.143 91 G CA 0.500 45.664 45.100 0.108 0.000 0.784 91 G HN 0.210 nan 8.290 nan 0.000 0.541 92 L N -0.204 121.096 121.223 0.128 0.000 2.017 92 L HA 0.090 4.407 4.340 -0.037 0.000 0.208 92 L C 2.413 179.377 176.870 0.156 0.000 1.073 92 L CA 1.660 56.540 54.840 0.067 0.000 0.745 92 L CB -0.604 41.434 42.059 -0.035 0.000 0.894 92 L HN 0.189 nan 8.230 nan 0.000 0.432 93 F N -0.537 119.479 119.950 0.109 0.000 2.065 93 F HA -0.314 4.188 4.527 -0.041 0.000 0.298 93 F C 2.320 178.228 175.800 0.179 0.000 1.112 93 F CA 2.302 60.393 58.000 0.151 0.000 1.212 93 F CB -0.813 38.334 39.000 0.244 0.000 0.975 93 F HN 0.371 nan 8.300 nan 0.000 0.476 94 W N 0.951 122.280 121.300 0.048 0.000 2.321 94 W HA -0.275 4.363 4.660 -0.036 0.000 0.306 94 W C 2.191 178.670 176.519 -0.067 0.000 1.217 94 W CA 1.950 59.273 57.345 -0.038 0.000 1.257 94 W CB -0.910 28.574 29.460 0.040 0.000 1.145 94 W HN 0.248 nan 8.180 nan 0.000 0.509 95 L N 1.166 122.559 121.223 0.283 0.000 2.046 95 L HA -0.176 4.142 4.340 -0.037 0.000 0.208 95 L C 2.461 179.372 176.870 0.068 0.000 1.077 95 L CA 1.915 56.877 54.840 0.202 0.000 0.747 95 L CB -1.194 40.965 42.059 0.165 0.000 0.896 95 L HN -0.047 nan 8.230 nan 0.000 0.432 96 L N -1.645 119.574 121.223 -0.006 0.000 2.046 96 L HA -0.194 4.123 4.340 -0.037 0.000 0.208 96 L C 2.475 179.285 176.870 -0.099 0.000 1.077 96 L CA 1.115 55.937 54.840 -0.030 0.000 0.747 96 L CB -0.662 41.382 42.059 -0.025 0.000 0.896 96 L HN 0.136 nan 8.230 nan 0.000 0.432 97 V N -0.243 119.524 119.914 -0.245 0.000 2.307 97 V HA -0.233 3.864 4.120 -0.037 0.000 0.245 97 V C 2.559 178.632 176.094 -0.035 0.000 1.045 97 V CA 2.383 64.570 62.300 -0.188 0.000 1.024 97 V CB -0.493 31.000 31.823 -0.550 0.000 0.651 97 V HN 0.684 nan 8.190 nan 0.000 0.449 98 T N -3.861 110.562 114.554 -0.218 0.000 3.014 98 T HA 0.311 4.638 4.350 -0.037 0.000 0.250 98 T C 1.562 176.235 174.700 -0.043 0.000 1.060 98 T CA 1.009 63.025 62.100 -0.140 0.000 1.040 98 T CB 0.834 69.521 68.868 -0.302 0.000 0.971 98 T HN 0.940 nan 8.240 nan 0.000 0.497 99 G N 0.981 109.772 108.800 -0.015 0.000 2.179 99 G HA2 -0.228 3.710 3.960 -0.037 0.000 0.260 99 G HA3 -0.228 3.710 3.960 -0.037 0.000 0.260 99 G C -0.209 174.777 174.900 0.142 0.000 0.977 99 G CA 0.256 45.374 45.100 0.031 0.000 0.641 99 G HN 0.711 nan 8.290 nan 0.000 0.533 100 Q N -0.497 119.415 119.800 0.187 0.000 2.345 100 Q HA 0.655 4.973 4.340 -0.037 0.000 0.268 100 Q C 0.448 176.618 176.000 0.284 0.000 1.054 100 Q CA -1.039 54.909 55.803 0.242 0.000 0.835 100 Q CB 1.905 30.795 28.738 0.254 0.000 1.339 100 Q HN 0.301 nan 8.270 nan 0.000 0.447 101 I N 4.125 124.782 120.570 0.143 0.000 2.556 101 I HA 0.139 4.287 4.170 -0.037 0.000 0.284 101 I C -1.914 174.179 176.117 -0.039 0.000 1.114 101 I CA -1.411 59.891 61.300 0.004 0.000 1.418 101 I CB 0.192 38.107 38.000 -0.141 0.000 1.394 101 I HN 0.363 nan 8.210 nan 0.000 0.552 102 P HA 0.251 nan 4.420 nan 0.000 0.280 102 P C -0.444 176.652 177.300 -0.340 0.000 1.272 102 P CA -0.381 62.424 63.100 -0.491 0.000 0.819 102 P CB 0.936 32.158 31.700 -0.798 0.000 1.122 103 T N -2.970 111.347 114.554 -0.396 0.000 2.847 103 T HA 0.329 4.656 4.350 -0.037 0.000 0.279 103 T C -1.925 172.631 174.700 -0.240 0.000 0.984 103 T CA -1.749 60.198 62.100 -0.255 0.000 0.988 103 T CB 0.217 68.957 68.868 -0.213 0.000 1.040 103 T HN 0.141 nan 8.240 nan 0.000 0.528 104 P HA 0.074 nan 4.420 nan 0.000 0.225 104 P C 1.071 178.303 177.300 -0.114 0.000 1.156 104 P CA 0.667 63.696 63.100 -0.119 0.000 0.787 104 P CB 0.093 31.747 31.700 -0.077 0.000 0.802 105 E N -0.237 119.888 120.200 -0.125 0.000 2.072 105 E HA -0.151 4.177 4.350 -0.037 0.000 0.191 105 E C 2.160 178.690 176.600 -0.117 0.000 0.985 105 E CA 1.145 57.488 56.400 -0.095 0.000 0.801 105 E CB -0.773 28.873 29.700 -0.091 0.000 0.750 105 E HN 0.339 nan 8.360 nan 0.000 0.452 106 Q N -0.051 119.586 119.800 -0.271 0.000 2.084 106 Q HA -0.125 4.192 4.340 -0.037 0.000 0.202 106 Q C 2.219 178.085 176.000 -0.224 0.000 0.978 106 Q CA 1.508 57.048 55.803 -0.437 0.000 0.844 106 Q CB -0.084 28.027 28.738 -1.044 0.000 0.898 106 Q HN 0.161 nan 8.270 nan 0.000 0.426 107 V N 1.083 120.855 119.914 -0.238 0.000 2.332 107 V HA -0.277 3.821 4.120 -0.037 0.000 0.248 107 V C 2.294 178.346 176.094 -0.071 0.000 1.055 107 V CA 2.068 64.291 62.300 -0.128 0.000 1.038 107 V CB -0.812 30.940 31.823 -0.119 0.000 0.651 107 V HN 0.458 nan 8.190 nan 0.000 0.450 108 S N -1.388 114.286 115.700 -0.043 0.000 2.474 108 S HA -0.236 4.212 4.470 -0.037 0.000 0.235 108 S C 1.545 176.145 174.600 -0.000 0.000 0.997 108 S CA 1.177 59.362 58.200 -0.025 0.000 0.949 108 S CB -0.741 62.454 63.200 -0.010 0.000 0.766 108 S HN 0.777 nan 8.310 nan 0.000 0.517 109 W N 2.656 123.882 121.300 -0.124 0.000 2.409 109 W HA -0.017 4.620 4.660 -0.038 0.000 0.299 109 W C 1.816 178.252 176.519 -0.139 0.000 1.203 109 W CA 0.955 58.248 57.345 -0.086 0.000 1.298 109 W CB -0.447 28.990 29.460 -0.039 0.000 1.127 109 W HN 0.079 nan 8.180 nan 0.000 0.528 110 V N 1.096 120.929 119.914 -0.135 0.000 2.332 110 V HA -0.385 3.713 4.120 -0.037 0.000 0.248 110 V C 2.374 177.930 176.094 -0.896 0.000 1.055 110 V CA 2.416 64.312 62.300 -0.673 0.000 1.038 110 V CB -1.503 30.008 31.823 -0.520 0.000 0.651 110 V HN 0.238 nan 8.190 nan 0.000 0.450 111 S N -0.360 115.043 115.700 -0.494 0.000 2.370 111 S HA -0.272 4.175 4.470 -0.037 0.000 0.226 111 S C 1.995 176.455 174.600 -0.233 0.000 1.033 111 S CA 1.813 59.843 58.200 -0.284 0.000 1.011 111 S CB -0.330 62.817 63.200 -0.088 0.000 0.852 111 S HN 0.574 nan 8.310 nan 0.000 0.457 112 K N 0.749 120.978 120.400 -0.285 0.000 2.097 112 K HA -0.037 4.260 4.320 -0.037 0.000 0.205 112 K C 2.308 178.729 176.600 -0.298 0.000 1.050 112 K CA 1.012 57.161 56.287 -0.231 0.000 0.938 112 K CB -0.109 32.275 32.500 -0.193 0.000 0.718 112 K HN 0.107 nan 8.250 nan 0.000 0.442 113 E N -0.015 119.836 120.200 -0.582 0.000 2.038 113 E HA -0.192 4.136 4.350 -0.037 0.000 0.195 113 E C 1.513 177.993 176.600 -0.201 0.000 1.000 113 E CA 1.461 57.526 56.400 -0.558 0.000 0.803 113 E CB -0.151 28.916 29.700 -1.055 0.000 0.750 113 E HN 0.313 nan 8.360 nan 0.000 0.448 114 W N 0.267 121.367 121.300 -0.333 0.000 2.374 114 W HA 0.043 4.684 4.660 -0.031 0.000 0.288 114 W C 2.272 178.734 176.519 -0.096 0.000 1.218 114 W CA 0.996 58.197 57.345 -0.239 0.000 1.245 114 W CB -1.281 27.977 29.460 -0.337 0.000 1.126 114 W HN 0.212 nan 8.180 nan 0.000 0.545 115 A N 0.641 123.524 122.820 0.105 0.000 1.930 115 A HA -0.149 4.148 4.320 -0.037 0.000 0.215 115 A C 2.066 179.673 177.584 0.038 0.000 1.176 115 A CA 1.458 53.545 52.037 0.083 0.000 0.632 115 A CB -0.509 18.523 19.000 0.053 0.000 0.819 115 A HN 0.280 nan 8.150 nan 0.000 0.445 116 K N -0.166 120.233 120.400 -0.003 0.000 2.097 116 K HA -0.117 4.181 4.320 -0.037 0.000 0.206 116 K C 1.864 178.472 176.600 0.012 0.000 1.049 116 K CA 1.423 57.706 56.287 -0.006 0.000 0.933 116 K CB -0.191 32.292 32.500 -0.029 0.000 0.717 116 K HN 0.375 nan 8.250 nan 0.000 0.442 117 R N 0.793 121.305 120.500 0.020 0.000 2.299 117 R HA 0.137 4.455 4.340 -0.037 0.000 0.197 117 R C 0.409 176.724 176.300 0.025 0.000 0.971 117 R CA 0.015 56.129 56.100 0.024 0.000 1.030 117 R CB 0.171 30.482 30.300 0.019 0.000 0.932 117 R HN 0.052 nan 8.270 nan 0.000 0.477 118 A N 1.752 124.592 122.820 0.034 0.000 2.444 118 A HA 0.562 4.859 4.320 -0.037 0.000 0.273 118 A C -0.198 177.401 177.584 0.025 0.000 1.136 118 A CA 0.059 52.114 52.037 0.030 0.000 0.799 118 A CB 0.173 19.202 19.000 0.048 0.000 1.081 118 A HN 0.286 nan 8.150 nan 0.000 0.509 119 A N 3.049 125.882 122.820 0.021 0.000 2.573 119 A HA 0.579 4.876 4.320 -0.037 0.000 0.299 119 A C -1.145 176.448 177.584 0.014 0.000 1.060 119 A CA -0.494 51.554 52.037 0.019 0.000 0.736 119 A CB 0.580 19.593 19.000 0.022 0.000 1.280 119 A HN 0.778 nan 8.150 nan 0.000 0.401 120 L N 2.871 124.096 121.223 0.003 0.000 2.334 120 L HA 0.628 4.946 4.340 -0.037 0.000 0.276 120 L C -2.060 174.794 176.870 -0.027 0.000 1.014 120 L CA -1.971 52.859 54.840 -0.018 0.000 0.815 120 L CB 1.981 44.023 42.059 -0.029 0.000 1.268 120 L HN 0.556 nan 8.230 nan 0.000 0.428 121 P HA 0.189 nan 4.420 nan 0.000 0.278 121 P C 0.452 177.711 177.300 -0.068 0.000 1.238 121 P CA -0.568 62.520 63.100 -0.020 0.000 0.794 121 P CB 1.250 32.973 31.700 0.039 0.000 0.955 122 S N 1.729 117.436 115.700 0.012 0.000 2.387 122 S HA -0.294 4.153 4.470 -0.037 0.000 0.230 122 S C 1.746 176.346 174.600 -0.000 0.000 1.035 122 S CA 1.756 59.958 58.200 0.004 0.000 1.014 122 S CB -1.601 61.616 63.200 0.029 0.000 0.836 122 S HN 0.781 nan 8.310 nan 0.000 0.466 123 H N 0.997 120.046 119.070 -0.035 0.000 2.387 123 H HA 0.071 4.603 4.556 -0.040 0.000 0.299 123 H C 1.780 177.073 175.328 -0.058 0.000 1.090 123 H CA 1.290 57.310 56.048 -0.047 0.000 1.332 123 H CB -0.673 29.064 29.762 -0.043 0.000 1.386 123 H HN 0.240 nan 8.280 nan 0.000 0.516 124 V N 0.894 120.458 119.914 -0.584 0.000 2.427 124 V HA -0.208 3.890 4.120 -0.037 0.000 0.248 124 V C 2.606 178.581 176.094 -0.197 0.000 1.051 124 V CA 1.343 63.408 62.300 -0.391 0.000 1.048 124 V CB -0.376 31.217 31.823 -0.383 0.000 0.666 124 V HN 0.390 nan 8.190 nan 0.000 0.456 125 V N 0.012 119.838 119.914 -0.146 0.000 2.343 125 V HA -0.280 3.817 4.120 -0.037 0.000 0.247 125 V C 2.596 178.631 176.094 -0.098 0.000 1.051 125 V CA 2.647 64.894 62.300 -0.088 0.000 1.036 125 V CB -1.034 30.757 31.823 -0.053 0.000 0.654 125 V HN 0.598 nan 8.190 nan 0.000 0.451 126 T N -0.366 114.130 114.554 -0.097 0.000 2.720 126 T HA -0.270 4.057 4.350 -0.037 0.000 0.268 126 T C 1.849 176.445 174.700 -0.173 0.000 1.037 126 T CA 2.089 64.131 62.100 -0.097 0.000 1.144 126 T CB -0.290 68.543 68.868 -0.058 0.000 0.864 126 T HN 0.372 nan 8.240 nan 0.000 0.444 127 M N 0.394 119.852 119.600 -0.236 0.000 2.080 127 M HA -0.068 4.390 4.480 -0.037 0.000 0.260 127 M C 1.999 177.860 176.300 -0.733 0.000 1.068 127 M CA 1.663 56.690 55.300 -0.456 0.000 1.109 127 M CB -0.275 32.090 32.600 -0.391 0.000 1.342 127 M HN 0.237 nan 8.290 nan 0.000 0.405 128 L N -0.117 120.859 121.223 -0.412 0.000 2.056 128 L HA -0.231 4.086 4.340 -0.037 0.000 0.207 128 L C 1.729 178.543 176.870 -0.093 0.000 1.078 128 L CA 1.145 55.864 54.840 -0.201 0.000 0.749 128 L CB -0.822 41.243 42.059 0.011 0.000 0.901 128 L HN 0.248 nan 8.230 nan 0.000 0.433 129 D N -0.299 120.038 120.400 -0.105 0.000 2.310 129 D HA -0.125 4.492 4.640 -0.037 0.000 0.212 129 D C 1.516 177.783 176.300 -0.056 0.000 0.965 129 D CA 0.931 54.900 54.000 -0.053 0.000 0.879 129 D CB -0.244 40.528 40.800 -0.046 0.000 0.921 129 D HN 0.406 nan 8.370 nan 0.000 0.510 130 N N -1.088 117.534 118.700 -0.129 0.000 2.282 130 N HA 0.044 4.762 4.740 -0.037 0.000 0.185 130 N C -0.164 175.357 175.510 0.018 0.000 1.099 130 N CA -0.316 52.687 53.050 -0.079 0.000 0.878 130 N CB 0.348 38.769 38.487 -0.110 0.000 0.993 130 N HN -0.064 nan 8.380 nan 0.000 0.481 131 F N 2.431 122.378 119.950 -0.005 0.000 2.553 131 F HA 0.135 4.639 4.527 -0.038 0.000 0.356 131 F C -1.486 174.305 175.800 -0.014 0.000 1.142 131 F CA -2.662 55.335 58.000 -0.005 0.000 1.322 131 F CB -0.134 38.863 39.000 -0.004 0.000 1.126 131 F HN -0.003 nan 8.300 nan 0.000 0.599 132 P HA 0.137 nan 4.420 nan 0.000 0.277 132 P C 0.551 177.872 177.300 0.034 0.000 1.240 132 P CA -0.263 62.890 63.100 0.088 0.000 0.798 132 P CB 0.588 32.326 31.700 0.062 0.000 0.979 133 T N -1.775 112.781 114.554 0.002 0.000 2.881 133 T HA -0.164 4.163 4.350 -0.037 0.000 0.270 133 T C 1.203 175.880 174.700 -0.038 0.000 1.068 133 T CA 1.188 63.264 62.100 -0.040 0.000 1.131 133 T CB -0.934 67.904 68.868 -0.050 0.000 0.871 133 T HN 0.511 nan 8.240 nan 0.000 0.479 134 N N 0.956 119.647 118.700 -0.015 0.000 2.461 134 N HA 0.028 4.746 4.740 -0.037 0.000 0.188 134 N C 0.324 175.827 175.510 -0.012 0.000 1.134 134 N CA -0.155 52.892 53.050 -0.005 0.000 0.878 134 N CB -0.445 38.047 38.487 0.009 0.000 0.972 134 N HN 0.421 nan 8.380 nan 0.000 0.456 135 L N 1.915 123.109 121.223 -0.048 0.000 2.281 135 L HA 0.244 4.562 4.340 -0.037 0.000 0.285 135 L C -0.017 176.810 176.870 -0.071 0.000 1.074 135 L CA -0.718 54.067 54.840 -0.091 0.000 0.817 135 L CB 0.173 42.096 42.059 -0.227 0.000 1.168 135 L HN 0.161 nan 8.230 nan 0.000 0.434 136 H N 6.811 125.822 119.070 -0.099 0.000 2.972 136 H HA 0.060 4.595 4.556 -0.035 0.000 0.343 136 H C -1.728 173.555 175.328 -0.075 0.000 1.054 136 H CA -0.107 55.906 56.048 -0.058 0.000 1.412 136 H CB 0.898 30.634 29.762 -0.044 0.000 1.385 136 H HN 0.557 nan 8.280 nan 0.000 0.600 137 P HA -0.254 nan 4.420 nan 0.000 0.216 137 P C 1.477 178.808 177.300 0.052 0.000 1.153 137 P CA 1.420 64.469 63.100 -0.085 0.000 0.858 137 P CB 0.175 31.821 31.700 -0.090 0.000 0.789 138 M N -1.086 118.692 119.600 0.296 0.000 2.229 138 M HA -0.071 4.386 4.480 -0.037 0.000 0.264 138 M C 1.976 178.303 176.300 0.046 0.000 1.063 138 M CA 1.639 57.028 55.300 0.149 0.000 1.114 138 M CB -1.615 31.065 32.600 0.133 0.000 1.387 138 M HN -0.085 nan 8.290 nan 0.000 0.420 139 S N 0.259 115.986 115.700 0.045 0.000 2.371 139 S HA -0.112 4.336 4.470 -0.037 0.000 0.224 139 S C 1.824 176.337 174.600 -0.146 0.000 1.029 139 S CA 0.894 59.056 58.200 -0.063 0.000 0.978 139 S CB -0.216 62.934 63.200 -0.084 0.000 0.833 139 S HN 0.540 nan 8.310 nan 0.000 0.466 140 Q N 0.435 120.102 119.800 -0.222 0.000 2.124 140 Q HA -0.077 4.240 4.340 -0.037 0.000 0.202 140 Q C 2.229 178.259 176.000 0.051 0.000 0.977 140 Q CA 0.961 56.593 55.803 -0.284 0.000 0.850 140 Q CB -0.398 28.212 28.738 -0.213 0.000 0.901 140 Q HN 0.373 nan 8.270 nan 0.000 0.429 141 L N 0.350 121.602 121.223 0.048 0.000 2.005 141 L HA -0.157 4.161 4.340 -0.037 0.000 0.207 141 L C 2.443 179.368 176.870 0.092 0.000 1.072 141 L CA 1.905 56.798 54.840 0.088 0.000 0.744 141 L CB -0.837 41.254 42.059 0.054 0.000 0.895 141 L HN 0.037 nan 8.230 nan 0.000 0.433 142 S N -0.857 114.865 115.700 0.038 0.000 2.359 142 S HA -0.225 4.222 4.470 -0.037 0.000 0.224 142 S C 2.126 176.776 174.600 0.083 0.000 1.035 142 S CA 1.376 59.592 58.200 0.027 0.000 1.018 142 S CB -0.567 62.618 63.200 -0.024 0.000 0.876 142 S HN 0.676 nan 8.310 nan 0.000 0.448 143 A N 1.332 124.212 122.820 0.100 0.000 1.883 143 A HA 0.079 4.377 4.320 -0.037 0.000 0.217 143 A C 2.448 180.153 177.584 0.201 0.000 1.186 143 A CA 2.057 54.198 52.037 0.172 0.000 0.624 143 A CB -1.417 17.752 19.000 0.281 0.000 0.822 143 A HN 0.729 nan 8.150 nan 0.000 0.444 144 A N -0.254 122.703 122.820 0.228 0.000 1.940 144 A HA -0.102 4.195 4.320 -0.037 0.000 0.219 144 A C 2.106 179.778 177.584 0.148 0.000 1.176 144 A CA 1.612 53.752 52.037 0.171 0.000 0.631 144 A CB -0.629 18.474 19.000 0.172 0.000 0.814 144 A HN 0.516 nan 8.150 nan 0.000 0.446 145 I N -0.710 119.972 120.570 0.186 0.000 2.315 145 I HA -0.196 3.952 4.170 -0.037 0.000 0.248 145 I C 2.555 178.826 176.117 0.257 0.000 1.117 145 I CA 1.596 63.052 61.300 0.261 0.000 1.404 145 I CB -0.475 37.712 38.000 0.311 0.000 1.071 145 I HN 0.234 nan 8.210 nan 0.000 0.419 146 T N 0.691 115.354 114.554 0.182 0.000 2.708 146 T HA -0.140 4.187 4.350 -0.037 0.000 0.266 146 T C 2.059 176.830 174.700 0.118 0.000 1.037 146 T CA 1.482 63.670 62.100 0.146 0.000 1.146 146 T CB -0.317 68.618 68.868 0.111 0.000 0.865 146 T HN 0.465 nan 8.240 nan 0.000 0.435 147 A N 0.903 123.794 122.820 0.119 0.000 2.076 147 A HA 0.038 4.335 4.320 -0.037 0.000 0.220 147 A C 2.138 179.799 177.584 0.128 0.000 1.160 147 A CA 1.065 53.180 52.037 0.130 0.000 0.653 147 A CB -0.776 18.286 19.000 0.104 0.000 0.801 147 A HN 0.509 nan 8.150 nan 0.000 0.455 148 L N -0.275 120.967 121.223 0.032 0.000 2.478 148 L HA -0.095 4.223 4.340 -0.037 0.000 0.223 148 L C 2.103 178.724 176.870 -0.415 0.000 1.140 148 L CA 0.936 55.698 54.840 -0.130 0.000 0.842 148 L CB -0.535 41.486 42.059 -0.063 0.000 0.953 148 L HN 0.744 nan 8.230 nan 0.000 0.452 149 N N -0.467 118.082 118.700 -0.252 0.000 2.519 149 N HA -0.208 4.509 4.740 -0.037 0.000 0.186 149 N C 1.761 177.157 175.510 -0.190 0.000 1.062 149 N CA 1.004 53.885 53.050 -0.281 0.000 0.910 149 N CB 0.023 38.506 38.487 -0.005 0.000 0.958 149 N HN 0.266 nan 8.380 nan 0.000 0.445 150 S N -0.581 115.054 115.700 -0.109 0.000 2.469 150 S HA -0.065 4.382 4.470 -0.037 0.000 0.238 150 S C 1.132 175.676 174.600 -0.093 0.000 0.998 150 S CA 0.593 58.742 58.200 -0.084 0.000 0.957 150 S CB -0.036 63.108 63.200 -0.094 0.000 0.764 150 S HN 0.390 nan 8.310 nan 0.000 0.514 151 E N 1.535 121.634 120.200 -0.168 0.000 2.474 151 E HA 0.209 4.537 4.350 -0.037 0.000 0.195 151 E C 0.432 176.975 176.600 -0.095 0.000 1.039 151 E CA -0.012 56.314 56.400 -0.123 0.000 0.881 151 E CB -0.033 29.590 29.700 -0.128 0.000 0.970 151 E HN 0.473 nan 8.360 nan 0.000 0.486 152 S N 1.413 117.032 115.700 -0.135 0.000 2.575 152 S HA -0.018 4.430 4.470 -0.037 0.000 0.295 152 S C 0.952 175.639 174.600 0.145 0.000 1.267 152 S CA 0.043 58.296 58.200 0.089 0.000 1.074 152 S CB 0.104 63.402 63.200 0.164 0.000 0.829 152 S HN 0.198 nan 8.310 nan 0.000 0.497 153 N N 3.410 122.257 118.700 0.245 0.000 2.290 153 N HA -0.020 4.698 4.740 -0.037 0.000 0.179 153 N C 1.319 176.964 175.510 0.226 0.000 1.016 153 N CA 0.826 54.023 53.050 0.246 0.000 0.871 153 N CB -0.166 38.513 38.487 0.319 0.000 0.987 153 N HN 0.728 nan 8.380 nan 0.000 0.431 154 F N 2.489 122.547 119.950 0.180 0.000 2.113 154 F HA -0.018 4.489 4.527 -0.034 0.000 0.297 154 F C 2.392 178.203 175.800 0.018 0.000 1.103 154 F CA 1.101 59.166 58.000 0.110 0.000 1.248 154 F CB -0.347 38.735 39.000 0.137 0.000 0.999 154 F HN -0.056 nan 8.300 nan 0.000 0.475 155 A N 0.810 123.675 122.820 0.074 0.000 1.892 155 A HA -0.265 4.033 4.320 -0.037 0.000 0.218 155 A C 2.425 179.937 177.584 -0.120 0.000 1.188 155 A CA 2.003 54.022 52.037 -0.029 0.000 0.631 155 A CB -0.994 18.043 19.000 0.061 0.000 0.822 155 A HN 0.493 nan 8.150 nan 0.000 0.447 156 R N -0.541 119.900 120.500 -0.098 0.000 2.081 156 R HA -0.090 4.227 4.340 -0.037 0.000 0.235 156 R C 2.267 178.427 176.300 -0.234 0.000 1.131 156 R CA 1.443 57.472 56.100 -0.118 0.000 0.960 156 R CB -0.383 29.883 30.300 -0.058 0.000 0.856 156 R HN 0.450 nan 8.270 nan 0.000 0.436 157 A N -0.286 122.283 122.820 -0.418 0.000 2.014 157 A HA -0.177 4.121 4.320 -0.037 0.000 0.218 157 A C 1.910 179.186 177.584 -0.513 0.000 1.163 157 A CA 0.933 52.593 52.037 -0.629 0.000 0.652 157 A CB -0.654 17.500 19.000 -1.410 0.000 0.808 157 A HN 0.596 nan 8.150 nan 0.000 0.449 158 Y N 0.625 120.542 120.300 -0.639 0.000 2.163 158 Y HA -0.065 4.468 4.550 -0.027 0.000 0.288 158 Y C 2.591 178.328 175.900 -0.271 0.000 1.136 158 Y CA 1.327 59.130 58.100 -0.496 0.000 1.147 158 Y CB -0.443 37.645 38.460 -0.621 0.000 0.987 158 Y HN 0.291 nan 8.280 nan 0.000 0.509 159 A N -0.216 122.538 122.820 -0.110 0.000 2.070 159 A HA -0.192 4.105 4.320 -0.037 0.000 0.220 159 A C 1.884 179.358 177.584 -0.184 0.000 1.159 159 A CA 1.855 53.833 52.037 -0.098 0.000 0.656 159 A CB -0.620 18.357 19.000 -0.037 0.000 0.800 159 A HN 0.590 nan 8.150 nan 0.000 0.453 160 E N -1.730 118.334 120.200 -0.226 0.000 2.489 160 E HA 0.287 4.615 4.350 -0.037 0.000 0.193 160 E C 1.079 177.550 176.600 -0.216 0.000 1.057 160 E CA 0.647 56.931 56.400 -0.193 0.000 0.866 160 E CB -0.007 29.590 29.700 -0.172 0.000 0.916 160 E HN 0.713 nan 8.360 nan 0.000 0.500 161 G N 0.938 109.552 108.800 -0.309 0.000 2.132 161 G HA2 -0.283 3.655 3.960 -0.037 0.000 0.234 161 G HA3 -0.283 3.655 3.960 -0.037 0.000 0.234 161 G C 0.180 174.939 174.900 -0.236 0.000 0.989 161 G CA -0.038 44.889 45.100 -0.289 0.000 0.676 161 G HN 0.233 nan 8.290 nan 0.000 0.522 162 I N 1.411 121.831 120.570 -0.250 0.000 2.948 162 I HA 0.076 4.223 4.170 -0.037 0.000 0.303 162 I C 0.935 176.986 176.117 -0.111 0.000 1.224 162 I CA -0.748 60.455 61.300 -0.162 0.000 1.442 162 I CB 0.356 38.224 38.000 -0.221 0.000 1.328 162 I HN 0.336 nan 8.210 nan 0.000 0.578 163 N N 5.905 124.546 118.700 -0.099 0.000 2.454 163 N HA -0.032 4.686 4.740 -0.037 0.000 0.254 163 N C 1.115 176.456 175.510 -0.283 0.000 1.228 163 N CA 0.085 53.056 53.050 -0.131 0.000 0.900 163 N CB 0.719 39.154 38.487 -0.086 0.000 1.089 163 N HN 0.624 nan 8.380 nan 0.000 0.449 164 R N 0.931 121.178 120.500 -0.422 0.000 2.159 164 R HA -0.151 4.167 4.340 -0.037 0.000 0.237 164 R C 1.694 177.576 176.300 -0.696 0.000 1.131 164 R CA 2.044 57.529 56.100 -1.025 0.000 0.982 164 R CB -1.112 28.848 30.300 -0.567 0.000 0.868 164 R HN 0.664 nan 8.270 nan 0.000 0.453 165 T N -1.151 113.247 114.554 -0.260 0.000 2.929 165 T HA -0.058 4.270 4.350 -0.037 0.000 0.271 165 T C 1.479 176.185 174.700 0.009 0.000 1.085 165 T CA 1.121 63.182 62.100 -0.065 0.000 1.125 165 T CB -0.091 68.776 68.868 -0.002 0.000 0.874 165 T HN 0.385 nan 8.240 nan 0.000 0.494 166 K N -0.608 119.764 120.400 -0.046 0.000 2.387 166 K HA 0.177 4.475 4.320 -0.037 0.000 0.198 166 K C 1.097 177.821 176.600 0.207 0.000 1.022 166 K CA -0.264 56.032 56.287 0.015 0.000 1.128 166 K CB 0.026 32.592 32.500 0.110 0.000 0.853 166 K HN 0.292 nan 8.250 nan 0.000 0.523 167 Y N 1.468 121.926 120.300 0.262 0.000 2.081 167 Y HA -0.329 4.203 4.550 -0.031 0.000 0.280 167 Y C 2.210 178.312 175.900 0.338 0.000 1.163 167 Y CA 0.957 59.332 58.100 0.458 0.000 1.135 167 Y CB -1.213 37.534 38.460 0.479 0.000 0.970 167 Y HN 0.376 nan 8.280 nan 0.000 0.498 168 W N 1.577 123.060 121.300 0.306 0.000 2.308 168 W HA -0.245 4.390 4.660 -0.041 0.000 0.301 168 W C 1.257 177.828 176.519 0.087 0.000 1.220 168 W CA 1.714 59.115 57.345 0.094 0.000 1.240 168 W CB -0.986 28.421 29.460 -0.089 0.000 1.142 168 W HN 0.260 nan 8.180 nan 0.000 0.521 169 E N 0.304 119.944 120.200 -0.933 0.000 2.110 169 E HA -0.173 4.155 4.350 -0.037 0.000 0.193 169 E C 1.910 178.181 176.600 -0.549 0.000 0.988 169 E CA 1.775 57.496 56.400 -1.131 0.000 0.804 169 E CB -0.680 28.185 29.700 -1.392 0.000 0.745 169 E HN 0.344 nan 8.360 nan 0.000 0.458 170 F N 0.009 119.975 119.950 0.026 0.000 2.473 170 F HA -0.041 4.463 4.527 -0.040 0.000 0.294 170 F C 2.234 178.186 175.800 0.254 0.000 1.103 170 F CA 0.223 58.347 58.000 0.207 0.000 1.442 170 F CB -0.409 38.764 39.000 0.288 0.000 1.097 170 F HN -0.168 nan 8.300 nan 0.000 0.547 171 V N -0.314 119.807 119.914 0.346 0.000 2.358 171 V HA -0.325 3.772 4.120 -0.037 0.000 0.246 171 V C 2.202 178.389 176.094 0.154 0.000 1.047 171 V CA 1.901 64.286 62.300 0.141 0.000 1.035 171 V CB -0.855 30.985 31.823 0.028 0.000 0.658 171 V HN 0.422 nan 8.190 nan 0.000 0.452 172 Y N 1.445 121.802 120.300 0.095 0.000 2.114 172 Y HA -0.266 4.263 4.550 -0.037 0.000 0.282 172 Y C 2.624 178.576 175.900 0.087 0.000 1.165 172 Y CA 2.179 60.345 58.100 0.110 0.000 1.148 172 Y CB -0.162 38.386 38.460 0.146 0.000 0.972 172 Y HN 0.259 nan 8.280 nan 0.000 0.504 173 E N 0.221 120.528 120.200 0.177 0.000 2.077 173 E HA -0.204 4.124 4.350 -0.037 0.000 0.193 173 E C 1.851 178.462 176.600 0.017 0.000 0.989 173 E CA 1.513 57.963 56.400 0.084 0.000 0.800 173 E CB -0.424 29.372 29.700 0.161 0.000 0.746 173 E HN 0.623 nan 8.360 nan 0.000 0.452 174 D N 0.512 120.961 120.400 0.081 0.000 2.144 174 D HA -0.052 4.566 4.640 -0.037 0.000 0.200 174 D C 1.854 178.044 176.300 -0.183 0.000 0.978 174 D CA 1.187 55.219 54.000 0.053 0.000 0.833 174 D CB -0.135 40.766 40.800 0.167 0.000 0.961 174 D HN 0.121 nan 8.370 nan 0.000 0.470 175 A N 1.153 123.865 122.820 -0.179 0.000 1.877 175 A HA -0.175 4.123 4.320 -0.037 0.000 0.216 175 A C 2.198 179.570 177.584 -0.354 0.000 1.186 175 A CA 1.371 53.255 52.037 -0.254 0.000 0.620 175 A CB -0.417 18.514 19.000 -0.115 0.000 0.822 175 A HN 0.095 nan 8.150 nan 0.000 0.443 176 M N -0.216 119.187 119.600 -0.328 0.000 2.117 176 M HA -0.128 4.330 4.480 -0.037 0.000 0.262 176 M C 1.472 177.598 176.300 -0.289 0.000 1.065 176 M CA 1.478 56.596 55.300 -0.304 0.000 1.114 176 M CB -1.444 30.987 32.600 -0.282 0.000 1.361 176 M HN 0.341 nan 8.290 nan 0.000 0.408 177 D N 0.548 120.837 120.400 -0.184 0.000 2.117 177 D HA -0.115 4.503 4.640 -0.037 0.000 0.197 177 D C 2.004 178.198 176.300 -0.177 0.000 0.987 177 D CA 0.848 54.789 54.000 -0.100 0.000 0.829 177 D CB -0.329 40.504 40.800 0.056 0.000 0.961 177 D HN 0.184 nan 8.370 nan 0.000 0.460 178 L N 0.849 121.874 121.223 -0.330 0.000 2.027 178 L HA -0.049 4.269 4.340 -0.037 0.000 0.206 178 L C 2.068 178.650 176.870 -0.479 0.000 1.074 178 L CA 1.298 55.867 54.840 -0.453 0.000 0.745 178 L CB -0.736 40.855 42.059 -0.779 0.000 0.898 178 L HN -0.031 nan 8.230 nan 0.000 0.433 179 I N -0.086 120.084 120.570 -0.666 0.000 2.208 179 I HA -0.303 3.845 4.170 -0.037 0.000 0.245 179 I C 2.576 178.251 176.117 -0.736 0.000 1.097 179 I CA 1.310 62.061 61.300 -0.916 0.000 1.363 179 I CB -0.625 36.394 38.000 -1.635 0.000 1.051 179 I HN 0.358 nan 8.210 nan 0.000 0.413 180 A N 0.635 123.077 122.820 -0.630 0.000 1.933 180 A HA -0.204 4.093 4.320 -0.037 0.000 0.218 180 A C 2.253 179.790 177.584 -0.078 0.000 1.175 180 A CA 1.624 53.510 52.037 -0.252 0.000 0.628 180 A CB -0.359 18.571 19.000 -0.116 0.000 0.814 180 A HN 0.375 nan 8.150 nan 0.000 0.444 181 K N -0.475 119.855 120.400 -0.116 0.000 2.305 181 K HA 0.243 4.541 4.320 -0.037 0.000 0.199 181 K C 1.637 178.190 176.600 -0.079 0.000 1.047 181 K CA 0.298 56.552 56.287 -0.055 0.000 0.976 181 K CB -0.220 32.280 32.500 0.001 0.000 0.765 181 K HN 0.378 nan 8.250 nan 0.000 0.474 182 L N 1.397 122.542 121.223 -0.130 0.000 2.010 182 L HA -0.230 4.088 4.340 -0.037 0.000 0.219 182 L C -0.834 175.880 176.870 -0.260 0.000 1.077 182 L CA 1.863 56.613 54.840 -0.150 0.000 0.773 182 L CB -1.148 40.810 42.059 -0.168 0.000 0.892 182 L HN 0.138 nan 8.230 nan 0.000 0.436 183 P HA -0.113 nan 4.420 nan 0.000 0.218 183 P C 1.670 178.789 177.300 -0.302 0.000 1.149 183 P CA 1.375 63.980 63.100 -0.825 0.000 0.817 183 P CB -0.196 30.881 31.700 -1.039 0.000 0.785 184 C N -1.398 117.823 119.300 -0.132 0.000 2.457 184 C HA -0.028 4.410 4.460 -0.037 0.000 0.278 184 C C 2.825 177.837 174.990 0.037 0.000 1.309 184 C CA 0.412 59.425 59.018 -0.009 0.000 1.735 184 C CB -1.442 26.297 27.740 -0.001 0.000 1.992 184 C HN 0.100 nan 8.230 nan 0.000 0.493 185 V N 1.614 121.538 119.914 0.017 0.000 2.244 185 V HA -0.199 3.899 4.120 -0.037 0.000 0.244 185 V C 2.795 178.967 176.094 0.130 0.000 1.042 185 V CA 2.308 64.648 62.300 0.068 0.000 1.006 185 V CB -1.372 30.491 31.823 0.067 0.000 0.641 185 V HN 0.558 nan 8.190 nan 0.000 0.446 186 A N 0.023 122.910 122.820 0.110 0.000 1.917 186 A HA -0.213 4.085 4.320 -0.037 0.000 0.219 186 A C 2.370 180.231 177.584 0.461 0.000 1.182 186 A CA 2.502 54.692 52.037 0.255 0.000 0.633 186 A CB -0.864 18.234 19.000 0.164 0.000 0.819 186 A HN 0.619 nan 8.150 nan 0.000 0.448 187 A N -0.631 122.426 122.820 0.394 0.000 1.968 187 A HA -0.085 4.213 4.320 -0.037 0.000 0.217 187 A C 2.073 179.833 177.584 0.293 0.000 1.169 187 A CA 1.906 54.181 52.037 0.398 0.000 0.638 187 A CB -0.378 18.832 19.000 0.349 0.000 0.812 187 A HN 0.567 nan 8.150 nan 0.000 0.446 188 K N -0.039 120.488 120.400 0.212 0.000 2.097 188 K HA -0.037 4.261 4.320 -0.037 0.000 0.206 188 K C 1.652 178.350 176.600 0.163 0.000 1.049 188 K CA 1.382 57.761 56.287 0.153 0.000 0.933 188 K CB -0.309 32.252 32.500 0.102 0.000 0.717 188 K HN 0.508 nan 8.250 nan 0.000 0.442 189 I N -0.038 120.670 120.570 0.230 0.000 2.202 189 I HA -0.274 3.873 4.170 -0.037 0.000 0.242 189 I C 2.104 178.321 176.117 0.166 0.000 1.091 189 I CA 1.176 62.607 61.300 0.218 0.000 1.368 189 I CB -0.357 37.824 38.000 0.303 0.000 1.058 189 I HN 0.221 nan 8.210 nan 0.000 0.410 190 Y N 1.943 122.344 120.300 0.168 0.000 2.128 190 Y HA -0.257 4.269 4.550 -0.039 0.000 0.284 190 Y C 2.778 178.662 175.900 -0.027 0.000 1.154 190 Y CA 1.683 59.765 58.100 -0.030 0.000 1.149 190 Y CB -0.098 38.224 38.460 -0.228 0.000 0.976 190 Y HN -0.023 nan 8.280 nan 0.000 0.505 191 R N 0.047 120.622 120.500 0.126 0.000 2.090 191 R HA -0.126 4.192 4.340 -0.037 0.000 0.228 191 R C 1.922 178.185 176.300 -0.061 0.000 1.110 191 R CA 1.532 57.659 56.100 0.046 0.000 0.973 191 R CB -0.786 29.574 30.300 0.100 0.000 0.869 191 R HN 0.562 nan 8.270 nan 0.000 0.440 192 N N 0.234 118.898 118.700 -0.060 0.000 2.244 192 N HA -0.127 4.591 4.740 -0.037 0.000 0.183 192 N C 1.470 176.864 175.510 -0.192 0.000 1.016 192 N CA 0.465 53.466 53.050 -0.081 0.000 0.866 192 N CB 0.083 38.556 38.487 -0.023 0.000 0.980 192 N HN -0.020 nan 8.380 nan 0.000 0.430 193 L N -0.548 120.441 121.223 -0.389 0.000 2.168 193 L HA 0.009 4.326 4.340 -0.037 0.000 0.203 193 L C 0.855 177.283 176.870 -0.736 0.000 1.078 193 L CA 1.605 56.030 54.840 -0.692 0.000 0.780 193 L CB -0.465 40.860 42.059 -1.222 0.000 0.939 193 L HN 0.206 nan 8.230 nan 0.000 0.451 194 Y N -1.422 118.699 120.300 -0.298 0.000 2.430 194 Y HA 0.309 4.836 4.550 -0.039 0.000 0.248 194 Y C 0.921 176.679 175.900 -0.237 0.000 1.108 194 Y CA -0.363 57.534 58.100 -0.338 0.000 1.264 194 Y CB 0.268 38.339 38.460 -0.648 0.000 1.172 194 Y HN -0.059 nan 8.280 nan 0.000 0.520 195 R N 0.482 120.940 120.500 -0.069 0.000 2.688 195 R HA 0.460 4.777 4.340 -0.037 0.000 0.396 195 R C -0.045 176.236 176.300 -0.030 0.000 1.081 195 R CA -0.283 55.799 56.100 -0.031 0.000 1.093 195 R CB 0.241 30.542 30.300 0.002 0.000 1.338 195 R HN 0.079 nan 8.270 nan 0.000 0.613 196 A N 0.556 123.348 122.820 -0.046 0.000 2.583 196 A HA 0.299 4.597 4.320 -0.037 0.000 0.249 196 A C 1.416 178.986 177.584 -0.024 0.000 1.035 196 A CA 1.623 53.636 52.037 -0.040 0.000 0.777 196 A CB -0.343 18.629 19.000 -0.046 0.000 0.942 196 A HN 0.801 nan 8.150 nan 0.000 0.516 197 G N 1.362 110.152 108.800 -0.017 0.000 2.218 197 G HA2 -0.104 3.833 3.960 -0.037 0.000 0.216 197 G HA3 -0.104 3.833 3.960 -0.037 0.000 0.216 197 G C 0.570 175.466 174.900 -0.006 0.000 0.994 197 G CA 0.711 45.804 45.100 -0.011 0.000 0.637 197 G HN 2.224 nan 8.290 nan 0.000 0.505 198 S N -0.525 115.173 115.700 -0.004 0.000 2.713 198 S HA 0.817 5.265 4.470 -0.037 0.000 0.283 198 S C 0.052 174.660 174.600 0.013 0.000 1.161 198 S CA 0.583 58.785 58.200 0.003 0.000 0.999 198 S CB 2.197 65.398 63.200 0.002 0.000 1.039 198 S HN 1.421 nan 8.310 nan 0.000 0.548 199 S N -0.415 115.296 115.700 0.018 0.000 2.568 199 S HA 0.462 4.909 4.470 -0.037 0.000 0.302 199 S C 0.987 175.611 174.600 0.039 0.000 1.082 199 S CA -0.859 57.357 58.200 0.026 0.000 1.009 199 S CB 0.586 63.797 63.200 0.018 0.000 1.069 199 S HN 0.845 nan 8.310 nan 0.000 0.500 200 I N 1.468 122.069 120.570 0.051 0.000 3.059 200 I HA 0.410 4.558 4.170 -0.037 0.000 0.270 200 I C 1.221 177.369 176.117 0.051 0.000 1.238 200 I CA 0.358 61.698 61.300 0.066 0.000 1.478 200 I CB -1.185 36.867 38.000 0.086 0.000 1.097 200 I HN 0.869 nan 8.210 nan 0.000 0.455 201 G N 1.399 110.221 108.800 0.036 0.000 2.593 201 G HA2 -0.025 3.913 3.960 -0.037 0.000 0.237 201 G HA3 -0.025 3.913 3.960 -0.037 0.000 0.237 201 G C -0.300 174.615 174.900 0.025 0.000 1.312 201 G CA -0.170 44.946 45.100 0.026 0.000 0.896 201 G HN 0.965 nan 8.290 nan 0.000 0.574 202 A N -1.022 121.809 122.820 0.018 0.000 2.330 202 A HA 0.829 5.126 4.320 -0.037 0.000 0.329 202 A C -0.086 177.506 177.584 0.013 0.000 1.135 202 A CA -0.397 51.649 52.037 0.015 0.000 0.817 202 A CB 1.189 20.195 19.000 0.009 0.000 1.269 202 A HN 1.277 nan 8.150 nan 0.000 0.469 203 I N 1.286 121.865 120.570 0.015 0.000 2.474 203 I HA 0.146 4.294 4.170 -0.037 0.000 0.287 203 I C -0.021 176.097 176.117 0.001 0.000 1.048 203 I CA 0.264 61.573 61.300 0.015 0.000 1.383 203 I CB 1.043 39.062 38.000 0.032 0.000 1.412 203 I HN 0.542 nan 8.210 nan 0.000 0.531 204 D N 4.376 124.767 120.400 -0.015 0.000 2.412 204 D HA 0.125 4.743 4.640 -0.037 0.000 0.224 204 D C 0.777 177.067 176.300 -0.017 0.000 1.093 204 D CA -0.154 53.829 54.000 -0.030 0.000 0.850 204 D CB 1.181 41.938 40.800 -0.073 0.000 1.046 204 D HN 0.577 nan 8.370 nan 0.000 0.507 205 S N 3.353 119.049 115.700 -0.008 0.000 2.528 205 S HA -0.116 4.332 4.470 -0.037 0.000 0.244 205 S C 1.403 175.996 174.600 -0.011 0.000 0.982 205 S CA 0.481 58.678 58.200 -0.006 0.000 0.953 205 S CB 0.246 63.442 63.200 -0.007 0.000 0.754 205 S HN 0.363 nan 8.310 nan 0.000 0.529 206 K N 0.679 121.069 120.400 -0.018 0.000 2.379 206 K HA 0.370 4.668 4.320 -0.037 0.000 0.194 206 K C 0.565 177.156 176.600 -0.015 0.000 1.031 206 K CA 0.124 56.401 56.287 -0.016 0.000 1.037 206 K CB -0.126 32.365 32.500 -0.016 0.000 0.824 206 K HN 0.441 nan 8.250 nan 0.000 0.516 207 L N 1.760 122.964 121.223 -0.031 0.000 2.365 207 L HA 0.248 4.566 4.340 -0.037 0.000 0.267 207 L C 0.599 177.506 176.870 0.062 0.000 1.033 207 L CA -1.149 53.679 54.840 -0.019 0.000 0.802 207 L CB 0.622 42.576 42.059 -0.175 0.000 1.267 207 L HN 0.076 nan 8.230 nan 0.000 0.457 208 D N -1.017 119.460 120.400 0.128 0.000 2.377 208 D HA -0.083 4.535 4.640 -0.037 0.000 0.245 208 D C 0.588 177.055 176.300 0.279 0.000 1.196 208 D CA -0.508 53.604 54.000 0.187 0.000 0.962 208 D CB 1.166 42.075 40.800 0.181 0.000 1.127 208 D HN 0.643 nan 8.370 nan 0.000 0.471 209 W N 1.430 122.810 121.300 0.132 0.000 2.333 209 W HA -0.228 4.407 4.660 -0.042 0.000 0.316 209 W C 2.438 179.063 176.519 0.178 0.000 1.215 209 W CA 2.287 59.736 57.345 0.174 0.000 1.278 209 W CB -0.639 29.007 29.460 0.310 0.000 1.154 209 W HN 0.388 nan 8.180 nan 0.000 0.486 210 S N -1.489 114.344 115.700 0.223 0.000 2.370 210 S HA -0.333 4.114 4.470 -0.037 0.000 0.226 210 S C 1.687 176.329 174.600 0.070 0.000 1.033 210 S CA 1.724 59.949 58.200 0.042 0.000 1.011 210 S CB -1.014 62.220 63.200 0.057 0.000 0.852 210 S HN 0.563 nan 8.310 nan 0.000 0.457 211 H N 0.983 120.059 119.070 0.011 0.000 2.353 211 H HA -0.011 4.522 4.556 -0.038 0.000 0.300 211 H C 2.113 177.451 175.328 0.018 0.000 1.090 211 H CA 1.384 57.432 56.048 -0.000 0.000 1.327 211 H CB -0.099 29.675 29.762 0.021 0.000 1.383 211 H HN 0.408 nan 8.280 nan 0.000 0.508 212 N N -0.449 118.326 118.700 0.124 0.000 2.223 212 N HA -0.166 4.552 4.740 -0.037 0.000 0.185 212 N C 1.573 177.153 175.510 0.116 0.000 1.016 212 N CA 0.693 53.775 53.050 0.053 0.000 0.863 212 N CB -0.076 38.437 38.487 0.044 0.000 0.983 212 N HN 0.207 nan 8.380 nan 0.000 0.429 213 F N 2.090 121.951 119.950 -0.148 0.000 2.075 213 F HA -0.190 4.315 4.527 -0.036 0.000 0.297 213 F C 2.700 178.442 175.800 -0.097 0.000 1.113 213 F CA 1.750 59.624 58.000 -0.210 0.000 1.218 213 F CB -1.297 37.447 39.000 -0.426 0.000 0.984 213 F HN 0.067 nan 8.300 nan 0.000 0.472 214 T N -1.969 112.513 114.554 -0.120 0.000 2.833 214 T HA -0.216 4.112 4.350 -0.037 0.000 0.269 214 T C 1.842 176.590 174.700 0.079 0.000 1.054 214 T CA 1.801 63.837 62.100 -0.107 0.000 1.135 214 T CB -1.066 67.758 68.868 -0.074 0.000 0.869 214 T HN 0.448 nan 8.240 nan 0.000 0.466 215 N N 0.606 119.383 118.700 0.128 0.000 2.142 215 N HA 0.077 4.795 4.740 -0.037 0.000 0.186 215 N C 2.054 177.611 175.510 0.079 0.000 1.023 215 N CA 1.233 54.351 53.050 0.113 0.000 0.852 215 N CB -0.258 38.279 38.487 0.083 0.000 0.998 215 N HN 0.366 nan 8.380 nan 0.000 0.424 216 M N 0.491 120.147 119.600 0.093 0.000 2.229 216 M HA -0.083 4.375 4.480 -0.037 0.000 0.264 216 M C 1.666 178.024 176.300 0.097 0.000 1.063 216 M CA 1.077 56.441 55.300 0.107 0.000 1.114 216 M CB -0.058 32.637 32.600 0.157 0.000 1.387 216 M HN 0.177 nan 8.290 nan 0.000 0.420 217 L N -0.611 120.632 121.223 0.033 0.000 2.376 217 L HA 0.028 4.346 4.340 -0.037 0.000 0.219 217 L C 1.324 178.240 176.870 0.077 0.000 1.133 217 L CA 0.599 55.413 54.840 -0.044 0.000 0.816 217 L CB -0.502 41.384 42.059 -0.289 0.000 0.933 217 L HN 0.610 nan 8.230 nan 0.000 0.449 218 G N -1.138 107.696 108.800 0.057 0.000 2.132 218 G HA2 -0.292 3.646 3.960 -0.037 0.000 0.228 218 G HA3 -0.292 3.646 3.960 -0.037 0.000 0.228 218 G C -0.281 174.464 174.900 -0.257 0.000 1.000 218 G CA -0.527 44.530 45.100 -0.072 0.000 0.693 218 G HN 0.225 nan 8.290 nan 0.000 0.515 219 Y N 0.567 120.826 120.300 -0.070 0.000 2.328 219 Y HA 0.495 5.023 4.550 -0.037 0.000 0.337 219 Y C 1.817 177.713 175.900 -0.007 0.000 1.008 219 Y CA 0.194 58.243 58.100 -0.085 0.000 1.129 219 Y CB 1.854 40.231 38.460 -0.137 0.000 1.185 219 Y HN 0.231 nan 8.280 nan 0.000 0.476 220 T N -2.455 112.142 114.554 0.072 0.000 3.039 220 T HA -0.009 4.318 4.350 -0.037 0.000 0.250 220 T C 0.456 175.202 174.700 0.076 0.000 1.052 220 T CA 0.004 62.143 62.100 0.065 0.000 1.125 220 T CB -0.104 68.775 68.868 0.018 0.000 0.908 220 T HN 0.492 nan 8.240 nan 0.000 0.473 221 D N 3.712 124.173 120.400 0.101 0.000 2.531 221 D HA 0.070 4.688 4.640 -0.037 0.000 0.239 221 D C -1.478 174.856 176.300 0.057 0.000 1.144 221 D CA -1.754 52.307 54.000 0.103 0.000 0.869 221 D CB 1.566 42.469 40.800 0.172 0.000 1.160 221 D HN 0.106 nan 8.370 nan 0.000 0.484 222 P HA -0.100 nan 4.420 nan 0.000 0.221 222 P C 1.064 178.312 177.300 -0.086 0.000 1.150 222 P CA 0.638 63.705 63.100 -0.055 0.000 0.800 222 P CB 0.414 32.093 31.700 -0.035 0.000 0.787 223 Q N -1.574 118.198 119.800 -0.047 0.000 2.230 223 Q HA -0.038 4.279 4.340 -0.037 0.000 0.202 223 Q C 1.749 177.560 176.000 -0.316 0.000 0.963 223 Q CA 0.786 56.520 55.803 -0.115 0.000 0.866 223 Q CB -1.183 27.568 28.738 0.020 0.000 0.931 223 Q HN 0.186 nan 8.270 nan 0.000 0.452 224 F N 0.663 120.271 119.950 -0.570 0.000 2.102 224 F HA -0.183 4.321 4.527 -0.038 0.000 0.298 224 F C 1.928 177.440 175.800 -0.480 0.000 1.105 224 F CA 1.837 59.383 58.000 -0.756 0.000 1.239 224 F CB -0.547 38.117 39.000 -0.560 0.000 0.991 224 F HN 0.029 nan 8.300 nan 0.000 0.474 225 T N 0.122 114.435 114.554 -0.401 0.000 2.699 225 T HA -0.205 4.123 4.350 -0.037 0.000 0.268 225 T C 1.806 176.283 174.700 -0.372 0.000 1.036 225 T CA 1.668 63.518 62.100 -0.416 0.000 1.147 225 T CB -0.318 68.321 68.868 -0.381 0.000 0.862 225 T HN 0.283 nan 8.240 nan 0.000 0.446 226 E N 0.644 120.675 120.200 -0.282 0.000 2.106 226 E HA -0.032 4.296 4.350 -0.037 0.000 0.192 226 E C 2.243 178.715 176.600 -0.214 0.000 0.984 226 E CA 0.564 56.869 56.400 -0.158 0.000 0.806 226 E CB -0.377 29.293 29.700 -0.050 0.000 0.750 226 E HN 0.344 nan 8.360 nan 0.000 0.458 227 L N 0.625 121.600 121.223 -0.413 0.000 2.017 227 L HA -0.166 4.151 4.340 -0.037 0.000 0.208 227 L C 2.414 178.963 176.870 -0.535 0.000 1.073 227 L CA 1.672 56.112 54.840 -0.666 0.000 0.745 227 L CB -0.564 41.033 42.059 -0.769 0.000 0.894 227 L HN 0.067 nan 8.230 nan 0.000 0.432 228 M N -0.168 119.032 119.600 -0.667 0.000 2.065 228 M HA -0.226 4.232 4.480 -0.037 0.000 0.259 228 M C 2.394 178.571 176.300 -0.206 0.000 1.069 228 M CA 1.879 56.858 55.300 -0.535 0.000 1.110 228 M CB -0.377 31.781 32.600 -0.736 0.000 1.328 228 M HN 0.198 nan 8.290 nan 0.000 0.405 229 R N -0.679 119.727 120.500 -0.157 0.000 2.091 229 R HA -0.181 4.137 4.340 -0.037 0.000 0.238 229 R C 2.160 178.470 176.300 0.017 0.000 1.136 229 R CA 1.770 57.861 56.100 -0.015 0.000 0.959 229 R CB -0.997 29.299 30.300 -0.007 0.000 0.856 229 R HN 0.388 nan 8.270 nan 0.000 0.437 230 L N -0.264 120.932 121.223 -0.045 0.000 2.027 230 L HA -0.164 4.154 4.340 -0.037 0.000 0.206 230 L C 2.136 179.015 176.870 0.014 0.000 1.074 230 L CA 1.591 56.414 54.840 -0.029 0.000 0.745 230 L CB -0.654 41.345 42.059 -0.100 0.000 0.898 230 L HN 0.073 nan 8.230 nan 0.000 0.433 231 Y N 0.153 120.370 120.300 -0.139 0.000 2.053 231 Y HA -0.299 4.227 4.550 -0.040 0.000 0.277 231 Y C 2.279 178.242 175.900 0.105 0.000 1.159 231 Y CA 2.306 60.380 58.100 -0.042 0.000 1.125 231 Y CB -0.531 37.799 38.460 -0.217 0.000 0.969 231 Y HN 0.180 nan 8.280 nan 0.000 0.492 232 L N -1.157 120.289 121.223 0.370 0.000 2.191 232 L HA -0.229 4.088 4.340 -0.037 0.000 0.212 232 L C 2.211 179.247 176.870 0.276 0.000 1.103 232 L CA 1.663 56.714 54.840 0.352 0.000 0.769 232 L CB -0.724 41.520 42.059 0.310 0.000 0.908 232 L HN 0.253 nan 8.230 nan 0.000 0.438 233 T N 0.264 114.925 114.554 0.179 0.000 2.852 233 T HA -0.040 4.288 4.350 -0.037 0.000 0.256 233 T C 1.814 176.548 174.700 0.056 0.000 1.038 233 T CA 1.233 63.391 62.100 0.097 0.000 1.141 233 T CB -0.053 68.849 68.868 0.058 0.000 0.869 233 T HN 0.447 nan 8.240 nan 0.000 0.439 234 I N -0.842 119.756 120.570 0.047 0.000 2.830 234 I HA 0.033 4.180 4.170 -0.037 0.000 0.263 234 I C 1.777 177.848 176.117 -0.077 0.000 1.230 234 I CA 1.432 62.735 61.300 0.005 0.000 1.480 234 I CB -0.475 37.457 38.000 -0.115 0.000 1.095 234 I HN 0.169 nan 8.210 nan 0.000 0.455 235 H N 1.024 120.046 119.070 -0.080 0.000 2.539 235 H HA 0.086 4.618 4.556 -0.040 0.000 0.269 235 H C 2.478 177.925 175.328 0.199 0.000 0.980 235 H CA 0.774 56.755 56.048 -0.111 0.000 1.152 235 H CB 0.158 29.704 29.762 -0.361 0.000 1.407 235 H HN 0.533 nan 8.280 nan 0.000 0.564 236 S N -0.460 115.421 115.700 0.301 0.000 2.372 236 S HA -0.177 4.271 4.470 -0.037 0.000 0.227 236 S C 0.689 175.519 174.600 0.384 0.000 1.044 236 S CA 1.688 60.068 58.200 0.299 0.000 1.050 236 S CB 0.150 63.427 63.200 0.128 0.000 0.901 236 S HN 0.387 nan 8.310 nan 0.000 0.447 237 D N -1.836 118.862 120.400 0.498 0.000 2.655 237 D HA 0.425 5.043 4.640 -0.037 0.000 0.229 237 D C -1.380 175.284 176.300 0.607 0.000 1.229 237 D CA -0.584 53.749 54.000 0.556 0.000 0.807 237 D CB 1.396 42.542 40.800 0.577 0.000 1.514 237 D HN 0.272 nan 8.370 nan 0.000 0.444 238 H N 2.519 121.763 119.070 0.290 0.000 3.083 238 H HA 0.193 4.725 4.556 -0.040 0.000 0.217 238 H C -0.513 174.843 175.328 0.047 0.000 1.397 238 H CA 0.149 56.297 56.048 0.167 0.000 1.248 238 H CB 0.435 30.319 29.762 0.202 0.000 2.199 238 H HN 0.736 nan 8.280 nan 0.000 0.521 239 E N -1.598 118.598 120.200 -0.007 0.000 8.957 239 E HA -0.181 4.147 4.350 -0.037 0.000 0.219 239 E C 0.066 176.238 176.600 -0.714 0.000 1.448 239 E CA 0.902 57.186 56.400 -0.195 0.000 2.519 239 E CB -1.254 28.344 29.700 -0.171 0.000 1.189 239 E HN 0.373 nan 8.360 nan 0.000 0.444 240 G N -0.747 107.481 108.800 -0.953 0.000 2.887 240 G HA2 0.297 4.235 3.960 -0.037 0.000 0.211 240 G HA3 0.297 4.235 3.960 -0.037 0.000 0.211 240 G C 1.050 175.616 174.900 -0.556 0.000 1.152 240 G CA 0.425 44.777 45.100 -1.246 0.000 0.769 240 G HN 0.831 nan 8.290 nan 0.000 0.541 241 G N 0.617 109.201 108.800 -0.359 0.000 2.920 241 G HA2 0.053 3.990 3.960 -0.037 0.000 0.208 241 G HA3 0.053 3.990 3.960 -0.037 0.000 0.208 241 G C 0.633 175.461 174.900 -0.121 0.000 1.159 241 G CA 0.001 44.952 45.100 -0.248 0.000 0.784 241 G HN 0.604 nan 8.290 nan 0.000 0.535 242 N N -0.459 118.182 118.700 -0.098 0.000 2.503 242 N HA 0.202 4.920 4.740 -0.037 0.000 0.267 242 N C 1.211 176.659 175.510 -0.103 0.000 1.214 242 N CA -0.321 52.679 53.050 -0.084 0.000 0.959 242 N CB 1.380 39.906 38.487 0.064 0.000 1.142 242 N HN -0.179 nan 8.380 nan 0.000 0.455 243 V N 0.890 120.596 119.914 -0.346 0.000 2.222 243 V HA -0.365 3.733 4.120 -0.037 0.000 0.252 243 V C 2.541 178.618 176.094 -0.029 0.000 1.060 243 V CA 2.708 64.851 62.300 -0.262 0.000 1.027 243 V CB -1.419 30.175 31.823 -0.381 0.000 0.644 243 V HN 0.952 nan 8.190 nan 0.000 0.448 244 S N 1.095 116.885 115.700 0.150 0.000 2.359 244 S HA -0.209 4.238 4.470 -0.037 0.000 0.224 244 S C 2.098 176.794 174.600 0.160 0.000 1.035 244 S CA 1.655 59.963 58.200 0.180 0.000 1.018 244 S CB -0.789 62.508 63.200 0.160 0.000 0.876 244 S HN 0.675 nan 8.310 nan 0.000 0.448 245 A N 1.685 124.613 122.820 0.179 0.000 1.877 245 A HA -0.139 4.159 4.320 -0.037 0.000 0.216 245 A C 2.192 179.912 177.584 0.226 0.000 1.186 245 A CA 1.698 53.846 52.037 0.185 0.000 0.620 245 A CB -1.503 17.503 19.000 0.010 0.000 0.822 245 A HN 0.823 nan 8.150 nan 0.000 0.443 246 H N -0.823 118.257 119.070 0.018 0.000 2.352 246 H HA -0.125 4.429 4.556 -0.003 0.000 0.299 246 H C 2.155 177.560 175.328 0.128 0.000 1.097 246 H CA 1.594 57.671 56.048 0.049 0.000 1.311 246 H CB 0.143 29.889 29.762 -0.027 0.000 1.377 246 H HN 0.455 nan 8.280 nan 0.000 0.504 247 T N -0.222 114.399 114.554 0.111 0.000 2.708 247 T HA -0.214 4.114 4.350 -0.037 0.000 0.266 247 T C 2.361 177.124 174.700 0.105 0.000 1.037 247 T CA 1.685 63.797 62.100 0.020 0.000 1.146 247 T CB -0.417 68.441 68.868 -0.016 0.000 0.865 247 T HN 0.566 nan 8.240 nan 0.000 0.435 248 S N 0.977 116.779 115.700 0.170 0.000 2.382 248 S HA -0.221 4.226 4.470 -0.037 0.000 0.228 248 S C 1.891 176.634 174.600 0.239 0.000 1.027 248 S CA 1.683 60.000 58.200 0.196 0.000 0.991 248 S CB -0.736 62.615 63.200 0.252 0.000 0.823 248 S HN 0.663 nan 8.310 nan 0.000 0.469 249 H N 1.435 120.643 119.070 0.229 0.000 2.293 249 H HA 0.042 4.570 4.556 -0.047 0.000 0.300 249 H C 2.040 177.491 175.328 0.205 0.000 1.082 249 H CA 1.838 58.042 56.048 0.261 0.000 1.308 249 H CB -0.616 29.355 29.762 0.349 0.000 1.375 249 H HN 0.354 nan 8.280 nan 0.000 0.495 250 L N -0.162 121.218 121.223 0.262 0.000 2.012 250 L HA -0.123 4.194 4.340 -0.037 0.000 0.210 250 L C 2.298 179.190 176.870 0.037 0.000 1.073 250 L CA 1.534 56.447 54.840 0.121 0.000 0.748 250 L CB -0.838 41.261 42.059 0.066 0.000 0.891 250 L HN 0.250 nan 8.230 nan 0.000 0.431 251 V N 0.131 120.069 119.914 0.039 0.000 2.427 251 V HA -0.156 3.941 4.120 -0.037 0.000 0.248 251 V C 2.546 178.640 176.094 0.000 0.000 1.051 251 V CA 1.686 63.996 62.300 0.017 0.000 1.048 251 V CB -1.309 30.527 31.823 0.023 0.000 0.666 251 V HN 0.657 nan 8.190 nan 0.000 0.456 252 G N -0.154 108.648 108.800 0.004 0.000 2.484 252 G HA2 -0.219 3.718 3.960 -0.037 0.000 0.218 252 G HA3 -0.219 3.718 3.960 -0.037 0.000 0.218 252 G C 1.788 176.649 174.900 -0.065 0.000 1.130 252 G CA 1.080 46.155 45.100 -0.042 0.000 0.784 252 G HN 0.641 nan 8.290 nan 0.000 0.543 253 S N 0.553 116.218 115.700 -0.057 0.000 2.469 253 S HA 0.206 4.654 4.470 -0.037 0.000 0.238 253 S C 2.142 176.737 174.600 -0.008 0.000 0.998 253 S CA 1.235 59.411 58.200 -0.040 0.000 0.957 253 S CB -0.143 63.025 63.200 -0.052 0.000 0.764 253 S HN 0.508 nan 8.310 nan 0.000 0.514 254 A N 0.679 123.487 122.820 -0.021 0.000 2.307 254 A HA 0.636 4.934 4.320 -0.037 0.000 0.218 254 A C 1.163 178.711 177.584 -0.060 0.000 1.228 254 A CA 0.166 52.190 52.037 -0.021 0.000 0.857 254 A CB -0.703 18.285 19.000 -0.019 0.000 0.897 254 A HN 0.899 nan 8.150 nan 0.000 0.495 255 L N -1.975 119.200 121.223 -0.080 0.000 4.793 255 L HA -0.177 4.141 4.340 -0.037 0.000 0.404 255 L C 0.371 177.199 176.870 -0.071 0.000 1.022 255 L CA 0.067 54.834 54.840 -0.123 0.000 1.242 255 L CB -2.829 39.114 42.059 -0.193 0.000 2.049 255 L HN 0.185 nan 8.230 nan 0.000 0.637 256 S N 0.945 116.609 115.700 -0.060 0.000 2.572 256 S HA 0.293 4.740 4.470 -0.037 0.000 0.279 256 S C 0.503 175.101 174.600 -0.004 0.000 1.341 256 S CA 0.076 58.271 58.200 -0.008 0.000 1.043 256 S CB 0.918 64.121 63.200 0.006 0.000 0.887 256 S HN 0.460 nan 8.310 nan 0.000 0.516 257 D N 2.203 122.666 120.400 0.106 0.000 2.363 257 D HA 0.141 4.759 4.640 -0.037 0.000 0.240 257 D C -1.959 174.387 176.300 0.077 0.000 1.236 257 D CA -1.234 52.851 54.000 0.142 0.000 0.927 257 D CB -0.062 40.939 40.800 0.335 0.000 1.150 257 D HN 0.105 nan 8.370 nan 0.000 0.458 258 P HA -0.146 nan 4.420 nan 0.000 0.218 258 P C 0.795 178.119 177.300 0.040 0.000 1.148 258 P CA 1.263 64.354 63.100 -0.015 0.000 0.822 258 P CB -0.153 31.470 31.700 -0.127 0.000 0.784 259 Y N -0.610 119.745 120.300 0.092 0.000 2.145 259 Y HA -0.136 4.388 4.550 -0.044 0.000 0.286 259 Y C 2.400 178.385 175.900 0.141 0.000 1.145 259 Y CA 1.139 59.314 58.100 0.125 0.000 1.148 259 Y CB -1.351 37.169 38.460 0.099 0.000 0.981 259 Y HN -0.165 nan 8.280 nan 0.000 0.507 260 L N -0.941 120.437 121.223 0.259 0.000 2.056 260 L HA -0.209 4.109 4.340 -0.037 0.000 0.207 260 L C 2.354 179.294 176.870 0.116 0.000 1.078 260 L CA 1.505 56.438 54.840 0.156 0.000 0.749 260 L CB -0.762 41.364 42.059 0.112 0.000 0.901 260 L HN 0.186 nan 8.230 nan 0.000 0.433 261 S N 0.071 115.840 115.700 0.115 0.000 2.368 261 S HA -0.194 4.253 4.470 -0.037 0.000 0.225 261 S C 1.816 176.493 174.600 0.128 0.000 1.030 261 S CA 1.168 59.427 58.200 0.099 0.000 0.999 261 S CB -0.604 62.647 63.200 0.085 0.000 0.844 261 S HN 0.298 nan 8.310 nan 0.000 0.459 262 F N 2.903 122.868 119.950 0.026 0.000 2.102 262 F HA -0.008 4.515 4.527 -0.006 0.000 0.298 262 F C 2.483 178.303 175.800 0.033 0.000 1.105 262 F CA 0.779 58.791 58.000 0.020 0.000 1.239 262 F CB -0.913 38.069 39.000 -0.029 0.000 0.991 262 F HN 0.189 nan 8.300 nan 0.000 0.474 263 A N 0.310 123.121 122.820 -0.016 0.000 1.908 263 A HA -0.087 4.211 4.320 -0.037 0.000 0.218 263 A C 2.416 179.932 177.584 -0.113 0.000 1.181 263 A CA 1.915 53.910 52.037 -0.071 0.000 0.627 263 A CB -1.577 17.465 19.000 0.070 0.000 0.818 263 A HN 0.493 nan 8.150 nan 0.000 0.445 264 A N -0.203 122.582 122.820 -0.058 0.000 1.902 264 A HA 0.172 4.470 4.320 -0.037 0.000 0.217 264 A C 2.487 180.012 177.584 -0.098 0.000 1.181 264 A CA 2.011 54.015 52.037 -0.055 0.000 0.623 264 A CB -0.973 18.017 19.000 -0.018 0.000 0.818 264 A HN 1.081 nan 8.150 nan 0.000 0.443 265 A N -0.948 121.789 122.820 -0.138 0.000 1.933 265 A HA -0.114 4.184 4.320 -0.037 0.000 0.218 265 A C 2.105 179.550 177.584 -0.231 0.000 1.175 265 A CA 1.894 53.842 52.037 -0.148 0.000 0.628 265 A CB -0.456 18.461 19.000 -0.139 0.000 0.814 265 A HN 0.421 nan 8.150 nan 0.000 0.444 266 M N 0.134 119.510 119.600 -0.373 0.000 2.229 266 M HA -0.104 4.353 4.480 -0.037 0.000 0.264 266 M C 1.576 177.764 176.300 -0.187 0.000 1.063 266 M CA 0.992 56.090 55.300 -0.337 0.000 1.114 266 M CB -1.757 30.624 32.600 -0.366 0.000 1.387 266 M HN 0.547 nan 8.290 nan 0.000 0.420 267 N N -0.107 118.508 118.700 -0.142 0.000 2.244 267 N HA -0.086 4.631 4.740 -0.037 0.000 0.183 267 N C 1.820 177.284 175.510 -0.078 0.000 1.016 267 N CA 0.931 53.923 53.050 -0.096 0.000 0.866 267 N CB -0.116 38.328 38.487 -0.071 0.000 0.980 267 N HN 0.427 nan 8.380 nan 0.000 0.430 268 G N 1.476 110.238 108.800 -0.063 0.000 2.404 268 G HA2 -0.185 3.752 3.960 -0.037 0.000 0.215 268 G HA3 -0.185 3.752 3.960 -0.037 0.000 0.215 268 G C 1.450 176.393 174.900 0.072 0.000 1.174 268 G CA 0.188 45.286 45.100 -0.003 0.000 0.780 268 G HN 0.111 nan 8.290 nan 0.000 0.537 269 L N 1.460 122.663 121.223 -0.034 0.000 2.127 269 L HA 0.127 4.445 4.340 -0.037 0.000 0.211 269 L C 2.903 179.643 176.870 -0.217 0.000 1.089 269 L CA 1.745 56.422 54.840 -0.272 0.000 0.757 269 L CB -0.476 41.325 42.059 -0.430 0.000 0.899 269 L HN 0.235 nan 8.230 nan 0.000 0.434 270 A N -0.836 121.903 122.820 -0.136 0.000 2.239 270 A HA 0.247 4.545 4.320 -0.037 0.000 0.209 270 A C 1.352 178.880 177.584 -0.092 0.000 1.171 270 A CA 0.561 52.525 52.037 -0.121 0.000 0.768 270 A CB -1.378 17.541 19.000 -0.135 0.000 0.790 270 A HN 0.420 nan 8.150 nan 0.000 0.478 271 G N -0.431 108.345 108.800 -0.041 0.000 2.415 271 G HA2 0.418 4.356 3.960 -0.037 0.000 0.269 271 G HA3 0.418 4.356 3.960 -0.037 0.000 0.269 271 G C -1.472 173.434 174.900 0.009 0.000 1.209 271 G CA -1.029 44.062 45.100 -0.015 0.000 0.835 271 G HN 0.052 nan 8.290 nan 0.000 0.534 272 P HA -0.091 nan 4.420 nan 0.000 0.219 272 P C 1.676 178.998 177.300 0.037 0.000 1.146 272 P CA 0.849 63.960 63.100 0.018 0.000 0.808 272 P CB 0.217 31.921 31.700 0.006 0.000 0.779 273 L N -3.504 117.740 121.223 0.035 0.000 2.558 273 L HA 0.048 4.365 4.340 -0.037 0.000 0.225 273 L C 1.781 178.705 176.870 0.091 0.000 1.128 273 L CA 0.349 55.209 54.840 0.035 0.000 0.868 273 L CB -0.498 41.560 42.059 -0.002 0.000 1.006 273 L HN 0.157 nan 8.230 nan 0.000 0.454 274 H N -0.438 118.616 119.070 -0.027 0.000 4.150 274 H HA 0.309 4.835 4.556 -0.050 0.000 0.267 274 H C 1.538 176.858 175.328 -0.013 0.000 1.481 274 H CA 0.346 56.370 56.048 -0.039 0.000 1.230 274 H CB -0.120 29.589 29.762 -0.089 0.000 0.975 274 H HN -0.156 nan 8.280 nan 0.000 0.637 275 G N 0.521 109.083 108.800 -0.396 0.000 2.448 275 G HA2 -0.198 3.740 3.960 -0.037 0.000 0.219 275 G HA3 -0.198 3.740 3.960 -0.037 0.000 0.219 275 G C 1.474 176.371 174.900 -0.006 0.000 1.127 275 G CA 0.906 45.765 45.100 -0.402 0.000 0.766 275 G HN 0.366 nan 8.290 nan 0.000 0.552 276 L N 0.998 122.221 121.223 -0.001 0.000 2.362 276 L HA 0.201 4.518 4.340 -0.037 0.000 0.219 276 L C 2.982 179.928 176.870 0.127 0.000 1.134 276 L CA 1.323 56.202 54.840 0.065 0.000 0.807 276 L CB -0.240 41.824 42.059 0.009 0.000 0.927 276 L HN 0.229 nan 8.230 nan 0.000 0.447 277 A N 0.377 123.279 122.820 0.137 0.000 1.986 277 A HA -0.307 3.990 4.320 -0.037 0.000 0.220 277 A C 2.027 179.735 177.584 0.207 0.000 1.171 277 A CA 1.987 54.115 52.037 0.151 0.000 0.640 277 A CB -1.141 17.946 19.000 0.144 0.000 0.811 277 A HN 0.818 nan 8.150 nan 0.000 0.451 278 N N -0.632 118.233 118.700 0.275 0.000 2.104 278 N HA -0.320 4.398 4.740 -0.037 0.000 0.190 278 N C 1.991 177.722 175.510 0.369 0.000 1.024 278 N CA 1.445 54.697 53.050 0.337 0.000 0.853 278 N CB -0.467 38.251 38.487 0.386 0.000 1.008 278 N HN 0.740 nan 8.380 nan 0.000 0.424 279 Q N 0.706 120.691 119.800 0.309 0.000 2.083 279 Q HA -0.145 4.173 4.340 -0.037 0.000 0.198 279 Q C 1.613 177.724 176.000 0.185 0.000 0.969 279 Q CA 0.989 56.920 55.803 0.214 0.000 0.838 279 Q CB 0.066 28.907 28.738 0.171 0.000 0.900 279 Q HN 0.370 nan 8.270 nan 0.000 0.436 280 E N 0.308 120.618 120.200 0.183 0.000 2.110 280 E HA -0.139 4.189 4.350 -0.037 0.000 0.193 280 E C 2.220 178.960 176.600 0.235 0.000 0.988 280 E CA 1.123 57.628 56.400 0.175 0.000 0.804 280 E CB -0.191 29.583 29.700 0.123 0.000 0.745 280 E HN 0.265 nan 8.360 nan 0.000 0.458 281 V N 1.713 121.771 119.914 0.241 0.000 2.287 281 V HA -0.244 3.854 4.120 -0.037 0.000 0.248 281 V C 2.473 178.785 176.094 0.363 0.000 1.053 281 V CA 1.279 63.758 62.300 0.299 0.000 1.027 281 V CB -0.466 31.517 31.823 0.267 0.000 0.646 281 V HN 0.241 nan 8.190 nan 0.000 0.447 282 L N -0.627 120.778 121.223 0.303 0.000 2.046 282 L HA -0.124 4.193 4.340 -0.037 0.000 0.208 282 L C 2.299 179.293 176.870 0.208 0.000 1.077 282 L CA 1.956 56.951 54.840 0.259 0.000 0.747 282 L CB -1.027 41.184 42.059 0.253 0.000 0.896 282 L HN 0.308 nan 8.230 nan 0.000 0.432 283 L N -2.536 118.807 121.223 0.200 0.000 2.083 283 L HA -0.265 4.052 4.340 -0.037 0.000 0.209 283 L C 2.412 179.422 176.870 0.234 0.000 1.083 283 L CA 1.291 56.234 54.840 0.173 0.000 0.752 283 L CB -0.622 41.532 42.059 0.158 0.000 0.899 283 L HN 0.349 nan 8.230 nan 0.000 0.433 284 W N 0.574 121.945 121.300 0.118 0.000 2.363 284 W HA -0.178 4.461 4.660 -0.036 0.000 0.296 284 W C 2.248 178.849 176.519 0.137 0.000 1.212 284 W CA 1.335 58.773 57.345 0.154 0.000 1.260 284 W CB -0.070 29.488 29.460 0.162 0.000 1.131 284 W HN -0.033 nan 8.180 nan 0.000 0.530 285 L N -0.213 121.116 121.223 0.177 0.000 2.056 285 L HA -0.230 4.088 4.340 -0.037 0.000 0.207 285 L C 2.527 179.333 176.870 -0.106 0.000 1.078 285 L CA 1.671 56.496 54.840 -0.025 0.000 0.749 285 L CB -1.132 41.001 42.059 0.124 0.000 0.901 285 L HN -0.136 nan 8.230 nan 0.000 0.433 286 S N -0.622 115.072 115.700 -0.009 0.000 2.383 286 S HA -0.274 4.173 4.470 -0.037 0.000 0.229 286 S C 1.882 176.444 174.600 -0.064 0.000 1.030 286 S CA 1.294 59.481 58.200 -0.021 0.000 1.002 286 S CB -0.224 62.989 63.200 0.022 0.000 0.829 286 S HN 0.373 nan 8.310 nan 0.000 0.467 287 Q N 0.762 120.521 119.800 -0.068 0.000 2.083 287 Q HA 0.105 4.423 4.340 -0.037 0.000 0.198 287 Q C 2.090 177.982 176.000 -0.181 0.000 0.969 287 Q CA 0.781 56.553 55.803 -0.052 0.000 0.838 287 Q CB -0.281 28.477 28.738 0.034 0.000 0.900 287 Q HN 0.498 nan 8.270 nan 0.000 0.436 288 L N 0.258 121.207 121.223 -0.456 0.000 1.944 288 L HA -0.331 3.987 4.340 -0.037 0.000 0.218 288 L C 2.241 178.810 176.870 -0.501 0.000 1.075 288 L CA 1.776 56.066 54.840 -0.917 0.000 0.767 288 L CB -0.273 41.140 42.059 -1.075 0.000 0.890 288 L HN 0.327 nan 8.230 nan 0.000 0.434 289 Q N -0.594 119.011 119.800 -0.325 0.000 2.297 289 Q HA -0.286 4.031 4.340 -0.037 0.000 0.208 289 Q C 2.083 178.002 176.000 -0.135 0.000 0.981 289 Q CA 1.951 57.639 55.803 -0.191 0.000 0.876 289 Q CB -0.069 28.598 28.738 -0.118 0.000 0.921 289 Q HN 0.539 nan 8.270 nan 0.000 0.446 290 K N 0.453 120.778 120.400 -0.126 0.000 2.098 290 K HA -0.128 4.170 4.320 -0.037 0.000 0.203 290 K C 0.966 177.529 176.600 -0.061 0.000 1.051 290 K CA 1.532 57.777 56.287 -0.070 0.000 0.957 290 K CB 0.102 32.578 32.500 -0.039 0.000 0.738 290 K HN -0.015 nan 8.250 nan 0.000 0.447 291 D N 0.934 121.288 120.400 -0.078 0.000 2.075 291 D HA -0.093 4.524 4.640 -0.037 0.000 0.196 291 D C 1.956 178.225 176.300 -0.051 0.000 0.985 291 D CA 1.795 55.776 54.000 -0.031 0.000 0.834 291 D CB 0.092 40.916 40.800 0.040 0.000 0.987 291 D HN 0.167 nan 8.370 nan 0.000 0.452 292 L N -0.954 120.199 121.223 -0.117 0.000 2.162 292 L HA 0.245 4.562 4.340 -0.037 0.000 0.205 292 L C 0.898 177.719 176.870 -0.082 0.000 1.086 292 L CA 0.365 55.145 54.840 -0.100 0.000 0.778 292 L CB -0.803 41.167 42.059 -0.148 0.000 0.928 292 L HN 0.175 nan 8.230 nan 0.000 0.446 293 G N -0.174 108.568 108.800 -0.095 0.000 3.399 293 G HA2 0.003 3.940 3.960 -0.037 0.000 0.685 293 G HA3 0.003 3.940 3.960 -0.037 0.000 0.685 293 G C 0.819 175.681 174.900 -0.064 0.000 0.952 293 G CA -0.030 45.030 45.100 -0.067 0.000 0.793 293 G HN 0.444 nan 8.290 nan 0.000 0.492 294 A N 1.801 124.586 122.820 -0.058 0.000 1.318 294 A HA -0.318 3.980 4.320 -0.037 0.000 0.373 294 A C 1.449 179.008 177.584 -0.042 0.000 4.836 294 A CA 3.299 55.310 52.037 -0.043 0.000 0.972 294 A CB -0.984 18.003 19.000 -0.022 0.000 0.684 294 A HN 2.333 nan 8.150 nan 0.000 0.563 295 D N -1.015 119.363 120.400 -0.036 0.000 2.479 295 D HA 0.613 5.231 4.640 -0.037 0.000 0.247 295 D C -0.140 176.139 176.300 -0.035 0.000 1.119 295 D CA 0.569 54.551 54.000 -0.031 0.000 0.922 295 D CB 0.419 41.208 40.800 -0.018 0.000 1.014 295 D HN 0.710 nan 8.370 nan 0.000 0.510 296 A N 2.264 125.055 122.820 -0.048 0.000 2.286 296 A HA 0.602 4.900 4.320 -0.037 0.000 0.286 296 A C 0.468 178.037 177.584 -0.025 0.000 1.097 296 A CA -0.547 51.462 52.037 -0.046 0.000 0.821 296 A CB 0.633 19.586 19.000 -0.078 0.000 1.076 296 A HN 0.584 nan 8.150 nan 0.000 0.490 297 S N 0.240 115.931 115.700 -0.014 0.000 2.610 297 S HA 0.278 4.726 4.470 -0.037 0.000 0.273 297 S C 0.067 174.672 174.600 0.008 0.000 1.274 297 S CA -0.250 57.950 58.200 -0.000 0.000 1.023 297 S CB 1.034 64.238 63.200 0.006 0.000 0.962 297 S HN 0.559 nan 8.310 nan 0.000 0.523 298 D N 1.445 121.854 120.400 0.015 0.000 2.123 298 D HA -0.127 4.491 4.640 -0.037 0.000 0.196 298 D C 2.111 178.436 176.300 0.043 0.000 0.992 298 D CA 1.688 55.703 54.000 0.026 0.000 0.833 298 D CB -0.175 40.640 40.800 0.026 0.000 0.954 298 D HN 0.833 nan 8.370 nan 0.000 0.455 299 E N 1.347 121.572 120.200 0.043 0.000 2.118 299 E HA -0.194 4.134 4.350 -0.037 0.000 0.195 299 E C 1.623 178.266 176.600 0.072 0.000 0.992 299 E CA 0.927 57.362 56.400 0.058 0.000 0.804 299 E CB -0.490 29.238 29.700 0.047 0.000 0.741 299 E HN 0.328 nan 8.360 nan 0.000 0.458 300 K N 0.495 120.927 120.400 0.053 0.000 2.217 300 K HA 0.082 4.380 4.320 -0.037 0.000 0.202 300 K C 2.433 179.082 176.600 0.082 0.000 1.051 300 K CA 0.488 56.811 56.287 0.060 0.000 0.952 300 K CB -0.032 32.484 32.500 0.026 0.000 0.736 300 K HN 0.182 nan 8.250 nan 0.000 0.453 301 L N 0.391 121.649 121.223 0.059 0.000 2.072 301 L HA -0.112 4.205 4.340 -0.037 0.000 0.205 301 L C 2.593 179.545 176.870 0.138 0.000 1.079 301 L CA 1.022 55.902 54.840 0.067 0.000 0.752 301 L CB -0.373 41.708 42.059 0.037 0.000 0.906 301 L HN 0.149 nan 8.230 nan 0.000 0.436 302 R N 0.180 120.754 120.500 0.125 0.000 2.080 302 R HA -0.185 4.133 4.340 -0.037 0.000 0.236 302 R C 1.956 178.404 176.300 0.247 0.000 1.137 302 R CA 1.826 58.020 56.100 0.157 0.000 0.943 302 R CB -0.430 29.989 30.300 0.198 0.000 0.846 302 R HN 0.326 nan 8.270 nan 0.000 0.431 303 D N -0.214 120.330 120.400 0.240 0.000 2.133 303 D HA -0.224 4.393 4.640 -0.037 0.000 0.192 303 D C 1.643 178.087 176.300 0.240 0.000 1.001 303 D CA 1.337 55.480 54.000 0.239 0.000 0.844 303 D CB -0.379 40.520 40.800 0.165 0.000 0.944 303 D HN 0.248 nan 8.370 nan 0.000 0.447 304 Y N 0.691 121.044 120.300 0.088 0.000 2.293 304 Y HA -0.090 4.438 4.550 -0.038 0.000 0.291 304 Y C 2.174 178.158 175.900 0.140 0.000 1.137 304 Y CA 0.999 59.136 58.100 0.061 0.000 1.202 304 Y CB -0.131 38.302 38.460 -0.045 0.000 0.990 304 Y HN -0.060 nan 8.280 nan 0.000 0.537 305 I N -1.596 119.125 120.570 0.251 0.000 2.233 305 I HA -0.310 3.837 4.170 -0.037 0.000 0.243 305 I C 1.950 178.036 176.117 -0.051 0.000 1.093 305 I CA 1.437 62.815 61.300 0.129 0.000 1.380 305 I CB -0.530 37.460 38.000 -0.017 0.000 1.067 305 I HN 0.258 nan 8.210 nan 0.000 0.413 306 W N 1.186 122.512 121.300 0.043 0.000 2.338 306 W HA -0.239 4.399 4.660 -0.036 0.000 0.304 306 W C 2.647 179.152 176.519 -0.023 0.000 1.212 306 W CA 1.307 58.654 57.345 0.003 0.000 1.264 306 W CB -0.475 28.987 29.460 0.003 0.000 1.142 306 W HN 0.193 nan 8.180 nan 0.000 0.512 307 N N -0.263 118.538 118.700 0.168 0.000 2.104 307 N HA -0.180 4.538 4.740 -0.037 0.000 0.190 307 N C 1.451 176.966 175.510 0.010 0.000 1.024 307 N CA 2.316 55.394 53.050 0.046 0.000 0.853 307 N CB -0.475 37.974 38.487 -0.062 0.000 1.008 307 N HN 0.064 nan 8.380 nan 0.000 0.424 308 T N 1.956 116.494 114.554 -0.027 0.000 2.674 308 T HA -0.053 4.275 4.350 -0.037 0.000 0.265 308 T C 2.077 176.782 174.700 0.008 0.000 1.039 308 T CA 1.055 63.158 62.100 0.005 0.000 1.150 308 T CB -0.203 68.715 68.868 0.082 0.000 0.864 308 T HN 0.193 nan 8.240 nan 0.000 0.427 309 L N 1.122 122.347 121.223 0.003 0.000 2.083 309 L HA -0.098 4.220 4.340 -0.037 0.000 0.209 309 L C 2.392 179.317 176.870 0.091 0.000 1.083 309 L CA 0.967 55.814 54.840 0.012 0.000 0.752 309 L CB -0.541 41.484 42.059 -0.057 0.000 0.899 309 L HN 0.213 nan 8.230 nan 0.000 0.433 310 N N -0.741 118.043 118.700 0.141 0.000 2.459 310 N HA -0.077 4.641 4.740 -0.037 0.000 0.181 310 N C 1.553 177.099 175.510 0.060 0.000 1.046 310 N CA 0.738 53.859 53.050 0.118 0.000 0.904 310 N CB 0.089 38.652 38.487 0.126 0.000 0.964 310 N HN 0.138 nan 8.380 nan 0.000 0.444 311 S N -0.594 115.133 115.700 0.044 0.000 2.634 311 S HA 0.231 4.679 4.470 -0.037 0.000 0.221 311 S C 1.121 175.733 174.600 0.020 0.000 0.952 311 S CA 0.240 58.455 58.200 0.026 0.000 0.930 311 S CB 0.178 63.389 63.200 0.018 0.000 0.780 311 S HN 0.512 nan 8.310 nan 0.000 0.498 312 G N 2.413 111.226 108.800 0.020 0.000 2.198 312 G HA2 -0.266 3.671 3.960 -0.037 0.000 0.257 312 G HA3 -0.266 3.671 3.960 -0.037 0.000 0.257 312 G C -0.097 174.804 174.900 0.002 0.000 1.042 312 G CA -0.118 44.989 45.100 0.011 0.000 0.791 312 G HN 0.508 nan 8.290 nan 0.000 0.502 313 R N -1.136 119.361 120.500 -0.004 0.000 2.873 313 R HA 0.789 5.107 4.340 -0.037 0.000 0.264 313 R C 0.372 176.639 176.300 -0.054 0.000 1.026 313 R CA -0.517 55.572 56.100 -0.018 0.000 1.002 313 R CB 1.876 32.175 30.300 -0.002 0.000 1.174 313 R HN 0.591 nan 8.270 nan 0.000 0.488 314 V N -1.510 118.359 119.914 -0.076 0.000 2.834 314 V HA 0.510 4.608 4.120 -0.037 0.000 0.313 314 V C -0.036 175.922 176.094 -0.227 0.000 1.060 314 V CA -0.874 61.354 62.300 -0.120 0.000 0.989 314 V CB 1.816 33.586 31.823 -0.088 0.000 1.041 314 V HN 0.410 nan 8.190 nan 0.000 0.459 315 V N 5.319 125.061 119.914 -0.286 0.000 2.368 315 V HA 0.344 4.442 4.120 -0.037 0.000 0.266 315 V C -1.873 174.001 176.094 -0.367 0.000 1.045 315 V CA -1.258 60.729 62.300 -0.521 0.000 0.899 315 V CB 0.790 32.313 31.823 -0.501 0.000 1.006 315 V HN 0.962 nan 8.190 nan 0.000 0.470 316 P HA 0.222 nan 4.420 nan 0.000 0.269 316 P C 0.903 178.202 177.300 -0.001 0.000 1.209 316 P CA 0.783 63.793 63.100 -0.150 0.000 0.776 316 P CB 0.787 32.436 31.700 -0.085 0.000 0.876 317 G N 0.223 109.054 108.800 0.052 0.000 2.162 317 G HA2 -0.242 3.696 3.960 -0.037 0.000 0.260 317 G HA3 -0.242 3.696 3.960 -0.037 0.000 0.260 317 G C -0.513 174.300 174.900 -0.144 0.000 0.976 317 G CA -0.049 45.065 45.100 0.023 0.000 0.655 317 G HN 0.493 nan 8.290 nan 0.000 0.533 318 Y N 0.037 120.296 120.300 -0.067 0.000 2.446 318 Y HA 0.583 5.110 4.550 -0.037 0.000 0.345 318 Y C 0.820 176.696 175.900 -0.040 0.000 0.984 318 Y CA 0.099 58.156 58.100 -0.072 0.000 1.058 318 Y CB 2.198 40.582 38.460 -0.127 0.000 1.220 318 Y HN 1.266 nan 8.280 nan 0.000 0.455 319 G N 2.075 110.937 108.800 0.103 0.000 2.699 319 G HA2 0.072 4.009 3.960 -0.037 0.000 0.686 319 G HA3 0.072 4.009 3.960 -0.037 0.000 0.686 319 G C -1.708 173.290 174.900 0.163 0.000 1.301 319 G CA -0.725 44.433 45.100 0.097 0.000 0.816 319 G HN 0.971 nan 8.290 nan 0.000 0.595 320 H N -0.449 118.645 119.070 0.039 0.000 3.060 320 H HA 0.547 5.082 4.556 -0.035 0.000 0.330 320 H C 0.949 176.302 175.328 0.042 0.000 1.305 320 H CA 0.282 56.361 56.048 0.051 0.000 1.209 320 H CB 1.622 31.428 29.762 0.074 0.000 1.913 320 H HN 1.232 nan 8.280 nan 0.000 0.534 321 A N 2.620 125.260 122.820 -0.301 0.000 1.968 321 A HA 0.001 4.299 4.320 -0.037 0.000 0.217 321 A C 1.368 178.992 177.584 0.067 0.000 1.169 321 A CA 2.088 54.060 52.037 -0.109 0.000 0.638 321 A CB -0.098 18.791 19.000 -0.184 0.000 0.812 321 A HN 0.283 nan 8.150 nan 0.000 0.446 322 V N -1.039 119.057 119.914 0.303 0.000 3.090 322 V HA 0.209 4.307 4.120 -0.037 0.000 0.237 322 V C 0.960 177.185 176.094 0.218 0.000 1.209 322 V CA -0.193 62.251 62.300 0.240 0.000 1.209 322 V CB -0.472 31.464 31.823 0.188 0.000 0.971 322 V HN 0.383 nan 8.190 nan 0.000 0.477 323 L N 1.359 122.747 121.223 0.276 0.000 2.485 323 L HA 0.124 4.441 4.340 -0.037 0.000 0.275 323 L C 1.408 178.354 176.870 0.127 0.000 1.207 323 L CA 0.304 55.164 54.840 0.035 0.000 0.855 323 L CB 0.325 42.251 42.059 -0.223 0.000 1.114 323 L HN 0.202 nan 8.230 nan 0.000 0.485 324 R N 1.778 122.343 120.500 0.108 0.000 2.476 324 R HA 0.293 4.611 4.340 -0.037 0.000 0.276 324 R C -0.383 176.090 176.300 0.288 0.000 0.941 324 R CA 0.064 56.272 56.100 0.180 0.000 1.088 324 R CB 0.502 30.875 30.300 0.122 0.000 1.216 324 R HN 0.496 nan 8.270 nan 0.000 0.533 325 K N 0.072 120.556 120.400 0.140 0.000 2.439 325 K HA 0.346 4.644 4.320 -0.037 0.000 0.260 325 K C -0.481 176.047 176.600 -0.121 0.000 1.032 325 K CA -0.713 55.489 56.287 -0.143 0.000 0.882 325 K CB 1.185 33.561 32.500 -0.206 0.000 1.420 325 K HN -0.277 nan 8.250 nan 0.000 0.455 326 T N 2.042 116.381 114.554 -0.359 0.000 2.866 326 T HA -0.074 4.253 4.350 -0.037 0.000 0.293 326 T C 0.064 174.703 174.700 -0.102 0.000 1.005 326 T CA 0.377 62.388 62.100 -0.148 0.000 1.162 326 T CB -0.047 68.716 68.868 -0.175 0.000 0.968 326 T HN 0.301 nan 8.240 nan 0.000 0.530 327 D N 4.634 124.983 120.400 -0.085 0.000 2.434 327 D HA 0.030 4.647 4.640 -0.037 0.000 0.252 327 D C -1.118 175.170 176.300 -0.020 0.000 1.185 327 D CA -2.027 51.930 54.000 -0.071 0.000 0.886 327 D CB 1.183 41.928 40.800 -0.092 0.000 1.148 327 D HN 0.183 nan 8.370 nan 0.000 0.483 328 P HA -0.128 nan 4.420 nan 0.000 0.221 328 P C 1.096 178.369 177.300 -0.045 0.000 1.145 328 P CA 0.975 64.055 63.100 -0.034 0.000 0.795 328 P CB 0.278 31.951 31.700 -0.044 0.000 0.775 329 R N -1.819 118.638 120.500 -0.072 0.000 2.115 329 R HA -0.135 4.183 4.340 -0.037 0.000 0.230 329 R C 2.464 178.688 176.300 -0.127 0.000 1.111 329 R CA 0.991 57.008 56.100 -0.138 0.000 0.976 329 R CB -0.860 29.293 30.300 -0.244 0.000 0.870 329 R HN 0.232 nan 8.270 nan 0.000 0.445 330 Y N 1.477 121.669 120.300 -0.179 0.000 2.133 330 Y HA -0.196 4.331 4.550 -0.038 0.000 0.287 330 Y C 2.254 178.049 175.900 -0.175 0.000 1.134 330 Y CA 1.833 59.842 58.100 -0.151 0.000 1.133 330 Y CB -0.443 37.922 38.460 -0.158 0.000 0.987 330 Y HN -0.120 nan 8.280 nan 0.000 0.502 331 T N -0.307 114.217 114.554 -0.050 0.000 2.665 331 T HA -0.322 4.006 4.350 -0.037 0.000 0.268 331 T C 2.092 176.690 174.700 -0.170 0.000 1.035 331 T CA 1.675 63.718 62.100 -0.095 0.000 1.151 331 T CB -1.210 67.660 68.868 0.004 0.000 0.862 331 T HN 0.679 nan 8.240 nan 0.000 0.438 332 C N 1.356 120.573 119.300 -0.139 0.000 2.411 332 C HA -0.082 4.356 4.460 -0.037 0.000 0.279 332 C C 2.678 177.558 174.990 -0.184 0.000 1.288 332 C CA 0.963 59.910 59.018 -0.118 0.000 1.764 332 C CB -1.280 26.412 27.740 -0.081 0.000 1.974 332 C HN 0.550 nan 8.230 nan 0.000 0.498 333 Q N -0.336 119.255 119.800 -0.349 0.000 2.137 333 Q HA -0.116 4.201 4.340 -0.037 0.000 0.198 333 Q C 2.520 178.121 176.000 -0.665 0.000 0.960 333 Q CA 1.139 56.654 55.803 -0.479 0.000 0.847 333 Q CB -0.276 28.124 28.738 -0.564 0.000 0.915 333 Q HN 0.698 nan 8.270 nan 0.000 0.448 334 R N 1.406 121.397 120.500 -0.848 0.000 2.080 334 R HA -0.215 4.102 4.340 -0.037 0.000 0.236 334 R C 2.301 178.476 176.300 -0.209 0.000 1.137 334 R CA 1.911 57.703 56.100 -0.512 0.000 0.943 334 R CB -0.198 29.941 30.300 -0.269 0.000 0.846 334 R HN 0.350 nan 8.270 nan 0.000 0.431 335 E N -0.300 119.808 120.200 -0.153 0.000 2.097 335 E HA -0.273 4.055 4.350 -0.037 0.000 0.196 335 E C 1.882 178.430 176.600 -0.087 0.000 1.000 335 E CA 1.523 57.872 56.400 -0.085 0.000 0.804 335 E CB -0.653 29.016 29.700 -0.052 0.000 0.740 335 E HN 0.462 nan 8.360 nan 0.000 0.454 336 F N 1.828 121.670 119.950 -0.181 0.000 2.186 336 F HA -0.002 4.504 4.527 -0.035 0.000 0.299 336 F C 2.429 178.144 175.800 -0.143 0.000 1.090 336 F CA 1.498 59.448 58.000 -0.083 0.000 1.307 336 F CB -0.370 38.602 39.000 -0.047 0.000 1.019 336 F HN 0.149 nan 8.300 nan 0.000 0.489 337 A N 0.562 123.324 122.820 -0.097 0.000 1.873 337 A HA -0.123 4.174 4.320 -0.037 0.000 0.215 337 A C 2.266 179.490 177.584 -0.600 0.000 1.186 337 A CA 1.683 53.437 52.037 -0.472 0.000 0.616 337 A CB -1.199 17.169 19.000 -1.054 0.000 0.823 337 A HN 0.456 nan 8.150 nan 0.000 0.442 338 L N -0.737 120.239 121.223 -0.411 0.000 2.079 338 L HA -0.211 4.107 4.340 -0.037 0.000 0.210 338 L C 2.305 179.013 176.870 -0.270 0.000 1.081 338 L CA 1.316 56.033 54.840 -0.205 0.000 0.752 338 L CB -0.353 41.682 42.059 -0.040 0.000 0.896 338 L HN 0.228 nan 8.230 nan 0.000 0.433 339 K N -1.312 118.834 120.400 -0.423 0.000 2.186 339 K HA 0.005 4.303 4.320 -0.037 0.000 0.202 339 K C 1.792 177.883 176.600 -0.849 0.000 1.052 339 K CA 1.169 57.077 56.287 -0.631 0.000 0.965 339 K CB -0.272 31.732 32.500 -0.827 0.000 0.746 339 K HN 0.436 nan 8.250 nan 0.000 0.457 340 H N -0.625 118.191 119.070 -0.425 0.000 2.855 340 H HA 0.252 4.786 4.556 -0.037 0.000 0.259 340 H C 0.608 175.712 175.328 -0.373 0.000 0.972 340 H CA 0.366 56.193 56.048 -0.367 0.000 1.213 340 H CB 0.726 30.231 29.762 -0.428 0.000 1.451 340 H HN 0.025 nan 8.280 nan 0.000 0.484 341 L N -1.804 119.186 121.223 -0.389 0.000 3.088 341 L HA 0.382 4.700 4.340 -0.037 0.000 0.337 341 L C -2.399 174.274 176.870 -0.327 0.000 1.293 341 L CA -1.242 53.264 54.840 -0.556 0.000 0.784 341 L CB 1.090 42.351 42.059 -1.329 0.000 1.215 341 L HN -0.273 nan 8.230 nan 0.000 0.581 342 P HA -0.102 nan 4.420 nan 0.000 0.220 342 P C 0.974 178.429 177.300 0.259 0.000 1.144 342 P CA 1.233 64.379 63.100 0.077 0.000 0.800 342 P CB 0.224 31.950 31.700 0.043 0.000 0.772 343 S N -1.345 114.431 115.700 0.128 0.000 2.572 343 S HA 0.064 4.512 4.470 -0.037 0.000 0.228 343 S C 0.386 175.078 174.600 0.152 0.000 0.963 343 S CA -0.380 57.901 58.200 0.135 0.000 0.939 343 S CB -0.709 62.542 63.200 0.085 0.000 0.804 343 S HN 0.223 nan 8.310 nan 0.000 0.480 344 D N 2.536 123.050 120.400 0.190 0.000 2.390 344 D HA 0.126 4.743 4.640 -0.037 0.000 0.249 344 D C -1.367 175.051 176.300 0.197 0.000 1.144 344 D CA -1.769 52.353 54.000 0.204 0.000 0.880 344 D CB 1.145 42.061 40.800 0.193 0.000 1.182 344 D HN -0.026 nan 8.370 nan 0.000 0.451 345 P HA -0.146 nan 4.420 nan 0.000 0.217 345 P C 1.456 178.805 177.300 0.081 0.000 1.150 345 P CA 1.005 64.154 63.100 0.082 0.000 0.832 345 P CB 0.079 31.814 31.700 0.058 0.000 0.787 346 M N -1.746 117.928 119.600 0.124 0.000 2.132 346 M HA -0.113 4.345 4.480 -0.037 0.000 0.263 346 M C 2.012 178.406 176.300 0.158 0.000 1.065 346 M CA 1.635 57.011 55.300 0.126 0.000 1.122 346 M CB -0.726 31.967 32.600 0.155 0.000 1.365 346 M HN -0.227 nan 8.290 nan 0.000 0.411 347 F N 1.115 121.099 119.950 0.055 0.000 2.095 347 F HA -0.246 4.258 4.527 -0.038 0.000 0.298 347 F C 1.822 177.652 175.800 0.050 0.000 1.104 347 F CA 1.911 59.938 58.000 0.046 0.000 1.232 347 F CB -0.604 38.422 39.000 0.044 0.000 0.987 347 F HN 0.049 nan 8.300 nan 0.000 0.475 348 K N -0.140 120.147 120.400 -0.188 0.000 2.103 348 K HA -0.179 4.119 4.320 -0.037 0.000 0.207 348 K C 1.962 178.452 176.600 -0.183 0.000 1.048 348 K CA 1.523 57.626 56.287 -0.308 0.000 0.930 348 K CB -0.606 31.822 32.500 -0.120 0.000 0.716 348 K HN 0.292 nan 8.250 nan 0.000 0.444 349 L N 0.870 122.051 121.223 -0.071 0.000 2.017 349 L HA -0.142 4.175 4.340 -0.037 0.000 0.208 349 L C 1.981 178.858 176.870 0.010 0.000 1.073 349 L CA 1.528 56.353 54.840 -0.025 0.000 0.745 349 L CB -0.448 41.609 42.059 -0.002 0.000 0.894 349 L HN -0.078 nan 8.230 nan 0.000 0.432 350 V N 0.238 120.160 119.914 0.014 0.000 2.392 350 V HA -0.328 3.770 4.120 -0.037 0.000 0.249 350 V C 2.810 178.949 176.094 0.075 0.000 1.059 350 V CA 1.666 64.001 62.300 0.059 0.000 1.051 350 V CB -1.415 30.390 31.823 -0.029 0.000 0.658 350 V HN 0.624 nan 8.190 nan 0.000 0.455 351 A N -0.985 121.772 122.820 -0.105 0.000 1.902 351 A HA -0.300 3.998 4.320 -0.037 0.000 0.217 351 A C 2.254 179.894 177.584 0.093 0.000 1.181 351 A CA 2.030 54.036 52.037 -0.051 0.000 0.623 351 A CB -0.524 18.240 19.000 -0.394 0.000 0.818 351 A HN 0.590 nan 8.150 nan 0.000 0.443 352 Q N -0.525 119.290 119.800 0.025 0.000 2.167 352 Q HA -0.083 4.235 4.340 -0.037 0.000 0.202 352 Q C 1.897 177.967 176.000 0.116 0.000 0.970 352 Q CA 1.195 57.029 55.803 0.051 0.000 0.855 352 Q CB -0.207 28.536 28.738 0.009 0.000 0.911 352 Q HN 0.693 nan 8.270 nan 0.000 0.438 353 L N -0.349 120.976 121.223 0.169 0.000 2.141 353 L HA -0.182 4.136 4.340 -0.037 0.000 0.209 353 L C 2.286 179.341 176.870 0.309 0.000 1.094 353 L CA 0.759 55.727 54.840 0.213 0.000 0.763 353 L CB -0.512 41.714 42.059 0.278 0.000 0.908 353 L HN 0.334 nan 8.230 nan 0.000 0.437 354 Y N 1.375 121.818 120.300 0.239 0.000 2.256 354 Y HA -0.243 4.285 4.550 -0.036 0.000 0.288 354 Y C 2.298 178.326 175.900 0.214 0.000 1.155 354 Y CA 1.332 59.609 58.100 0.296 0.000 1.203 354 Y CB -0.217 38.450 38.460 0.345 0.000 0.980 354 Y HN 0.102 nan 8.280 nan 0.000 0.530 355 K N -0.810 119.654 120.400 0.108 0.000 2.296 355 K HA 0.031 4.329 4.320 -0.037 0.000 0.200 355 K C 1.820 178.429 176.600 0.015 0.000 1.048 355 K CA 1.221 57.501 56.287 -0.012 0.000 0.966 355 K CB 0.191 32.694 32.500 0.004 0.000 0.754 355 K HN 0.327 nan 8.250 nan 0.000 0.466 356 I N -0.604 119.990 120.570 0.040 0.000 2.899 356 I HA -0.137 4.011 4.170 -0.037 0.000 0.257 356 I C 1.975 178.046 176.117 -0.077 0.000 1.115 356 I CA 0.218 61.516 61.300 -0.003 0.000 1.451 356 I CB -0.087 37.922 38.000 0.015 0.000 1.251 356 I HN -0.197 nan 8.210 nan 0.000 0.456 357 V N 2.323 122.158 119.914 -0.133 0.000 2.250 357 V HA -0.220 3.877 4.120 -0.037 0.000 0.250 357 V C -0.415 175.466 176.094 -0.355 0.000 1.060 357 V CA 2.446 64.523 62.300 -0.371 0.000 1.030 357 V CB -2.132 29.173 31.823 -0.863 0.000 0.643 357 V HN 0.297 nan 8.190 nan 0.000 0.445 358 P HA -0.122 nan 4.420 nan 0.000 0.218 358 P C 1.125 178.254 177.300 -0.285 0.000 1.148 358 P CA 1.653 64.586 63.100 -0.279 0.000 0.822 358 P CB -0.243 31.290 31.700 -0.278 0.000 0.784 359 N N -0.985 117.608 118.700 -0.179 0.000 2.135 359 N HA -0.085 4.632 4.740 -0.037 0.000 0.186 359 N C 1.633 177.069 175.510 -0.122 0.000 1.027 359 N CA 0.746 53.724 53.050 -0.121 0.000 0.849 359 N CB -0.724 37.733 38.487 -0.049 0.000 1.002 359 N HN -0.125 nan 8.380 nan 0.000 0.425 360 V N 1.709 121.517 119.914 -0.178 0.000 2.287 360 V HA -0.233 3.864 4.120 -0.037 0.000 0.248 360 V C 2.224 178.118 176.094 -0.332 0.000 1.053 360 V CA 1.512 63.647 62.300 -0.276 0.000 1.027 360 V CB -0.664 30.860 31.823 -0.498 0.000 0.646 360 V HN 0.321 nan 8.190 nan 0.000 0.447 361 L N -1.001 120.016 121.223 -0.343 0.000 2.042 361 L HA -0.244 4.073 4.340 -0.037 0.000 0.210 361 L C 2.461 179.217 176.870 -0.191 0.000 1.076 361 L CA 1.632 56.297 54.840 -0.293 0.000 0.749 361 L CB -0.537 41.351 42.059 -0.285 0.000 0.893 361 L HN 0.311 nan 8.230 nan 0.000 0.432 362 L N -0.203 120.910 121.223 -0.184 0.000 2.046 362 L HA -0.248 4.070 4.340 -0.037 0.000 0.208 362 L C 2.728 179.575 176.870 -0.038 0.000 1.077 362 L CA 1.689 56.454 54.840 -0.124 0.000 0.747 362 L CB -0.428 41.554 42.059 -0.128 0.000 0.896 362 L HN 0.374 nan 8.230 nan 0.000 0.432 363 E N -0.218 119.984 120.200 0.004 0.000 2.077 363 E HA -0.328 3.999 4.350 -0.037 0.000 0.193 363 E C 2.136 178.856 176.600 0.200 0.000 0.989 363 E CA 1.446 57.921 56.400 0.125 0.000 0.800 363 E CB -0.251 29.581 29.700 0.220 0.000 0.746 363 E HN 0.524 nan 8.360 nan 0.000 0.452 364 Q N 0.144 120.050 119.800 0.177 0.000 2.170 364 Q HA -0.122 4.195 4.340 -0.037 0.000 0.203 364 Q C 1.245 177.311 176.000 0.110 0.000 0.976 364 Q CA 1.509 57.456 55.803 0.241 0.000 0.858 364 Q CB -0.255 28.491 28.738 0.013 0.000 0.907 364 Q HN 0.571 nan 8.270 nan 0.000 0.433 365 G N 0.312 109.133 108.800 0.037 0.000 2.148 365 G HA2 -0.322 3.616 3.960 -0.037 0.000 0.254 365 G HA3 -0.322 3.616 3.960 -0.037 0.000 0.254 365 G C 0.709 175.609 174.900 0.001 0.000 0.981 365 G CA 0.807 45.917 45.100 0.016 0.000 0.670 365 G HN 0.400 nan 8.290 nan 0.000 0.528 366 K N -0.117 120.275 120.400 -0.013 0.000 2.225 366 K HA 0.562 4.859 4.320 -0.037 0.000 0.204 366 K C 1.769 178.351 176.600 -0.030 0.000 1.047 366 K CA 0.499 56.776 56.287 -0.017 0.000 0.970 366 K CB 0.170 32.663 32.500 -0.012 0.000 0.939 366 K HN 0.585 nan 8.250 nan 0.000 0.472 367 A N 2.380 125.169 122.820 -0.052 0.000 2.546 367 A HA -0.036 4.262 4.320 -0.037 0.000 0.243 367 A C 0.695 178.252 177.584 -0.045 0.000 1.063 367 A CA 0.344 52.349 52.037 -0.053 0.000 0.757 367 A CB 0.295 19.248 19.000 -0.079 0.000 0.991 367 A HN 0.197 nan 8.150 nan 0.000 0.503 368 K N 1.147 121.535 120.400 -0.019 0.000 2.062 368 K HA -0.087 4.211 4.320 -0.037 0.000 0.205 368 K C 0.287 176.888 176.600 0.003 0.000 1.051 368 K CA 1.078 57.364 56.287 -0.000 0.000 0.941 368 K CB -0.056 32.457 32.500 0.021 0.000 0.719 368 K HN 0.749 nan 8.250 nan 0.000 0.440 369 N N 1.223 119.928 118.700 0.009 0.000 2.518 369 N HA 0.102 4.820 4.740 -0.037 0.000 0.254 369 N C -2.270 173.180 175.510 -0.101 0.000 0.979 369 N CA -2.128 50.935 53.050 0.023 0.000 0.930 369 N CB 1.576 40.150 38.487 0.146 0.000 1.152 369 N HN -0.185 nan 8.380 nan 0.000 0.505 370 P HA 0.103 nan 4.420 nan 0.000 0.249 370 P C -0.385 176.695 177.300 -0.366 0.000 1.229 370 P CA 0.169 62.993 63.100 -0.460 0.000 0.788 370 P CB 0.018 31.301 31.700 -0.696 0.000 1.072 371 W N 2.375 123.751 121.300 0.128 0.000 2.215 371 W HA 0.320 4.956 4.660 -0.039 0.000 0.342 371 W C -1.838 174.592 176.519 -0.149 0.000 1.237 371 W CA -2.587 54.803 57.345 0.074 0.000 1.283 371 W CB -0.468 29.001 29.460 0.014 0.000 1.131 371 W HN -0.162 nan 8.180 nan 0.000 0.606 372 P HA 0.120 nan 4.420 nan 0.000 0.276 372 P C -1.025 175.976 177.300 -0.497 0.000 1.244 372 P CA -0.405 62.115 63.100 -0.967 0.000 0.801 372 P CB 0.902 31.570 31.700 -1.719 0.000 1.006 373 N N -0.979 117.501 118.700 -0.367 0.000 2.457 373 N HA 0.199 4.917 4.740 -0.037 0.000 0.290 373 N C 0.858 176.342 175.510 -0.044 0.000 1.232 373 N CA -1.046 51.933 53.050 -0.117 0.000 0.852 373 N CB 0.045 38.562 38.487 0.050 0.000 1.313 373 N HN 0.025 nan 8.380 nan 0.000 0.522 374 V N -0.024 119.873 119.914 -0.029 0.000 2.363 374 V HA -0.310 3.787 4.120 -0.037 0.000 0.254 374 V C 0.798 176.920 176.094 0.047 0.000 1.074 374 V CA 2.356 64.625 62.300 -0.052 0.000 1.069 374 V CB -0.705 30.950 31.823 -0.281 0.000 0.659 374 V HN 0.697 nan 8.190 nan 0.000 0.455 375 D N -0.124 120.329 120.400 0.089 0.000 2.312 375 D HA -0.029 4.588 4.640 -0.037 0.000 0.211 375 D C 2.099 178.501 176.300 0.171 0.000 0.964 375 D CA 1.214 55.309 54.000 0.158 0.000 0.877 375 D CB -0.050 40.874 40.800 0.207 0.000 0.924 375 D HN 0.612 nan 8.370 nan 0.000 0.515 376 A N 0.211 123.111 122.820 0.134 0.000 2.015 376 A HA -0.178 4.119 4.320 -0.037 0.000 0.219 376 A C 1.913 179.640 177.584 0.239 0.000 1.163 376 A CA 1.170 53.299 52.037 0.154 0.000 0.646 376 A CB -0.334 18.624 19.000 -0.070 0.000 0.806 376 A HN 0.219 nan 8.150 nan 0.000 0.448 377 H N -0.750 118.445 119.070 0.208 0.000 2.740 377 H HA 0.104 4.637 4.556 -0.038 0.000 0.265 377 H C 2.264 177.624 175.328 0.053 0.000 0.978 377 H CA 1.024 57.122 56.048 0.083 0.000 1.198 377 H CB 0.412 30.060 29.762 -0.189 0.000 1.467 377 H HN 0.637 nan 8.280 nan 0.000 0.511 378 S N -0.914 114.914 115.700 0.215 0.000 2.357 378 S HA -0.056 4.391 4.470 -0.037 0.000 0.221 378 S C 2.383 177.055 174.600 0.121 0.000 1.031 378 S CA 0.975 59.269 58.200 0.157 0.000 0.982 378 S CB -0.782 62.490 63.200 0.121 0.000 0.853 378 S HN 0.327 nan 8.310 nan 0.000 0.458 379 G N 1.077 109.962 108.800 0.142 0.000 2.432 379 G HA2 -0.084 3.854 3.960 -0.037 0.000 0.219 379 G HA3 -0.084 3.854 3.960 -0.037 0.000 0.219 379 G C 1.424 176.417 174.900 0.156 0.000 1.135 379 G CA 0.771 45.909 45.100 0.063 0.000 0.767 379 G HN 0.439 nan 8.290 nan 0.000 0.550 380 V N 0.805 120.844 119.914 0.208 0.000 2.407 380 V HA -0.131 3.967 4.120 -0.037 0.000 0.248 380 V C 2.888 179.111 176.094 0.215 0.000 1.055 380 V CA 1.579 64.011 62.300 0.220 0.000 1.049 380 V CB -0.218 31.730 31.823 0.208 0.000 0.662 380 V HN 0.408 nan 8.190 nan 0.000 0.455 381 L N -1.142 120.199 121.223 0.197 0.000 2.072 381 L HA -0.125 4.192 4.340 -0.037 0.000 0.205 381 L C 2.329 179.372 176.870 0.288 0.000 1.079 381 L CA 1.292 56.261 54.840 0.215 0.000 0.752 381 L CB -0.634 41.501 42.059 0.125 0.000 0.906 381 L HN 0.265 nan 8.230 nan 0.000 0.436 382 L N -0.220 121.083 121.223 0.134 0.000 2.046 382 L HA -0.203 4.115 4.340 -0.037 0.000 0.208 382 L C 2.873 179.831 176.870 0.146 0.000 1.077 382 L CA 1.158 56.051 54.840 0.087 0.000 0.747 382 L CB -0.848 41.016 42.059 -0.325 0.000 0.896 382 L HN 0.385 nan 8.230 nan 0.000 0.432 383 Q N 0.465 120.373 119.800 0.179 0.000 2.077 383 Q HA -0.323 3.995 4.340 -0.037 0.000 0.206 383 Q C 2.288 178.357 176.000 0.115 0.000 0.989 383 Q CA 2.283 58.205 55.803 0.198 0.000 0.853 383 Q CB -0.807 28.071 28.738 0.233 0.000 0.907 383 Q HN 0.565 nan 8.270 nan 0.000 0.418 384 Y N 0.553 120.850 120.300 -0.004 0.000 2.151 384 Y HA -0.277 4.250 4.550 -0.038 0.000 0.284 384 Y C 1.450 177.173 175.900 -0.295 0.000 1.166 384 Y CA 2.136 60.136 58.100 -0.166 0.000 1.163 384 Y CB -0.576 37.723 38.460 -0.268 0.000 0.974 384 Y HN 0.179 nan 8.280 nan 0.000 0.511 385 Y N -0.355 119.913 120.300 -0.053 0.000 2.490 385 Y HA 0.244 4.771 4.550 -0.038 0.000 0.281 385 Y C 1.919 177.676 175.900 -0.238 0.000 1.174 385 Y CA 0.604 58.582 58.100 -0.204 0.000 1.295 385 Y CB 0.144 38.495 38.460 -0.183 0.000 1.062 385 Y HN 0.278 nan 8.280 nan 0.000 0.522 386 G N -0.096 108.670 108.800 -0.058 0.000 2.184 386 G HA2 -0.279 3.659 3.960 -0.037 0.000 0.206 386 G HA3 -0.279 3.659 3.960 -0.037 0.000 0.206 386 G C 0.393 175.352 174.900 0.097 0.000 0.995 386 G CA -0.064 45.044 45.100 0.013 0.000 0.651 386 G HN 0.267 nan 8.290 nan 0.000 0.511 387 M N 3.382 123.004 119.600 0.038 0.000 2.589 387 M HA 0.413 4.870 4.480 -0.037 0.000 0.340 387 M C 1.558 177.999 176.300 0.236 0.000 1.308 387 M CA 0.610 55.977 55.300 0.111 0.000 1.332 387 M CB 0.102 32.641 32.600 -0.102 0.000 1.219 387 M HN 0.269 nan 8.290 nan 0.000 0.467 388 T N -0.940 113.698 114.554 0.140 0.000 3.107 388 T HA 0.187 4.515 4.350 -0.037 0.000 0.249 388 T C 0.150 174.824 174.700 -0.043 0.000 1.096 388 T CA -0.034 62.124 62.100 0.097 0.000 1.012 388 T CB -0.262 68.618 68.868 0.020 0.000 0.977 388 T HN 0.591 nan 8.240 nan 0.000 0.527 389 E N 3.186 123.311 120.200 -0.126 0.000 1.814 389 E HA 0.183 4.511 4.350 -0.037 0.000 0.264 389 E C 1.619 177.975 176.600 -0.407 0.000 1.179 389 E CA -0.312 55.872 56.400 -0.360 0.000 0.972 389 E CB 0.432 29.604 29.700 -0.879 0.000 1.077 389 E HN 0.467 nan 8.360 nan 0.000 0.417 390 M N 0.907 120.166 119.600 -0.567 0.000 2.279 390 M HA -0.178 4.280 4.480 -0.037 0.000 0.264 390 M C 0.459 176.462 176.300 -0.495 0.000 1.062 390 M CA 1.740 56.453 55.300 -0.977 0.000 1.099 390 M CB -0.338 31.912 32.600 -0.583 0.000 1.394 390 M HN 0.310 nan 8.290 nan 0.000 0.426 391 N N -0.499 118.091 118.700 -0.183 0.000 2.512 391 N HA -0.112 4.606 4.740 -0.037 0.000 0.183 391 N C 1.267 176.784 175.510 0.011 0.000 1.073 391 N CA 0.693 53.715 53.050 -0.046 0.000 0.911 391 N CB -0.062 38.375 38.487 -0.084 0.000 0.964 391 N HN 0.457 nan 8.380 nan 0.000 0.447 392 Y N 0.012 120.308 120.300 -0.007 0.000 2.510 392 Y HA 0.002 4.533 4.550 -0.031 0.000 0.273 392 Y C 1.306 177.399 175.900 0.322 0.000 1.119 392 Y CA 0.265 58.484 58.100 0.199 0.000 1.286 392 Y CB 0.052 38.735 38.460 0.373 0.000 1.061 392 Y HN 0.004 nan 8.280 nan 0.000 0.542 393 Y N 0.303 120.727 120.300 0.208 0.000 2.139 393 Y HA -0.299 4.228 4.550 -0.040 0.000 0.282 393 Y C 2.544 178.510 175.900 0.110 0.000 1.179 393 Y CA 1.540 59.732 58.100 0.154 0.000 1.161 393 Y CB -1.698 36.876 38.460 0.191 0.000 0.970 393 Y HN 0.098 nan 8.280 nan 0.000 0.511 394 T N -0.319 114.403 114.554 0.280 0.000 2.803 394 T HA -0.132 4.196 4.350 -0.037 0.000 0.269 394 T C 2.272 177.034 174.700 0.104 0.000 1.052 394 T CA 1.265 63.492 62.100 0.212 0.000 1.136 394 T CB -0.766 68.192 68.868 0.150 0.000 0.864 394 T HN 0.158 nan 8.240 nan 0.000 0.467 395 V N 1.740 121.616 119.914 -0.063 0.000 2.332 395 V HA -0.178 3.920 4.120 -0.037 0.000 0.248 395 V C 2.481 178.561 176.094 -0.023 0.000 1.055 395 V CA 1.587 63.786 62.300 -0.168 0.000 1.038 395 V CB -0.751 30.694 31.823 -0.630 0.000 0.651 395 V HN 0.483 nan 8.190 nan 0.000 0.450 396 L N -1.429 119.780 121.223 -0.022 0.000 2.046 396 L HA -0.183 4.135 4.340 -0.037 0.000 0.208 396 L C 2.436 179.425 176.870 0.198 0.000 1.077 396 L CA 1.573 56.410 54.840 -0.004 0.000 0.747 396 L CB -0.750 41.065 42.059 -0.407 0.000 0.896 396 L HN 0.304 nan 8.230 nan 0.000 0.432 397 F N 1.407 121.407 119.950 0.083 0.000 2.134 397 F HA -0.083 4.432 4.527 -0.019 0.000 0.299 397 F C 2.237 178.120 175.800 0.138 0.000 1.097 397 F CA 1.102 59.171 58.000 0.116 0.000 1.264 397 F CB -1.010 38.031 39.000 0.068 0.000 1.001 397 F HN -0.016 nan 8.300 nan 0.000 0.479 398 G N 0.080 109.055 108.800 0.292 0.000 2.459 398 G HA2 -0.231 3.707 3.960 -0.037 0.000 0.217 398 G HA3 -0.231 3.707 3.960 -0.037 0.000 0.217 398 G C 1.928 177.051 174.900 0.372 0.000 1.183 398 G CA 1.405 46.635 45.100 0.216 0.000 0.776 398 G HN 0.301 nan 8.290 nan 0.000 0.552 399 V N 0.803 120.874 119.914 0.262 0.000 2.282 399 V HA -0.233 3.865 4.120 -0.037 0.000 0.249 399 V C 3.053 179.320 176.094 0.288 0.000 1.057 399 V CA 2.443 64.854 62.300 0.185 0.000 1.032 399 V CB -0.709 31.106 31.823 -0.013 0.000 0.645 399 V HN 0.497 nan 8.190 nan 0.000 0.447 400 S N -0.388 115.521 115.700 0.349 0.000 2.359 400 S HA -0.275 4.172 4.470 -0.037 0.000 0.224 400 S C 2.175 177.005 174.600 0.384 0.000 1.035 400 S CA 1.940 60.378 58.200 0.397 0.000 1.018 400 S CB -0.356 63.105 63.200 0.434 0.000 0.876 400 S HN 0.467 nan 8.310 nan 0.000 0.448 401 R N 1.564 122.338 120.500 0.456 0.000 2.159 401 R HA 0.117 4.435 4.340 -0.037 0.000 0.237 401 R C 2.126 178.668 176.300 0.403 0.000 1.131 401 R CA 1.528 57.896 56.100 0.446 0.000 0.982 401 R CB -1.244 29.308 30.300 0.419 0.000 0.868 401 R HN 0.447 nan 8.270 nan 0.000 0.453 402 A N 0.451 123.472 122.820 0.334 0.000 1.948 402 A HA -0.167 4.131 4.320 -0.037 0.000 0.220 402 A C 2.155 179.743 177.584 0.007 0.000 1.177 402 A CA 1.662 53.687 52.037 -0.020 0.000 0.636 402 A CB -0.609 18.130 19.000 -0.434 0.000 0.815 402 A HN 0.370 nan 8.150 nan 0.000 0.449 403 L N -0.983 120.288 121.223 0.080 0.000 2.012 403 L HA -0.164 4.153 4.340 -0.037 0.000 0.210 403 L C 2.847 179.893 176.870 0.294 0.000 1.073 403 L CA 1.411 56.350 54.840 0.165 0.000 0.748 403 L CB -0.949 41.221 42.059 0.184 0.000 0.891 403 L HN 0.483 nan 8.230 nan 0.000 0.431 404 G N -0.168 108.809 108.800 0.295 0.000 2.395 404 G HA2 -0.159 3.779 3.960 -0.037 0.000 0.214 404 G HA3 -0.159 3.779 3.960 -0.037 0.000 0.214 404 G C 1.672 176.777 174.900 0.342 0.000 1.177 404 G CA 0.921 46.218 45.100 0.329 0.000 0.794 404 G HN 0.313 nan 8.290 nan 0.000 0.532 405 V N -0.410 119.724 119.914 0.366 0.000 2.407 405 V HA -0.001 4.097 4.120 -0.037 0.000 0.248 405 V C 2.635 178.886 176.094 0.262 0.000 1.055 405 V CA 1.526 64.052 62.300 0.377 0.000 1.049 405 V CB -0.549 31.520 31.823 0.410 0.000 0.662 405 V HN 0.295 nan 8.190 nan 0.000 0.455 406 L N 0.410 121.746 121.223 0.188 0.000 2.217 406 L HA 0.103 4.420 4.340 -0.037 0.000 0.211 406 L C 2.980 179.948 176.870 0.163 0.000 1.107 406 L CA 1.109 56.020 54.840 0.117 0.000 0.783 406 L CB -0.804 41.245 42.059 -0.016 0.000 0.919 406 L HN 0.436 nan 8.230 nan 0.000 0.442 407 A N -0.001 122.941 122.820 0.202 0.000 1.873 407 A HA -0.271 4.027 4.320 -0.037 0.000 0.215 407 A C 2.229 179.886 177.584 0.121 0.000 1.186 407 A CA 1.820 53.924 52.037 0.111 0.000 0.616 407 A CB -0.463 18.544 19.000 0.011 0.000 0.823 407 A HN 0.367 nan 8.150 nan 0.000 0.442 408 Q N -0.652 119.189 119.800 0.067 0.000 2.079 408 Q HA -0.110 4.208 4.340 -0.037 0.000 0.200 408 Q C 1.812 177.866 176.000 0.090 0.000 0.974 408 Q CA 1.572 57.364 55.803 -0.020 0.000 0.840 408 Q CB -0.575 27.922 28.738 -0.401 0.000 0.898 408 Q HN 0.450 nan 8.270 nan 0.000 0.430 409 L N 0.143 121.434 121.223 0.113 0.000 2.021 409 L HA -0.187 4.131 4.340 -0.037 0.000 0.215 409 L C 2.082 178.975 176.870 0.039 0.000 1.074 409 L CA 1.847 56.743 54.840 0.093 0.000 0.760 409 L CB -0.638 41.468 42.059 0.079 0.000 0.889 409 L HN 0.410 nan 8.230 nan 0.000 0.433 410 I N -2.362 118.223 120.570 0.026 0.000 2.226 410 I HA -0.339 3.809 4.170 -0.037 0.000 0.245 410 I C 2.214 178.225 176.117 -0.177 0.000 1.100 410 I CA 1.675 62.957 61.300 -0.030 0.000 1.374 410 I CB -0.486 37.475 38.000 -0.065 0.000 1.057 410 I HN 0.357 nan 8.210 nan 0.000 0.413 411 W N 0.987 122.217 121.300 -0.116 0.000 2.358 411 W HA -0.184 4.450 4.660 -0.042 0.000 0.303 411 W C 2.948 179.256 176.519 -0.352 0.000 1.208 411 W CA 1.353 58.557 57.345 -0.235 0.000 1.274 411 W CB -0.534 28.773 29.460 -0.254 0.000 1.138 411 W HN -0.025 nan 8.180 nan 0.000 0.515 412 S N 0.045 115.685 115.700 -0.101 0.000 2.359 412 S HA -0.188 4.259 4.470 -0.037 0.000 0.224 412 S C 1.825 176.307 174.600 -0.197 0.000 1.035 412 S CA 1.205 59.223 58.200 -0.303 0.000 1.018 412 S CB -0.320 62.916 63.200 0.060 0.000 0.876 412 S HN 0.181 nan 8.310 nan 0.000 0.448 413 R N 1.346 121.831 120.500 -0.026 0.000 2.115 413 R HA 0.210 4.527 4.340 -0.037 0.000 0.226 413 R C 2.440 178.816 176.300 0.127 0.000 1.100 413 R CA 1.077 57.246 56.100 0.115 0.000 0.980 413 R CB -1.145 29.265 30.300 0.184 0.000 0.875 413 R HN 0.450 nan 8.270 nan 0.000 0.445 414 A N 1.149 123.965 122.820 -0.007 0.000 1.930 414 A HA -0.058 4.240 4.320 -0.037 0.000 0.217 414 A C 2.149 179.692 177.584 -0.068 0.000 1.175 414 A CA 1.016 52.981 52.037 -0.120 0.000 0.627 414 A CB -0.419 18.203 19.000 -0.630 0.000 0.815 414 A HN 0.197 nan 8.150 nan 0.000 0.443 415 L N -0.989 120.167 121.223 -0.112 0.000 2.599 415 L HA 0.189 4.506 4.340 -0.037 0.000 0.230 415 L C 1.474 178.363 176.870 0.031 0.000 1.141 415 L CA 0.418 55.210 54.840 -0.080 0.000 0.877 415 L CB -0.350 41.556 42.059 -0.254 0.000 1.009 415 L HN 0.562 nan 8.230 nan 0.000 0.447 416 G N 0.130 108.965 108.800 0.059 0.000 2.272 416 G HA2 -0.280 3.658 3.960 -0.037 0.000 0.280 416 G HA3 -0.280 3.658 3.960 -0.037 0.000 0.280 416 G C 0.018 175.109 174.900 0.318 0.000 1.067 416 G CA -0.487 44.722 45.100 0.181 0.000 0.902 416 G HN 0.053 nan 8.290 nan 0.000 0.500 417 F N 0.945 120.975 119.950 0.133 0.000 2.529 417 F HA 0.338 4.839 4.527 -0.044 0.000 0.365 417 F C -0.271 175.583 175.800 0.090 0.000 1.102 417 F CA -2.057 56.009 58.000 0.110 0.000 1.271 417 F CB 0.261 39.326 39.000 0.109 0.000 1.120 417 F HN 0.131 nan 8.300 nan 0.000 0.579 418 P HA 0.215 nan 4.420 nan 0.000 0.297 418 P C -0.688 176.676 177.300 0.107 0.000 1.307 418 P CA -0.716 62.478 63.100 0.158 0.000 0.773 418 P CB 0.930 32.697 31.700 0.111 0.000 1.265 419 L N 0.356 121.630 121.223 0.085 0.000 2.578 419 L HA -0.030 4.288 4.340 -0.037 0.000 0.279 419 L C 0.626 177.526 176.870 0.050 0.000 1.227 419 L CA 0.581 55.455 54.840 0.057 0.000 0.900 419 L CB -0.656 41.434 42.059 0.053 0.000 1.144 419 L HN 0.377 nan 8.230 nan 0.000 0.496 420 E N 5.622 125.850 120.200 0.047 0.000 2.180 420 E HA 0.245 4.573 4.350 -0.037 0.000 0.283 420 E C -0.677 175.959 176.600 0.060 0.000 1.061 420 E CA -0.537 55.907 56.400 0.072 0.000 0.861 420 E CB 0.395 30.173 29.700 0.130 0.000 1.056 420 E HN 0.401 nan 8.360 nan 0.000 0.407 421 R N 5.536 126.066 120.500 0.049 0.000 3.107 421 R HA 0.262 4.579 4.340 -0.037 0.000 0.251 421 R C -2.671 173.646 176.300 0.027 0.000 1.818 421 R CA -1.314 54.807 56.100 0.035 0.000 1.228 421 R CB 0.634 30.951 30.300 0.029 0.000 1.459 421 R HN 0.610 nan 8.270 nan 0.000 0.520 422 P HA 0.417 nan 4.420 nan 0.000 0.280 422 P C -0.859 176.445 177.300 0.006 0.000 1.272 422 P CA -0.738 62.372 63.100 0.017 0.000 0.819 422 P CB 1.184 32.897 31.700 0.022 0.000 1.122 423 K N 0.507 120.905 120.400 -0.003 0.000 2.172 423 K HA 0.409 4.707 4.320 -0.037 0.000 0.276 423 K C 0.045 176.633 176.600 -0.020 0.000 1.013 423 K CA -0.339 55.942 56.287 -0.009 0.000 0.913 423 K CB 0.437 32.931 32.500 -0.011 0.000 1.055 423 K HN 0.596 nan 8.250 nan 0.000 0.461 424 S N 3.229 118.915 115.700 -0.023 0.000 2.722 424 S HA 0.767 5.215 4.470 -0.037 0.000 0.292 424 S C -0.379 174.195 174.600 -0.043 0.000 1.135 424 S CA -0.843 57.334 58.200 -0.038 0.000 1.003 424 S CB 1.043 64.221 63.200 -0.036 0.000 1.067 424 S HN 0.619 nan 8.310 nan 0.000 0.546 425 M N 1.625 121.188 119.600 -0.062 0.000 2.520 425 M HA 0.499 4.957 4.480 -0.037 0.000 0.283 425 M C -0.799 175.459 176.300 -0.070 0.000 1.237 425 M CA -0.133 55.129 55.300 -0.062 0.000 0.885 425 M CB 2.505 35.056 32.600 -0.081 0.000 1.727 425 M HN 1.020 nan 8.290 nan 0.000 0.468 426 S N 0.224 115.899 115.700 -0.043 0.000 2.690 426 S HA 0.491 4.939 4.470 -0.037 0.000 0.291 426 S C 0.527 175.121 174.600 -0.011 0.000 1.138 426 S CA -0.354 57.831 58.200 -0.025 0.000 1.013 426 S CB 1.288 64.485 63.200 -0.005 0.000 1.053 426 S HN 0.757 nan 8.310 nan 0.000 0.539 427 T N 1.641 116.215 114.554 0.033 0.000 2.746 427 T HA -0.074 4.254 4.350 -0.037 0.000 0.267 427 T C 2.123 176.865 174.700 0.071 0.000 1.039 427 T CA 1.710 63.871 62.100 0.102 0.000 1.142 427 T CB -0.857 68.112 68.868 0.168 0.000 0.866 427 T HN 0.814 nan 8.240 nan 0.000 0.444 428 A N 1.344 124.190 122.820 0.044 0.000 1.877 428 A HA 0.130 4.428 4.320 -0.037 0.000 0.216 428 A C 2.643 180.241 177.584 0.022 0.000 1.186 428 A CA 1.830 53.885 52.037 0.031 0.000 0.620 428 A CB -1.348 17.666 19.000 0.022 0.000 0.822 428 A HN 0.508 nan 8.150 nan 0.000 0.443 429 G N -0.449 108.359 108.800 0.013 0.000 2.422 429 G HA2 -0.130 3.808 3.960 -0.037 0.000 0.218 429 G HA3 -0.130 3.808 3.960 -0.037 0.000 0.218 429 G C 1.481 176.385 174.900 0.008 0.000 1.146 429 G CA 1.205 46.308 45.100 0.006 0.000 0.769 429 G HN 0.439 nan 8.290 nan 0.000 0.547 430 L N 0.412 121.641 121.223 0.010 0.000 2.109 430 L HA 0.141 4.458 4.340 -0.037 0.000 0.207 430 L C 2.625 179.517 176.870 0.037 0.000 1.086 430 L CA 1.674 56.523 54.840 0.016 0.000 0.760 430 L CB -0.405 41.658 42.059 0.006 0.000 0.910 430 L HN 0.312 nan 8.230 nan 0.000 0.437 431 E N -0.530 119.697 120.200 0.046 0.000 2.077 431 E HA -0.302 4.026 4.350 -0.037 0.000 0.193 431 E C 2.056 178.672 176.600 0.027 0.000 0.989 431 E CA 1.427 57.853 56.400 0.043 0.000 0.800 431 E CB -0.064 29.662 29.700 0.042 0.000 0.746 431 E HN 0.459 nan 8.360 nan 0.000 0.452 432 K N 1.085 121.498 120.400 0.021 0.000 2.057 432 K HA -0.183 4.115 4.320 -0.037 0.000 0.207 432 K C 2.048 178.656 176.600 0.013 0.000 1.049 432 K CA 0.984 57.280 56.287 0.015 0.000 0.931 432 K CB -0.311 32.196 32.500 0.011 0.000 0.714 432 K HN 0.025 nan 8.250 nan 0.000 0.440 433 L N 0.856 122.086 121.223 0.012 0.000 2.189 433 L HA -0.149 4.169 4.340 -0.037 0.000 0.214 433 L C 1.521 178.398 176.870 0.012 0.000 1.097 433 L CA 1.834 56.680 54.840 0.009 0.000 0.764 433 L CB -0.300 41.764 42.059 0.007 0.000 0.900 433 L HN 0.353 nan 8.230 nan 0.000 0.436 434 S N -2.347 113.364 115.700 0.017 0.000 2.591 434 S HA 0.565 5.012 4.470 -0.037 0.000 0.235 434 S C 1.251 175.860 174.600 0.015 0.000 1.074 434 S CA 0.318 58.528 58.200 0.017 0.000 0.925 434 S CB 0.882 64.097 63.200 0.025 0.000 0.818 434 S HN 0.583 nan 8.310 nan 0.000 0.535 435 A N -0.261 122.569 122.820 0.016 0.000 3.014 435 A HA 0.448 4.746 4.320 -0.037 0.000 0.217 435 A C 0.806 178.400 177.584 0.015 0.000 2.239 435 A CA 0.491 52.536 52.037 0.013 0.000 1.451 435 A CB -1.093 17.914 19.000 0.011 0.000 0.593 435 A HN 1.808 nan 8.150 nan 0.000 0.476 436 G N -1.549 107.262 108.800 0.020 0.000 2.619 436 G HA2 0.568 4.506 3.960 -0.037 0.000 0.686 436 G HA3 0.568 4.506 3.960 -0.037 0.000 0.686 436 G C 0.310 175.219 174.900 0.015 0.000 1.256 436 G CA 0.506 45.619 45.100 0.022 0.000 0.826 436 G HN 2.239 nan 8.290 nan 0.000 0.619 437 G N 0.000 108.807 108.800 0.012 0.000 5.446 437 G HA2 0.000 3.938 3.960 -0.037 0.000 0.244 437 G HA3 0.000 3.938 3.960 -0.037 0.000 0.244 437 G CA 0.000 45.102 45.100 0.003 0.000 0.502 437 G HN 0.000 nan 8.290 nan 0.000 0.925