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 2o1p_1_B DATA FIRST_RESID 3 DATA SEQUENCE SQKVFGITGP VSTVGATAAE NKLNDSLIQE LKKEGSFETE QETANRVQVL DATA SEQUENCE KILQELAQRF VYEVSKKKNM SDGMARDAGG KIFTYGSYRL GVHGPGSDID DATA SEQUENCE TLVVVPKHVT REDFFTVFDS LLRERKELDE IAPVPDAFVP IIKIKFSGIS DATA SEQUENCE IDLICARLDQ PQVPLSLTLS DKNLLRNLDE KDLRALNGTR VTDEILELVP DATA SEQUENCE KPNVFRIALR AIKLWAQRRA VYANIFGFPG GVAWAMLVAR ICQLYPNACS DATA SEQUENCE AVILNRFFII LSEWNWPQPV ILKPIEDGPL QVRVWNPKIY AQDRSHRMPV DATA SEQUENCE ITPAYPSMCA THNITESTKK VILQEFVRGV QITNDIFSNK KSWANLFEKN DATA SEQUENCE DFFFRYKFYL EITAYTRGSD EQHLKWSGLV ESKVRLLVMK LEVLAGIKIA DATA SEQUENCE HPFTKPFESS YCCPTEDDYE MIQDKYGSHK TETALNALKL VTDENKEXXX DATA SEQUENCE XXDAPKAYLS TMYIGLDFNI ENKKEKVDIH IPCTEFVNLC RSFNEDYGDH DATA SEQUENCE KVFNLALRFV KGYDLPDEVF DENEKRP 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 0.000 174.703 174.600 0.171 0.000 1.055 3 S CA 0.000 58.308 58.200 0.180 0.000 1.107 3 S CB 0.000 63.305 63.200 0.174 0.000 0.593 4 Q N 2.028 121.939 119.800 0.185 0.000 2.256 4 Q HA 0.366 4.706 4.340 0.000 0.000 0.232 4 Q C 0.836 176.800 176.000 -0.060 0.000 0.965 4 Q CA 0.103 55.903 55.803 -0.004 0.000 0.908 4 Q CB 1.454 30.117 28.738 -0.125 0.000 1.209 4 Q HN 0.747 nan 8.270 nan 0.000 0.489 5 K N -0.643 119.705 120.400 -0.086 0.000 2.360 5 K HA -0.090 4.230 4.320 0.000 0.000 0.201 5 K C 1.412 177.929 176.600 -0.137 0.000 1.046 5 K CA 1.475 57.720 56.287 -0.069 0.000 0.945 5 K CB -0.468 32.001 32.500 -0.052 0.000 0.750 5 K HN 0.365 nan 8.250 nan 0.000 0.464 6 V N -1.899 117.825 119.914 -0.317 0.000 3.078 6 V HA -0.056 4.064 4.120 0.000 0.000 0.265 6 V C 1.229 177.100 176.094 -0.372 0.000 1.122 6 V CA 0.882 62.942 62.300 -0.399 0.000 1.141 6 V CB -1.151 30.349 31.823 -0.538 0.000 0.735 6 V HN 0.261 nan 8.190 nan 0.000 0.498 7 F N 1.667 121.616 119.950 -0.002 0.000 2.664 7 F HA 0.647 5.174 4.527 0.000 0.000 0.303 7 F C 1.667 177.466 175.800 -0.002 0.000 1.092 7 F CA 0.212 58.209 58.000 -0.004 0.000 1.305 7 F CB -0.003 38.990 39.000 -0.011 0.000 1.054 7 F HN 0.455 nan 8.300 nan 0.000 0.565 8 G N 2.070 110.941 108.800 0.117 0.000 2.796 8 G HA2 -0.326 3.634 3.960 0.000 0.000 0.226 8 G HA3 -0.326 3.634 3.960 0.000 0.000 0.226 8 G C 0.514 175.467 174.900 0.088 0.000 1.381 8 G CA -0.163 44.989 45.100 0.087 0.000 0.867 8 G HN 0.517 nan 8.290 nan 0.000 0.552 9 I N -2.347 118.268 120.570 0.076 0.000 3.444 9 I HA 0.273 4.443 4.170 0.000 0.000 0.287 9 I C 1.693 177.842 176.117 0.053 0.000 1.302 9 I CA 1.620 62.959 61.300 0.066 0.000 1.368 9 I CB -0.169 37.873 38.000 0.070 0.000 1.048 9 I HN 0.788 nan 8.210 nan 0.000 0.487 10 T N -2.341 112.243 114.554 0.050 0.000 3.170 10 T HA 0.601 4.951 4.350 0.000 0.000 0.288 10 T C 0.843 175.546 174.700 0.005 0.000 0.992 10 T CA 0.081 62.191 62.100 0.018 0.000 0.909 10 T CB -0.055 68.812 68.868 -0.003 0.000 1.133 10 T HN 0.802 nan 8.240 nan 0.000 0.530 11 G N 2.553 111.376 108.800 0.038 0.000 2.796 11 G HA2 -0.027 3.933 3.960 0.000 0.000 0.226 11 G HA3 -0.027 3.933 3.960 0.000 0.000 0.226 11 G C -3.001 171.875 174.900 -0.040 0.000 1.381 11 G CA -0.637 44.472 45.100 0.014 0.000 0.867 11 G HN 0.505 nan 8.290 nan 0.000 0.552 12 P HA 0.487 nan 4.420 nan 0.000 0.276 12 P C 0.995 178.152 177.300 -0.238 0.000 1.252 12 P CA -0.431 62.550 63.100 -0.199 0.000 0.802 12 P CB 1.205 32.720 31.700 -0.308 0.000 1.035 13 V N -0.495 119.189 119.914 -0.384 0.000 2.500 13 V HA 0.016 4.136 4.120 0.000 0.000 0.243 13 V C 1.038 176.963 176.094 -0.282 0.000 1.039 13 V CA 1.728 63.798 62.300 -0.384 0.000 1.053 13 V CB -0.123 31.344 31.823 -0.593 0.000 0.695 13 V HN 0.718 nan 8.190 nan 0.000 0.463 14 S N -0.898 114.616 115.700 -0.310 0.000 2.603 14 S HA 0.278 4.748 4.470 0.000 0.000 0.274 14 S C 0.512 175.082 174.600 -0.048 0.000 1.168 14 S CA 0.125 58.268 58.200 -0.096 0.000 0.963 14 S CB 1.871 65.115 63.200 0.072 0.000 1.078 14 S HN 0.468 nan 8.310 nan 0.000 0.477 15 T N 1.132 115.653 114.554 -0.054 0.000 3.107 15 T HA 0.245 4.595 4.350 0.000 0.000 0.249 15 T C 0.567 175.281 174.700 0.024 0.000 1.096 15 T CA 0.006 62.082 62.100 -0.040 0.000 1.012 15 T CB -0.350 68.456 68.868 -0.103 0.000 0.977 15 T HN 0.411 nan 8.240 nan 0.000 0.527 16 V N 2.113 122.057 119.914 0.051 0.000 2.637 16 V HA 0.545 4.665 4.120 0.000 0.000 0.296 16 V C 1.405 177.550 176.094 0.086 0.000 1.046 16 V CA -0.588 61.749 62.300 0.063 0.000 1.066 16 V CB 0.572 32.433 31.823 0.063 0.000 0.968 16 V HN 0.565 nan 8.190 nan 0.000 0.483 17 G N 2.518 111.361 108.800 0.072 0.000 2.580 17 G HA2 0.529 4.489 3.960 0.000 0.000 0.278 17 G HA3 0.529 4.489 3.960 0.000 0.000 0.278 17 G C 0.123 175.070 174.900 0.079 0.000 1.212 17 G CA -0.147 44.999 45.100 0.077 0.000 0.939 17 G HN 1.177 nan 8.290 nan 0.000 0.513 18 A N 0.189 123.056 122.820 0.079 0.000 2.477 18 A HA 0.528 4.848 4.320 0.000 0.000 0.246 18 A C 1.153 178.776 177.584 0.066 0.000 1.078 18 A CA 0.445 52.530 52.037 0.080 0.000 0.770 18 A CB -0.304 18.742 19.000 0.076 0.000 1.011 18 A HN 1.222 nan 8.150 nan 0.000 0.494 19 T N -0.253 114.344 114.554 0.071 0.000 2.788 19 T HA 0.517 4.867 4.350 0.000 0.000 0.280 19 T C 1.474 176.200 174.700 0.043 0.000 0.984 19 T CA -0.097 62.036 62.100 0.055 0.000 0.972 19 T CB 1.033 69.936 68.868 0.059 0.000 1.039 19 T HN 1.190 nan 8.240 nan 0.000 0.530 20 A N 0.788 123.627 122.820 0.032 0.000 1.917 20 A HA 0.071 4.391 4.320 0.000 0.000 0.219 20 A C 2.634 180.227 177.584 0.015 0.000 1.182 20 A CA 2.102 54.152 52.037 0.022 0.000 0.633 20 A CB -1.613 17.397 19.000 0.017 0.000 0.819 20 A HN 1.222 nan 8.150 nan 0.000 0.448 21 A N -0.517 122.312 122.820 0.015 0.000 1.930 21 A HA -0.147 4.173 4.320 0.000 0.000 0.217 21 A C 1.924 179.494 177.584 -0.024 0.000 1.175 21 A CA 1.692 53.727 52.037 -0.004 0.000 0.627 21 A CB -0.473 18.530 19.000 0.005 0.000 0.815 21 A HN 0.640 nan 8.150 nan 0.000 0.443 22 E N -0.133 120.081 120.200 0.023 0.000 2.072 22 E HA -0.134 4.216 4.350 0.000 0.000 0.191 22 E C 1.686 178.304 176.600 0.029 0.000 0.985 22 E CA 0.953 57.377 56.400 0.040 0.000 0.801 22 E CB -0.129 29.656 29.700 0.141 0.000 0.750 22 E HN 0.497 nan 8.360 nan 0.000 0.452 23 N N 0.863 119.583 118.700 0.033 0.000 2.309 23 N HA -0.156 4.584 4.740 0.000 0.000 0.182 23 N C 1.552 177.072 175.510 0.018 0.000 1.018 23 N CA 0.869 53.936 53.050 0.029 0.000 0.876 23 N CB -0.031 38.472 38.487 0.027 0.000 0.972 23 N HN 0.114 nan 8.380 nan 0.000 0.434 24 K N 0.812 121.216 120.400 0.006 0.000 2.062 24 K HA 0.050 4.370 4.320 0.000 0.000 0.205 24 K C 1.966 178.580 176.600 0.024 0.000 1.051 24 K CA 0.548 56.839 56.287 0.007 0.000 0.941 24 K CB 0.001 32.498 32.500 -0.006 0.000 0.719 24 K HN 0.053 nan 8.250 nan 0.000 0.440 25 L N 1.199 122.418 121.223 -0.006 0.000 2.141 25 L HA -0.152 4.188 4.340 0.000 0.000 0.209 25 L C 2.451 179.457 176.870 0.227 0.000 1.094 25 L CA 0.854 55.730 54.840 0.060 0.000 0.763 25 L CB -0.462 41.457 42.059 -0.233 0.000 0.908 25 L HN 0.389 nan 8.230 nan 0.000 0.437 26 N N 0.062 118.819 118.700 0.095 0.000 2.188 26 N HA -0.192 4.548 4.740 0.000 0.000 0.184 26 N C 1.266 176.772 175.510 -0.008 0.000 1.018 26 N CA 1.273 54.343 53.050 0.033 0.000 0.858 26 N CB 0.105 38.608 38.487 0.027 0.000 0.989 26 N HN 0.273 nan 8.380 nan 0.000 0.426 27 D N 0.200 120.613 120.400 0.022 0.000 2.104 27 D HA -0.123 4.517 4.640 0.000 0.000 0.194 27 D C 2.114 178.427 176.300 0.021 0.000 0.994 27 D CA 1.517 55.524 54.000 0.011 0.000 0.830 27 D CB -0.378 40.432 40.800 0.016 0.000 0.959 27 D HN 0.388 nan 8.370 nan 0.000 0.452 28 S N 0.264 116.017 115.700 0.089 0.000 2.402 28 S HA -0.111 4.359 4.470 0.000 0.000 0.229 28 S C 1.993 176.609 174.600 0.027 0.000 1.021 28 S CA 0.363 58.653 58.200 0.150 0.000 0.974 28 S CB -0.479 62.889 63.200 0.280 0.000 0.800 28 S HN 0.203 nan 8.310 nan 0.000 0.484 29 L N 2.003 123.052 121.223 -0.289 0.000 2.012 29 L HA 0.031 4.371 4.340 0.000 0.000 0.210 29 L C 2.168 178.840 176.870 -0.330 0.000 1.073 29 L CA 1.607 55.928 54.840 -0.866 0.000 0.748 29 L CB -0.657 40.716 42.059 -1.143 0.000 0.891 29 L HN 0.324 nan 8.230 nan 0.000 0.431 30 I N -1.020 119.457 120.570 -0.155 0.000 2.226 30 I HA -0.286 3.884 4.170 0.000 0.000 0.245 30 I C 2.528 178.674 176.117 0.049 0.000 1.100 30 I CA 1.132 62.429 61.300 -0.004 0.000 1.374 30 I CB -0.356 37.641 38.000 -0.006 0.000 1.057 30 I HN 0.363 nan 8.210 nan 0.000 0.413 31 Q N 0.867 120.678 119.800 0.017 0.000 2.084 31 Q HA -0.262 4.078 4.340 0.000 0.000 0.202 31 Q C 1.978 178.010 176.000 0.053 0.000 0.978 31 Q CA 1.797 57.625 55.803 0.043 0.000 0.844 31 Q CB -0.204 28.562 28.738 0.046 0.000 0.898 31 Q HN 0.341 nan 8.270 nan 0.000 0.426 32 E N -0.285 119.945 120.200 0.051 0.000 2.077 32 E HA -0.133 4.217 4.350 0.000 0.000 0.193 32 E C 1.725 178.312 176.600 -0.023 0.000 0.989 32 E CA 1.106 57.552 56.400 0.077 0.000 0.800 32 E CB -0.336 29.490 29.700 0.209 0.000 0.746 32 E HN 0.423 nan 8.360 nan 0.000 0.452 33 L N 0.081 121.253 121.223 -0.084 0.000 2.141 33 L HA -0.139 4.201 4.340 0.000 0.000 0.209 33 L C 2.525 179.321 176.870 -0.123 0.000 1.094 33 L CA 1.189 55.901 54.840 -0.212 0.000 0.763 33 L CB -0.292 41.604 42.059 -0.272 0.000 0.908 33 L HN 0.107 nan 8.230 nan 0.000 0.437 34 K N 0.095 120.554 120.400 0.098 0.000 2.025 34 K HA -0.207 4.114 4.320 0.000 0.000 0.207 34 K C 2.166 178.795 176.600 0.049 0.000 1.049 34 K CA 1.100 57.495 56.287 0.180 0.000 0.933 34 K CB -0.055 32.545 32.500 0.167 0.000 0.714 34 K HN 0.134 nan 8.250 nan 0.000 0.438 35 K N 1.095 121.509 120.400 0.023 0.000 2.209 35 K HA -0.136 4.184 4.320 0.000 0.000 0.204 35 K C 1.041 177.625 176.600 -0.028 0.000 1.048 35 K CA 1.163 57.455 56.287 0.008 0.000 0.940 35 K CB 0.245 32.761 32.500 0.026 0.000 0.729 35 K HN 0.049 nan 8.250 nan 0.000 0.451 36 E N -0.340 119.812 120.200 -0.079 0.000 2.437 36 E HA 0.026 4.376 4.350 0.000 0.000 0.189 36 E C 0.592 177.102 176.600 -0.151 0.000 1.054 36 E CA 0.538 56.859 56.400 -0.131 0.000 0.874 36 E CB 0.540 30.103 29.700 -0.228 0.000 1.011 36 E HN 0.561 nan 8.360 nan 0.000 0.474 37 G N 1.804 110.536 108.800 -0.114 0.000 2.160 37 G HA2 -0.352 3.608 3.960 0.000 0.000 0.251 37 G HA3 -0.352 3.608 3.960 0.000 0.000 0.251 37 G C 1.093 175.880 174.900 -0.189 0.000 1.008 37 G CA 0.832 45.867 45.100 -0.108 0.000 0.724 37 G HN 0.351 nan 8.290 nan 0.000 0.514 38 S N -1.214 114.285 115.700 -0.335 0.000 2.382 38 S HA 0.209 4.679 4.470 0.000 0.000 0.228 38 S C 0.951 175.206 174.600 -0.575 0.000 1.027 38 S CA 0.923 58.783 58.200 -0.565 0.000 0.991 38 S CB -0.165 62.486 63.200 -0.916 0.000 0.823 38 S HN 0.452 nan 8.310 nan 0.000 0.469 39 F N 2.014 121.885 119.950 -0.132 0.000 2.422 39 F HA 0.426 4.953 4.527 0.000 0.000 0.333 39 F C 0.424 176.170 175.800 -0.091 0.000 1.095 39 F CA -1.210 56.711 58.000 -0.132 0.000 1.038 39 F CB 1.078 40.013 39.000 -0.109 0.000 1.156 39 F HN 0.182 nan 8.300 nan 0.000 0.483 40 E N -0.243 120.026 120.200 0.115 0.000 2.250 40 E HA 0.446 4.796 4.350 0.000 0.000 0.265 40 E C -0.594 176.058 176.600 0.087 0.000 1.033 40 E CA -0.981 55.472 56.400 0.089 0.000 0.888 40 E CB 1.203 30.964 29.700 0.102 0.000 1.151 40 E HN 0.594 nan 8.360 nan 0.000 0.412 41 T N -1.193 113.400 114.554 0.065 0.000 2.900 41 T HA -0.044 4.306 4.350 0.000 0.000 0.307 41 T C 1.142 175.874 174.700 0.053 0.000 1.065 41 T CA -0.257 61.869 62.100 0.044 0.000 1.105 41 T CB 1.139 70.028 68.868 0.034 0.000 0.979 41 T HN 0.747 nan 8.240 nan 0.000 0.544 42 E N 0.749 120.970 120.200 0.035 0.000 2.418 42 E HA -0.213 4.137 4.350 0.000 0.000 0.197 42 E C 1.593 178.223 176.600 0.051 0.000 1.026 42 E CA 0.779 57.206 56.400 0.044 0.000 0.862 42 E CB -0.091 29.623 29.700 0.023 0.000 0.799 42 E HN 0.697 nan 8.360 nan 0.000 0.518 43 Q N 1.483 121.309 119.800 0.043 0.000 2.049 43 Q HA -0.119 4.221 4.340 0.000 0.000 0.198 43 Q C 1.755 177.789 176.000 0.056 0.000 0.971 43 Q CA 2.083 57.911 55.803 0.042 0.000 0.833 43 Q CB -0.057 28.700 28.738 0.031 0.000 0.896 43 Q HN 0.451 nan 8.270 nan 0.000 0.434 44 E N -1.002 119.237 120.200 0.066 0.000 2.153 44 E HA -0.155 4.195 4.350 0.000 0.000 0.194 44 E C 1.819 178.488 176.600 0.115 0.000 0.988 44 E CA 1.510 57.959 56.400 0.082 0.000 0.811 44 E CB -0.020 29.732 29.700 0.087 0.000 0.746 44 E HN 0.382 nan 8.360 nan 0.000 0.466 45 T N 0.807 115.442 114.554 0.136 0.000 2.737 45 T HA -0.129 4.221 4.350 0.000 0.000 0.265 45 T C 2.048 176.825 174.700 0.129 0.000 1.038 45 T CA 1.181 63.387 62.100 0.177 0.000 1.144 45 T CB -0.234 68.737 68.868 0.172 0.000 0.866 45 T HN 0.258 nan 8.240 nan 0.000 0.434 46 A N 2.628 125.502 122.820 0.089 0.000 1.908 46 A HA -0.188 4.132 4.320 0.000 0.000 0.218 46 A C 2.229 179.849 177.584 0.059 0.000 1.181 46 A CA 1.622 53.700 52.037 0.067 0.000 0.627 46 A CB -0.687 18.342 19.000 0.049 0.000 0.818 46 A HN 0.406 nan 8.150 nan 0.000 0.445 47 N N -0.050 118.684 118.700 0.056 0.000 2.104 47 N HA -0.159 4.581 4.740 0.000 0.000 0.190 47 N C 1.819 177.350 175.510 0.035 0.000 1.024 47 N CA 1.545 54.624 53.050 0.048 0.000 0.853 47 N CB -0.494 38.021 38.487 0.048 0.000 1.008 47 N HN 0.549 nan 8.380 nan 0.000 0.424 48 R N 0.549 121.066 120.500 0.028 0.000 2.082 48 R HA -0.058 4.282 4.340 0.000 0.000 0.234 48 R C 2.220 178.489 176.300 -0.051 0.000 1.136 48 R CA 1.240 57.309 56.100 -0.052 0.000 0.935 48 R CB -0.774 29.483 30.300 -0.072 0.000 0.842 48 R HN 0.019 nan 8.270 nan 0.000 0.430 49 V N 1.360 121.298 119.914 0.041 0.000 2.317 49 V HA -0.320 3.800 4.120 0.000 0.000 0.251 49 V C 2.556 178.657 176.094 0.012 0.000 1.065 49 V CA 1.806 64.137 62.300 0.052 0.000 1.049 49 V CB -0.561 31.311 31.823 0.082 0.000 0.651 49 V HN 0.381 nan 8.190 nan 0.000 0.450 50 Q N -0.519 119.292 119.800 0.019 0.000 2.046 50 Q HA -0.130 4.210 4.340 0.000 0.000 0.200 50 Q C 2.415 178.422 176.000 0.011 0.000 0.975 50 Q CA 1.691 57.508 55.803 0.023 0.000 0.836 50 Q CB -0.499 28.265 28.738 0.043 0.000 0.896 50 Q HN 0.572 nan 8.270 nan 0.000 0.428 51 V N 1.431 121.348 119.914 0.005 0.000 2.332 51 V HA -0.271 3.849 4.120 0.000 0.000 0.248 51 V C 2.420 178.401 176.094 -0.188 0.000 1.055 51 V CA 1.478 63.747 62.300 -0.052 0.000 1.038 51 V CB -0.560 31.249 31.823 -0.025 0.000 0.651 51 V HN 0.301 nan 8.190 nan 0.000 0.450 52 L N -0.503 120.633 121.223 -0.146 0.000 2.217 52 L HA -0.131 4.209 4.340 0.000 0.000 0.211 52 L C 2.484 179.299 176.870 -0.092 0.000 1.107 52 L CA 1.371 56.127 54.840 -0.141 0.000 0.783 52 L CB -0.501 41.484 42.059 -0.123 0.000 0.919 52 L HN 0.308 nan 8.230 nan 0.000 0.442 53 K N 0.804 121.170 120.400 -0.057 0.000 2.155 53 K HA -0.078 4.242 4.320 0.000 0.000 0.203 53 K C 2.025 178.605 176.600 -0.033 0.000 1.052 53 K CA 0.868 57.135 56.287 -0.034 0.000 0.948 53 K CB 0.130 32.624 32.500 -0.010 0.000 0.728 53 K HN 0.242 nan 8.250 nan 0.000 0.448 54 I N 0.806 121.348 120.570 -0.047 0.000 2.286 54 I HA -0.237 3.933 4.170 0.000 0.000 0.245 54 I C 1.933 178.002 176.117 -0.081 0.000 1.104 54 I CA 0.853 62.132 61.300 -0.035 0.000 1.397 54 I CB -0.050 37.962 38.000 0.021 0.000 1.072 54 I HN 0.131 nan 8.210 nan 0.000 0.417 55 L N 0.137 121.264 121.223 -0.161 0.000 2.109 55 L HA -0.200 4.140 4.340 0.000 0.000 0.207 55 L C 2.627 179.504 176.870 0.013 0.000 1.086 55 L CA 0.920 55.690 54.840 -0.117 0.000 0.760 55 L CB -0.535 41.418 42.059 -0.177 0.000 0.910 55 L HN 0.242 nan 8.230 nan 0.000 0.437 56 Q N 1.076 120.864 119.800 -0.020 0.000 2.030 56 Q HA -0.275 4.065 4.340 0.000 0.000 0.204 56 Q C 1.939 177.960 176.000 0.034 0.000 0.986 56 Q CA 2.009 57.810 55.803 -0.004 0.000 0.843 56 Q CB -0.254 28.459 28.738 -0.041 0.000 0.904 56 Q HN 0.433 nan 8.270 nan 0.000 0.420 57 E N -0.524 119.687 120.200 0.019 0.000 2.219 57 E HA -0.161 4.189 4.350 0.000 0.000 0.198 57 E C 1.837 178.480 176.600 0.071 0.000 0.998 57 E CA 1.189 57.608 56.400 0.032 0.000 0.818 57 E CB -0.098 29.611 29.700 0.015 0.000 0.741 57 E HN 0.410 nan 8.360 nan 0.000 0.477 58 L N -0.490 120.790 121.223 0.094 0.000 2.307 58 L HA 0.059 4.399 4.340 0.000 0.000 0.211 58 L C 2.411 179.500 176.870 0.366 0.000 1.099 58 L CA 0.438 55.368 54.840 0.151 0.000 0.816 58 L CB -0.232 41.841 42.059 0.022 0.000 0.952 58 L HN 0.120 nan 8.230 nan 0.000 0.455 59 A N -0.187 122.857 122.820 0.373 0.000 1.930 59 A HA -0.204 4.116 4.320 0.000 0.000 0.217 59 A C 2.193 179.946 177.584 0.282 0.000 1.175 59 A CA 1.223 53.503 52.037 0.406 0.000 0.627 59 A CB -0.273 18.851 19.000 0.207 0.000 0.815 59 A HN 0.421 nan 8.150 nan 0.000 0.443 60 Q N -1.102 118.805 119.800 0.179 0.000 2.046 60 Q HA -0.165 4.175 4.340 0.000 0.000 0.200 60 Q C 2.375 178.484 176.000 0.183 0.000 0.975 60 Q CA 1.575 57.456 55.803 0.129 0.000 0.836 60 Q CB -0.147 28.635 28.738 0.074 0.000 0.896 60 Q HN 0.622 nan 8.270 nan 0.000 0.428 61 R N 0.280 120.899 120.500 0.199 0.000 2.073 61 R HA -0.185 4.155 4.340 0.000 0.000 0.234 61 R C 2.029 178.535 176.300 0.343 0.000 1.134 61 R CA 1.391 57.626 56.100 0.225 0.000 0.952 61 R CB -0.500 29.897 30.300 0.161 0.000 0.850 61 R HN 0.215 nan 8.270 nan 0.000 0.433 62 F N 0.536 120.619 119.950 0.222 0.000 2.027 62 F HA -0.252 4.275 4.527 0.000 0.000 0.297 62 F C 1.892 177.799 175.800 0.179 0.000 1.129 62 F CA 1.904 60.054 58.000 0.251 0.000 1.195 62 F CB -1.045 38.206 39.000 0.418 0.000 0.960 62 F HN -0.119 nan 8.300 nan 0.000 0.485 63 V N -0.144 119.666 119.914 -0.174 0.000 2.469 63 V HA -0.318 3.802 4.120 0.000 0.000 0.251 63 V C 2.172 178.237 176.094 -0.048 0.000 1.064 63 V CA 2.086 64.198 62.300 -0.312 0.000 1.066 63 V CB -1.241 30.444 31.823 -0.230 0.000 0.667 63 V HN 0.620 nan 8.190 nan 0.000 0.461 64 Y N 1.233 121.526 120.300 -0.012 0.000 2.114 64 Y HA -0.234 4.316 4.550 0.000 0.000 0.284 64 Y C 2.553 178.476 175.900 0.037 0.000 1.143 64 Y CA 2.211 60.326 58.100 0.025 0.000 1.135 64 Y CB -0.146 38.339 38.460 0.042 0.000 0.980 64 Y HN 0.319 nan 8.280 nan 0.000 0.499 65 E N -0.776 119.495 120.200 0.118 0.000 2.106 65 E HA -0.201 4.149 4.350 0.000 0.000 0.192 65 E C 2.304 178.903 176.600 -0.001 0.000 0.984 65 E CA 1.287 57.725 56.400 0.064 0.000 0.806 65 E CB -0.355 29.470 29.700 0.207 0.000 0.750 65 E HN 0.411 nan 8.360 nan 0.000 0.458 66 V N 0.730 120.648 119.914 0.006 0.000 2.407 66 V HA -0.248 3.872 4.120 0.000 0.000 0.248 66 V C 1.978 178.068 176.094 -0.007 0.000 1.055 66 V CA 2.102 64.405 62.300 0.004 0.000 1.049 66 V CB -0.167 31.617 31.823 -0.066 0.000 0.662 66 V HN 0.183 nan 8.190 nan 0.000 0.455 67 S N 0.069 115.744 115.700 -0.043 0.000 2.348 67 S HA -0.190 4.280 4.470 0.000 0.000 0.221 67 S C 1.930 176.447 174.600 -0.139 0.000 1.033 67 S CA 1.612 59.778 58.200 -0.056 0.000 1.010 67 S CB -0.387 62.762 63.200 -0.085 0.000 0.891 67 S HN 0.587 nan 8.310 nan 0.000 0.442 68 K N 1.352 121.615 120.400 -0.228 0.000 2.089 68 K HA -0.147 4.173 4.320 0.000 0.000 0.210 68 K C 2.052 178.599 176.600 -0.088 0.000 1.048 68 K CA 1.371 57.544 56.287 -0.190 0.000 0.926 68 K CB -0.303 32.063 32.500 -0.223 0.000 0.714 68 K HN 0.333 nan 8.250 nan 0.000 0.448 69 K N 0.912 121.281 120.400 -0.051 0.000 2.062 69 K HA -0.084 4.236 4.320 0.000 0.000 0.205 69 K C 1.637 178.232 176.600 -0.009 0.000 1.051 69 K CA 0.950 57.230 56.287 -0.011 0.000 0.941 69 K CB -0.005 32.507 32.500 0.020 0.000 0.719 69 K HN -0.116 nan 8.250 nan 0.000 0.440 70 K N 1.309 121.702 120.400 -0.011 0.000 2.668 70 K HA 0.024 4.345 4.320 0.000 0.000 0.204 70 K C -1.007 175.567 176.600 -0.044 0.000 1.016 70 K CA 0.087 56.365 56.287 -0.014 0.000 1.131 70 K CB -0.592 31.911 32.500 0.005 0.000 0.891 70 K HN 0.181 nan 8.250 nan 0.000 0.499 71 N N 0.387 119.059 118.700 -0.048 0.000 2.402 71 N HA -0.195 4.545 4.740 0.000 0.000 0.292 71 N C -1.088 174.370 175.510 -0.087 0.000 1.488 71 N CA 0.968 53.984 53.050 -0.057 0.000 0.667 71 N CB -0.371 38.090 38.487 -0.043 0.000 0.954 71 N HN 0.173 nan 8.380 nan 0.000 0.478 72 M N 0.431 119.970 119.600 -0.101 0.000 2.622 72 M HA 0.407 4.887 4.480 0.000 0.000 0.276 72 M C -0.337 175.907 176.300 -0.094 0.000 1.265 72 M CA -0.798 54.432 55.300 -0.117 0.000 0.850 72 M CB 2.084 34.584 32.600 -0.166 0.000 1.720 72 M HN 0.291 nan 8.290 nan 0.000 0.465 73 S N 0.425 116.080 115.700 -0.075 0.000 2.572 73 S HA 0.004 4.474 4.470 0.000 0.000 0.279 73 S C 0.477 175.053 174.600 -0.040 0.000 1.341 73 S CA -0.210 57.964 58.200 -0.043 0.000 1.043 73 S CB 0.548 63.732 63.200 -0.026 0.000 0.887 73 S HN 0.864 nan 8.310 nan 0.000 0.516 74 D N 1.583 121.984 120.400 0.003 0.000 2.348 74 D HA 0.012 4.652 4.640 0.000 0.000 0.216 74 D C 1.590 177.972 176.300 0.136 0.000 0.970 74 D CA 0.888 54.928 54.000 0.068 0.000 0.889 74 D CB -0.242 40.622 40.800 0.107 0.000 0.912 74 D HN 0.578 nan 8.370 nan 0.000 0.524 75 G N 0.136 108.979 108.800 0.072 0.000 2.437 75 G HA2 -0.127 3.833 3.960 0.000 0.000 0.212 75 G HA3 -0.127 3.833 3.960 0.000 0.000 0.212 75 G C 1.491 176.425 174.900 0.057 0.000 1.174 75 G CA 0.275 45.417 45.100 0.070 0.000 0.811 75 G HN 0.291 nan 8.290 nan 0.000 0.537 76 M N 1.130 120.740 119.600 0.017 0.000 2.460 76 M HA 0.167 4.647 4.480 0.000 0.000 0.263 76 M C 2.494 178.791 176.300 -0.005 0.000 1.071 76 M CA 1.150 56.447 55.300 -0.005 0.000 1.096 76 M CB 0.016 32.591 32.600 -0.040 0.000 1.408 76 M HN 0.286 nan 8.290 nan 0.000 0.463 77 A N 1.509 124.322 122.820 -0.011 0.000 1.897 77 A HA -0.172 4.148 4.320 0.000 0.000 0.215 77 A C 2.099 179.772 177.584 0.148 0.000 1.181 77 A CA 1.589 53.599 52.037 -0.045 0.000 0.620 77 A CB -0.626 18.145 19.000 -0.382 0.000 0.821 77 A HN 0.719 nan 8.150 nan 0.000 0.443 78 R N -0.336 120.334 120.500 0.283 0.000 2.189 78 R HA -0.079 4.261 4.340 0.000 0.000 0.218 78 R C 0.808 177.182 176.300 0.123 0.000 1.074 78 R CA 1.678 57.929 56.100 0.252 0.000 0.991 78 R CB -0.638 29.773 30.300 0.185 0.000 0.883 78 R HN 0.294 nan 8.270 nan 0.000 0.457 79 D N 1.504 121.958 120.400 0.091 0.000 2.218 79 D HA -0.049 4.591 4.640 0.000 0.000 0.204 79 D C 1.789 178.125 176.300 0.059 0.000 0.976 79 D CA 1.484 55.519 54.000 0.058 0.000 0.853 79 D CB 0.058 40.882 40.800 0.040 0.000 0.939 79 D HN 0.466 nan 8.370 nan 0.000 0.481 80 A N -0.205 122.661 122.820 0.077 0.000 2.066 80 A HA 0.325 4.645 4.320 0.000 0.000 0.218 80 A C 1.821 179.433 177.584 0.046 0.000 1.157 80 A CA 1.555 53.644 52.037 0.086 0.000 0.670 80 A CB -0.620 18.471 19.000 0.151 0.000 0.804 80 A HN 0.324 nan 8.150 nan 0.000 0.453 81 G N -1.131 107.699 108.800 0.051 0.000 2.557 81 G HA2 0.268 4.228 3.960 0.000 0.000 0.292 81 G HA3 0.268 4.228 3.960 0.000 0.000 0.292 81 G C 1.245 176.153 174.900 0.014 0.000 1.162 81 G CA 0.671 45.790 45.100 0.032 0.000 0.964 81 G HN 2.600 nan 8.290 nan 0.000 0.541 82 G N -0.838 107.959 108.800 -0.004 0.000 3.067 82 G HA2 0.496 4.456 3.960 0.000 0.000 0.686 82 G HA3 0.496 4.456 3.960 0.000 0.000 0.686 82 G C -0.734 174.163 174.900 -0.005 0.000 1.119 82 G CA 0.800 45.894 45.100 -0.010 0.000 0.790 82 G HN 1.706 nan 8.290 nan 0.000 0.605 83 K N 1.394 121.785 120.400 -0.015 0.000 2.542 83 K HA 0.701 5.021 4.320 0.000 0.000 0.259 83 K C 0.373 176.899 176.600 -0.124 0.000 0.932 83 K CA -1.086 55.138 56.287 -0.105 0.000 0.820 83 K CB 1.629 34.038 32.500 -0.152 0.000 1.345 83 K HN 1.183 nan 8.250 nan 0.000 0.432 84 I N -0.475 119.966 120.570 -0.214 0.000 2.793 84 I HA 0.690 4.860 4.170 0.000 0.000 0.313 84 I C -1.195 174.678 176.117 -0.407 0.000 0.998 84 I CA -0.734 60.482 61.300 -0.139 0.000 1.140 84 I CB 0.985 38.954 38.000 -0.051 0.000 1.327 84 I HN 0.455 nan 8.210 nan 0.000 0.491 85 F N 0.209 120.191 119.950 0.053 0.000 2.631 85 F HA 0.544 5.071 4.527 0.000 0.000 0.308 85 F C 0.067 175.942 175.800 0.126 0.000 1.097 85 F CA -0.530 57.522 58.000 0.086 0.000 0.952 85 F CB 2.430 41.482 39.000 0.086 0.000 1.307 85 F HN 0.689 nan 8.300 nan 0.000 0.450 86 T N -0.797 113.956 114.554 0.331 0.000 2.945 86 T HA 0.811 5.161 4.350 0.000 0.000 0.286 86 T C -1.059 173.849 174.700 0.347 0.000 1.025 86 T CA -0.536 61.720 62.100 0.260 0.000 1.039 86 T CB 1.979 71.003 68.868 0.259 0.000 1.068 86 T HN 0.655 nan 8.240 nan 0.000 0.497 87 Y N -1.374 119.020 120.300 0.157 0.000 2.728 87 Y HA 0.761 5.311 4.550 0.000 0.000 0.330 87 Y C 0.618 176.599 175.900 0.134 0.000 1.234 87 Y CA -0.707 57.468 58.100 0.125 0.000 1.070 87 Y CB 0.437 38.946 38.460 0.082 0.000 1.300 87 Y HN 1.270 nan 8.280 nan 0.000 0.467 88 G N 0.751 109.716 108.800 0.274 0.000 2.569 88 G HA2 -0.305 3.655 3.960 0.000 0.000 0.259 88 G HA3 -0.305 3.655 3.960 0.000 0.000 0.259 88 G C 0.732 175.723 174.900 0.152 0.000 1.263 88 G CA 0.310 45.516 45.100 0.177 0.000 0.928 88 G HN 1.089 nan 8.290 nan 0.000 0.572 89 S N -0.946 114.840 115.700 0.143 0.000 2.368 89 S HA -0.236 4.234 4.470 0.000 0.000 0.226 89 S C 1.886 176.609 174.600 0.206 0.000 1.044 89 S CA 2.632 60.935 58.200 0.172 0.000 1.062 89 S CB -0.524 62.778 63.200 0.170 0.000 0.931 89 S HN 0.804 nan 8.310 nan 0.000 0.440 90 Y N 2.403 122.720 120.300 0.029 0.000 2.181 90 Y HA -0.191 4.359 4.550 0.000 0.000 0.288 90 Y C 2.482 178.379 175.900 -0.005 0.000 1.146 90 Y CA 2.055 60.076 58.100 -0.131 0.000 1.164 90 Y CB -0.338 37.949 38.460 -0.288 0.000 0.982 90 Y HN 0.044 nan 8.280 nan 0.000 0.515 91 R N 0.654 121.171 120.500 0.029 0.000 2.073 91 R HA -0.118 4.222 4.340 0.000 0.000 0.234 91 R C 2.095 178.404 176.300 0.015 0.000 1.134 91 R CA 2.062 58.173 56.100 0.019 0.000 0.952 91 R CB -0.943 29.453 30.300 0.161 0.000 0.850 91 R HN 0.532 nan 8.270 nan 0.000 0.433 92 L N -1.039 120.244 121.223 0.101 0.000 2.275 92 L HA 0.095 4.435 4.340 0.000 0.000 0.215 92 L C 1.233 178.191 176.870 0.147 0.000 1.119 92 L CA 0.988 55.932 54.840 0.174 0.000 0.790 92 L CB -0.293 41.917 42.059 0.251 0.000 0.919 92 L HN 0.666 nan 8.230 nan 0.000 0.443 93 G N -0.196 108.660 108.800 0.094 0.000 2.132 93 G HA2 -0.235 3.725 3.960 0.000 0.000 0.228 93 G HA3 -0.235 3.725 3.960 0.000 0.000 0.228 93 G C 0.565 175.519 174.900 0.089 0.000 1.000 93 G CA 0.258 45.422 45.100 0.105 0.000 0.693 93 G HN 0.330 nan 8.290 nan 0.000 0.515 94 V N -1.420 118.558 119.914 0.107 0.000 3.380 94 V HA 0.417 4.537 4.120 0.000 0.000 0.307 94 V C 1.190 177.252 176.094 -0.053 0.000 1.434 94 V CA 0.287 62.570 62.300 -0.028 0.000 1.075 94 V CB -0.716 31.075 31.823 -0.053 0.000 0.954 94 V HN 0.796 nan 8.190 nan 0.000 0.444 95 H N 0.679 119.749 119.070 0.001 0.000 2.730 95 H HA 0.716 5.272 4.556 0.000 0.000 0.376 95 H C 0.180 175.499 175.328 -0.015 0.000 1.299 95 H CA 0.324 56.385 56.048 0.022 0.000 1.447 95 H CB 1.242 31.074 29.762 0.116 0.000 1.493 95 H HN 0.393 nan 8.280 nan 0.000 0.619 96 G N -0.726 108.051 108.800 -0.039 0.000 2.921 96 G HA2 0.345 4.305 3.960 0.000 0.000 0.291 96 G HA3 0.345 4.305 3.960 0.000 0.000 0.291 96 G C -2.170 172.748 174.900 0.029 0.000 1.370 96 G CA -1.370 43.667 45.100 -0.104 0.000 0.847 96 G HN 0.367 nan 8.290 nan 0.000 0.532 97 P HA -0.090 nan 4.420 nan 0.000 0.215 97 P C 1.854 179.181 177.300 0.044 0.000 1.163 97 P CA 2.194 65.315 63.100 0.036 0.000 0.894 97 P CB 0.087 31.791 31.700 0.006 0.000 0.791 98 G N -1.589 107.222 108.800 0.017 0.000 2.920 98 G HA2 -0.030 3.930 3.960 0.000 0.000 0.208 98 G HA3 -0.030 3.930 3.960 0.000 0.000 0.208 98 G C 0.385 175.301 174.900 0.028 0.000 1.159 98 G CA 0.006 45.115 45.100 0.016 0.000 0.784 98 G HN 0.208 nan 8.290 nan 0.000 0.535 99 S N 1.628 117.364 115.700 0.059 0.000 2.549 99 S HA 0.147 4.617 4.470 0.000 0.000 0.286 99 S C 0.082 174.706 174.600 0.041 0.000 1.314 99 S CA -0.390 57.851 58.200 0.069 0.000 1.062 99 S CB 0.768 64.060 63.200 0.152 0.000 0.865 99 S HN 0.324 nan 8.310 nan 0.000 0.498 100 D N 1.597 122.008 120.400 0.018 0.000 2.361 100 D HA 0.199 4.839 4.640 0.000 0.000 0.239 100 D C 0.119 176.386 176.300 -0.054 0.000 1.200 100 D CA 0.187 54.177 54.000 -0.017 0.000 0.915 100 D CB 0.559 41.352 40.800 -0.012 0.000 1.170 100 D HN 0.331 nan 8.370 nan 0.000 0.444 101 I N 1.201 121.698 120.570 -0.123 0.000 2.362 101 I HA 0.076 4.246 4.170 0.000 0.000 0.289 101 I C -0.222 175.774 176.117 -0.202 0.000 0.994 101 I CA -0.750 60.427 61.300 -0.206 0.000 1.158 101 I CB 1.292 39.063 38.000 -0.380 0.000 1.315 101 I HN -0.050 nan 8.210 nan 0.000 0.451 102 D N 5.719 125.946 120.400 -0.287 0.000 2.316 102 D HA 0.260 4.900 4.640 0.000 0.000 0.245 102 D C -0.323 175.690 176.300 -0.478 0.000 1.171 102 D CA 0.127 53.818 54.000 -0.516 0.000 0.856 102 D CB 1.487 41.650 40.800 -1.063 0.000 1.090 102 D HN 0.394 nan 8.370 nan 0.000 0.476 103 T N 2.256 116.712 114.554 -0.164 0.000 2.841 103 T HA 0.374 4.724 4.350 0.000 0.000 0.285 103 T C -0.281 174.538 174.700 0.198 0.000 0.991 103 T CA -0.684 61.436 62.100 0.034 0.000 0.966 103 T CB 1.574 70.438 68.868 -0.006 0.000 0.962 103 T HN 0.110 nan 8.240 nan 0.000 0.438 104 L N 4.460 125.850 121.223 0.278 0.000 2.295 104 L HA 0.715 5.055 4.340 0.000 0.000 0.285 104 L C -0.912 176.033 176.870 0.125 0.000 1.035 104 L CA -0.525 54.440 54.840 0.207 0.000 0.806 104 L CB 1.265 43.458 42.059 0.223 0.000 1.214 104 L HN 0.469 nan 8.230 nan 0.000 0.426 105 V N 5.815 125.719 119.914 -0.016 0.000 2.370 105 V HA 0.460 4.580 4.120 0.000 0.000 0.283 105 V C -0.224 175.829 176.094 -0.068 0.000 1.023 105 V CA -0.723 61.542 62.300 -0.058 0.000 0.857 105 V CB 1.410 33.117 31.823 -0.195 0.000 0.985 105 V HN 0.529 nan 8.190 nan 0.000 0.443 106 V N 6.135 126.066 119.914 0.029 0.000 2.398 106 V HA 0.615 4.735 4.120 0.000 0.000 0.286 106 V C -0.040 176.031 176.094 -0.039 0.000 1.026 106 V CA -0.471 61.837 62.300 0.013 0.000 0.868 106 V CB 1.699 33.604 31.823 0.136 0.000 0.982 106 V HN 0.778 nan 8.190 nan 0.000 0.443 107 V N 4.061 123.911 119.914 -0.107 0.000 2.823 107 V HA 0.784 4.904 4.120 0.000 0.000 0.312 107 V C -2.598 173.381 176.094 -0.192 0.000 1.072 107 V CA -2.459 59.733 62.300 -0.181 0.000 0.937 107 V CB 2.245 33.913 31.823 -0.259 0.000 1.013 107 V HN 0.640 nan 8.190 nan 0.000 0.430 108 P HA 0.113 nan 4.420 nan 0.000 0.271 108 P C 0.412 177.534 177.300 -0.297 0.000 1.244 108 P CA -0.184 62.779 63.100 -0.229 0.000 0.793 108 P CB 0.917 32.488 31.700 -0.214 0.000 0.984 109 K N 0.445 120.768 120.400 -0.129 0.000 2.211 109 K HA -0.198 4.122 4.320 0.000 0.000 0.204 109 K C 1.781 178.346 176.600 -0.059 0.000 1.047 109 K CA 1.658 57.907 56.287 -0.063 0.000 0.935 109 K CB -0.475 32.037 32.500 0.019 0.000 0.728 109 K HN 0.619 nan 8.250 nan 0.000 0.452 110 H N -2.029 117.009 119.070 -0.054 0.000 2.556 110 H HA 0.132 4.688 4.556 0.000 0.000 0.268 110 H C -0.136 175.158 175.328 -0.056 0.000 0.996 110 H CA -0.272 55.746 56.048 -0.050 0.000 1.157 110 H CB 0.086 29.816 29.762 -0.053 0.000 1.355 110 H HN -0.164 nan 8.280 nan 0.000 0.597 111 V N 3.169 122.903 119.914 -0.301 0.000 2.304 111 V HA 0.152 4.272 4.120 0.000 0.000 0.269 111 V C 0.711 176.755 176.094 -0.083 0.000 1.036 111 V CA -0.430 61.736 62.300 -0.223 0.000 0.840 111 V CB 0.448 32.026 31.823 -0.409 0.000 1.036 111 V HN 0.618 nan 8.190 nan 0.000 0.466 112 T N 1.865 116.427 114.554 0.014 0.000 2.726 112 T HA 0.200 4.550 4.350 0.000 0.000 0.294 112 T C 1.165 175.940 174.700 0.125 0.000 1.013 112 T CA -0.208 61.926 62.100 0.058 0.000 0.996 112 T CB 1.139 70.055 68.868 0.080 0.000 1.016 112 T HN 0.512 nan 8.240 nan 0.000 0.529 113 R N 0.132 120.711 120.500 0.131 0.000 2.115 113 R HA -0.055 4.285 4.340 0.000 0.000 0.226 113 R C 2.373 178.898 176.300 0.376 0.000 1.100 113 R CA 1.423 57.655 56.100 0.220 0.000 0.980 113 R CB -0.293 30.137 30.300 0.216 0.000 0.875 113 R HN 0.855 nan 8.270 nan 0.000 0.445 114 E N 0.249 120.622 120.200 0.288 0.000 2.160 114 E HA -0.201 4.149 4.350 0.000 0.000 0.195 114 E C 1.239 178.009 176.600 0.283 0.000 0.991 114 E CA 1.388 57.955 56.400 0.279 0.000 0.810 114 E CB -0.013 29.792 29.700 0.175 0.000 0.742 114 E HN 0.430 nan 8.360 nan 0.000 0.466 115 D N 0.417 120.991 120.400 0.290 0.000 2.123 115 D HA -0.132 4.508 4.640 0.000 0.000 0.200 115 D C 1.714 178.263 176.300 0.415 0.000 0.976 115 D CA 0.600 54.819 54.000 0.365 0.000 0.831 115 D CB -0.401 40.627 40.800 0.380 0.000 0.974 115 D HN 0.089 nan 8.370 nan 0.000 0.469 116 F N 1.118 121.171 119.950 0.172 0.000 2.091 116 F HA -0.215 4.312 4.527 0.000 0.000 0.299 116 F C 1.876 177.494 175.800 -0.304 0.000 1.103 116 F CA 1.363 59.195 58.000 -0.280 0.000 1.228 116 F CB -0.582 38.179 39.000 -0.398 0.000 0.984 116 F HN -0.145 nan 8.300 nan 0.000 0.477 117 F N -0.457 119.520 119.950 0.045 0.000 2.780 117 F HA -0.002 4.525 4.527 0.000 0.000 0.299 117 F C 2.123 177.898 175.800 -0.042 0.000 1.146 117 F CA 0.863 58.823 58.000 -0.066 0.000 1.428 117 F CB -0.405 38.615 39.000 0.033 0.000 1.115 117 F HN 0.088 nan 8.300 nan 0.000 0.583 118 T N -4.379 110.258 114.554 0.139 0.000 3.391 118 T HA 0.046 4.396 4.350 0.000 0.000 0.233 118 T C 1.824 176.554 174.700 0.049 0.000 0.960 118 T CA 0.602 62.761 62.100 0.098 0.000 1.342 118 T CB -0.826 68.118 68.868 0.125 0.000 1.124 118 T HN -0.112 nan 8.240 nan 0.000 0.396 119 V N 1.220 121.204 119.914 0.117 0.000 2.295 119 V HA -0.033 4.087 4.120 0.000 0.000 0.246 119 V C 2.323 178.424 176.094 0.012 0.000 1.049 119 V CA 2.118 64.508 62.300 0.150 0.000 1.024 119 V CB -0.952 31.089 31.823 0.364 0.000 0.648 119 V HN 0.457 nan 8.190 nan 0.000 0.447 120 F N 1.328 120.984 119.950 -0.490 0.000 2.113 120 F HA -0.161 4.366 4.527 0.000 0.000 0.297 120 F C 2.455 177.983 175.800 -0.453 0.000 1.103 120 F CA 2.008 59.551 58.000 -0.763 0.000 1.248 120 F CB -0.574 37.502 39.000 -1.539 0.000 0.999 120 F HN 0.294 nan 8.300 nan 0.000 0.475 121 D N -0.097 120.076 120.400 -0.379 0.000 2.133 121 D HA -0.253 4.387 4.640 0.000 0.000 0.192 121 D C 2.123 178.279 176.300 -0.240 0.000 1.001 121 D CA 2.212 56.029 54.000 -0.306 0.000 0.844 121 D CB -0.359 40.353 40.800 -0.146 0.000 0.944 121 D HN 0.441 nan 8.370 nan 0.000 0.447 122 S N -0.408 115.197 115.700 -0.159 0.000 2.461 122 S HA -0.033 4.437 4.470 0.000 0.000 0.228 122 S C 2.519 177.047 174.600 -0.120 0.000 1.005 122 S CA 0.221 58.360 58.200 -0.102 0.000 0.942 122 S CB -0.485 62.692 63.200 -0.037 0.000 0.776 122 S HN 0.335 nan 8.310 nan 0.000 0.514 123 L N 0.714 121.831 121.223 -0.177 0.000 2.056 123 L HA 0.027 4.367 4.340 0.000 0.000 0.207 123 L C 2.599 179.344 176.870 -0.207 0.000 1.078 123 L CA 1.067 55.808 54.840 -0.166 0.000 0.749 123 L CB -0.586 41.373 42.059 -0.165 0.000 0.901 123 L HN 0.304 nan 8.230 nan 0.000 0.433 124 L N -0.561 120.453 121.223 -0.349 0.000 2.079 124 L HA -0.241 4.099 4.340 0.000 0.000 0.210 124 L C 2.717 179.525 176.870 -0.104 0.000 1.081 124 L CA 1.387 56.084 54.840 -0.239 0.000 0.752 124 L CB -0.429 41.432 42.059 -0.330 0.000 0.896 124 L HN 0.220 nan 8.230 nan 0.000 0.433 125 R N -0.447 119.984 120.500 -0.115 0.000 2.189 125 R HA -0.121 4.219 4.340 0.000 0.000 0.218 125 R C 2.013 178.274 176.300 -0.064 0.000 1.074 125 R CA 0.609 56.662 56.100 -0.078 0.000 0.991 125 R CB -0.092 30.167 30.300 -0.069 0.000 0.883 125 R HN 0.385 nan 8.270 nan 0.000 0.457 126 E N 0.289 120.453 120.200 -0.061 0.000 2.204 126 E HA -0.073 4.277 4.350 0.000 0.000 0.194 126 E C 0.081 176.653 176.600 -0.047 0.000 0.989 126 E CA 0.549 56.922 56.400 -0.044 0.000 0.824 126 E CB 0.320 30.000 29.700 -0.033 0.000 0.756 126 E HN 0.029 nan 8.360 nan 0.000 0.477 127 R N 0.937 121.407 120.500 -0.050 0.000 2.340 127 R HA 0.028 4.369 4.340 0.000 0.000 0.300 127 R C 0.865 177.079 176.300 -0.144 0.000 1.069 127 R CA 0.149 56.208 56.100 -0.068 0.000 0.984 127 R CB 0.699 30.998 30.300 -0.002 0.000 1.003 127 R HN 0.172 nan 8.270 nan 0.000 0.459 128 K N 0.805 121.119 120.400 -0.145 0.000 2.525 128 K HA -0.013 4.307 4.320 0.000 0.000 0.192 128 K C 0.230 176.682 176.600 -0.246 0.000 1.029 128 K CA 0.934 57.128 56.287 -0.155 0.000 1.029 128 K CB 0.263 32.701 32.500 -0.103 0.000 0.814 128 K HN 0.367 nan 8.250 nan 0.000 0.503 129 E N 0.899 120.847 120.200 -0.421 0.000 2.478 129 E HA 0.103 4.453 4.350 0.000 0.000 0.194 129 E C -0.063 176.069 176.600 -0.779 0.000 1.045 129 E CA -0.013 55.983 56.400 -0.673 0.000 0.868 129 E CB 0.306 29.350 29.700 -1.093 0.000 0.885 129 E HN 0.208 nan 8.360 nan 0.000 0.505 130 L N 2.113 123.007 121.223 -0.549 0.000 2.407 130 L HA 0.012 4.352 4.340 0.000 0.000 0.282 130 L C -0.016 176.745 176.870 -0.182 0.000 1.110 130 L CA 0.129 54.786 54.840 -0.305 0.000 0.863 130 L CB 0.496 42.475 42.059 -0.134 0.000 1.207 130 L HN 0.104 nan 8.230 nan 0.000 0.454 131 D N 3.391 123.707 120.400 -0.140 0.000 2.183 131 D HA 0.035 4.675 4.640 0.000 0.000 0.205 131 D C 0.010 176.283 176.300 -0.045 0.000 0.962 131 D CA 1.054 55.004 54.000 -0.084 0.000 0.849 131 D CB 0.627 41.388 40.800 -0.065 0.000 0.978 131 D HN 0.592 nan 8.370 nan 0.000 0.488 132 E N -0.564 119.622 120.200 -0.022 0.000 2.375 132 E HA 0.540 4.890 4.350 0.000 0.000 0.280 132 E C -1.217 175.388 176.600 0.009 0.000 0.972 132 E CA -0.513 55.884 56.400 -0.005 0.000 0.782 132 E CB 3.132 32.834 29.700 0.004 0.000 1.229 132 E HN -0.098 nan 8.360 nan 0.000 0.439 133 I N 1.178 121.752 120.570 0.007 0.000 2.548 133 I HA 0.648 4.818 4.170 0.000 0.000 0.287 133 I C -1.842 174.287 176.117 0.020 0.000 1.103 133 I CA -0.392 60.916 61.300 0.013 0.000 1.049 133 I CB 1.331 39.327 38.000 -0.006 0.000 1.232 133 I HN 0.636 nan 8.210 nan 0.000 0.429 134 A N 8.348 131.190 122.820 0.037 0.000 2.545 134 A HA 0.767 5.087 4.320 0.000 0.000 0.300 134 A C -2.912 174.717 177.584 0.076 0.000 1.252 134 A CA -1.333 50.731 52.037 0.046 0.000 0.753 134 A CB 0.367 19.393 19.000 0.042 0.000 1.144 134 A HN 0.394 nan 8.150 nan 0.000 0.457 135 P HA 0.410 nan 4.420 nan 0.000 0.285 135 P C -0.393 176.966 177.300 0.097 0.000 1.259 135 P CA -0.238 62.962 63.100 0.168 0.000 0.794 135 P CB 1.493 33.307 31.700 0.190 0.000 0.940 136 V N 4.029 124.027 119.914 0.139 0.000 2.383 136 V HA 0.192 4.312 4.120 0.000 0.000 0.261 136 V C -1.585 174.470 176.094 -0.064 0.000 0.987 136 V CA -1.298 61.017 62.300 0.026 0.000 0.853 136 V CB 1.119 32.985 31.823 0.072 0.000 1.095 136 V HN 0.454 nan 8.190 nan 0.000 0.461 137 P HA -0.076 nan 4.420 nan 0.000 0.217 137 P C 0.499 177.667 177.300 -0.219 0.000 1.150 137 P CA 1.133 63.793 63.100 -0.734 0.000 0.832 137 P CB 0.372 31.353 31.700 -1.198 0.000 0.787 138 D N 0.172 120.484 120.400 -0.146 0.000 2.663 138 D HA 0.265 4.905 4.640 0.000 0.000 0.243 138 D C 0.485 176.796 176.300 0.018 0.000 1.218 138 D CA 0.234 54.206 54.000 -0.047 0.000 0.846 138 D CB -0.388 40.387 40.800 -0.041 0.000 1.014 138 D HN 0.162 nan 8.370 nan 0.000 0.476 139 A N -0.335 122.514 122.820 0.047 0.000 2.340 139 A HA 0.382 4.702 4.320 0.000 0.000 0.331 139 A C 0.815 178.483 177.584 0.140 0.000 1.140 139 A CA -0.810 51.292 52.037 0.108 0.000 0.801 139 A CB 0.873 19.945 19.000 0.119 0.000 1.234 139 A HN 0.147 nan 8.150 nan 0.000 0.469 140 F N 2.814 122.786 119.950 0.036 0.000 2.045 140 F HA -0.175 4.352 4.527 0.000 0.000 0.297 140 F C 1.003 176.829 175.800 0.043 0.000 1.114 140 F CA 2.711 60.730 58.000 0.032 0.000 1.207 140 F CB 0.156 39.168 39.000 0.021 0.000 0.964 140 F HN 0.349 nan 8.300 nan 0.000 0.486 141 V N 2.784 122.670 119.914 -0.047 0.000 2.318 141 V HA 0.367 4.487 4.120 0.000 0.000 0.271 141 V C -2.450 173.677 176.094 0.056 0.000 1.030 141 V CA -2.242 59.987 62.300 -0.120 0.000 0.844 141 V CB 0.578 32.354 31.823 -0.079 0.000 1.015 141 V HN 0.002 nan 8.190 nan 0.000 0.460 142 P HA 0.353 nan 4.420 nan 0.000 0.271 142 P C -0.623 176.906 177.300 0.380 0.000 1.233 142 P CA 0.398 63.667 63.100 0.283 0.000 0.764 142 P CB 0.546 32.457 31.700 0.353 0.000 0.825 143 I N 3.745 124.586 120.570 0.453 0.000 2.730 143 I HA 0.446 4.616 4.170 0.000 0.000 0.298 143 I C -0.996 175.382 176.117 0.435 0.000 1.089 143 I CA -1.194 60.330 61.300 0.374 0.000 1.041 143 I CB 1.787 39.927 38.000 0.234 0.000 1.235 143 I HN 0.137 nan 8.210 nan 0.000 0.423 144 I N 6.143 126.896 120.570 0.305 0.000 2.362 144 I HA 0.376 4.546 4.170 0.000 0.000 0.289 144 I C -0.598 175.598 176.117 0.131 0.000 0.994 144 I CA -0.616 60.788 61.300 0.174 0.000 1.158 144 I CB 1.555 39.524 38.000 -0.053 0.000 1.315 144 I HN 0.380 nan 8.210 nan 0.000 0.451 145 K N 7.632 128.096 120.400 0.107 0.000 2.339 145 K HA 0.630 4.950 4.320 0.000 0.000 0.264 145 K C -0.845 175.790 176.600 0.059 0.000 0.986 145 K CA -0.442 55.894 56.287 0.081 0.000 0.866 145 K CB 1.343 33.891 32.500 0.079 0.000 1.103 145 K HN 0.571 nan 8.250 nan 0.000 0.441 146 I N -0.998 119.605 120.570 0.055 0.000 2.957 146 I HA 0.541 4.711 4.170 0.000 0.000 0.310 146 I C -1.136 175.021 176.117 0.068 0.000 1.063 146 I CA -1.035 60.302 61.300 0.061 0.000 1.033 146 I CB 2.060 40.111 38.000 0.084 0.000 1.230 146 I HN 0.311 nan 8.210 nan 0.000 0.447 147 K N 3.392 123.833 120.400 0.069 0.000 2.339 147 K HA 0.460 4.780 4.320 0.000 0.000 0.264 147 K C -2.134 174.529 176.600 0.105 0.000 0.986 147 K CA -0.522 55.806 56.287 0.069 0.000 0.866 147 K CB 1.448 33.964 32.500 0.027 0.000 1.103 147 K HN 0.661 nan 8.250 nan 0.000 0.441 148 F N 2.944 122.869 119.950 -0.041 0.000 2.496 148 F HA 0.152 4.679 4.527 0.000 0.000 0.341 148 F C -0.033 175.743 175.800 -0.041 0.000 1.134 148 F CA -0.235 57.737 58.000 -0.047 0.000 0.968 148 F CB 1.364 40.330 39.000 -0.055 0.000 1.205 148 F HN 0.707 nan 8.300 nan 0.000 0.436 149 S N 3.665 119.265 115.700 -0.167 0.000 3.581 149 S HA -0.188 4.282 4.470 0.000 0.000 0.354 149 S C 1.142 175.739 174.600 -0.004 0.000 1.059 149 S CA 1.133 59.285 58.200 -0.079 0.000 1.060 149 S CB -1.719 61.483 63.200 0.003 0.000 0.908 149 S HN 1.890 nan 8.310 nan 0.000 0.475 150 G N -0.632 108.165 108.800 -0.006 0.000 2.205 150 G HA2 -0.306 3.654 3.960 0.000 0.000 0.261 150 G HA3 -0.306 3.654 3.960 0.000 0.000 0.261 150 G C 0.062 174.978 174.900 0.027 0.000 0.980 150 G CA 0.299 45.404 45.100 0.008 0.000 0.632 150 G HN 0.743 nan 8.290 nan 0.000 0.533 151 I N 1.843 122.443 120.570 0.051 0.000 2.385 151 I HA 0.428 4.598 4.170 0.000 0.000 0.294 151 I C 0.287 176.428 176.117 0.040 0.000 0.988 151 I CA -0.646 60.677 61.300 0.038 0.000 1.265 151 I CB 1.856 39.872 38.000 0.028 0.000 1.388 151 I HN 0.051 nan 8.210 nan 0.000 0.480 152 S N 6.592 122.301 115.700 0.014 0.000 2.465 152 S HA 0.483 4.953 4.470 0.000 0.000 0.279 152 S C -0.326 174.263 174.600 -0.017 0.000 1.201 152 S CA -0.423 57.785 58.200 0.013 0.000 1.053 152 S CB 0.395 63.602 63.200 0.011 0.000 0.953 152 S HN 0.244 nan 8.310 nan 0.000 0.488 153 I N 3.312 123.877 120.570 -0.009 0.000 2.378 153 I HA 0.284 4.454 4.170 0.000 0.000 0.291 153 I C -0.248 175.868 176.117 -0.002 0.000 0.992 153 I CA -0.487 60.788 61.300 -0.042 0.000 1.154 153 I CB 1.406 39.358 38.000 -0.080 0.000 1.315 153 I HN 0.427 nan 8.210 nan 0.000 0.448 154 D N 7.197 127.591 120.400 -0.011 0.000 2.225 154 D HA 0.494 5.134 4.640 0.000 0.000 0.248 154 D C -0.530 175.808 176.300 0.063 0.000 1.096 154 D CA 0.008 54.029 54.000 0.035 0.000 0.863 154 D CB 1.516 42.333 40.800 0.029 0.000 1.156 154 D HN 0.259 nan 8.370 nan 0.000 0.450 155 L N 3.369 124.672 121.223 0.134 0.000 2.376 155 L HA 0.503 4.843 4.340 0.000 0.000 0.275 155 L C -0.047 176.985 176.870 0.270 0.000 0.987 155 L CA -0.683 54.279 54.840 0.203 0.000 0.828 155 L CB 1.307 43.519 42.059 0.255 0.000 1.249 155 L HN 0.302 nan 8.230 nan 0.000 0.409 156 I N -0.303 120.359 120.570 0.154 0.000 2.957 156 I HA 0.776 4.946 4.170 0.000 0.000 0.310 156 I C -0.971 174.917 176.117 -0.381 0.000 1.063 156 I CA -0.673 60.607 61.300 -0.033 0.000 1.033 156 I CB 2.294 40.308 38.000 0.022 0.000 1.230 156 I HN 0.594 nan 8.210 nan 0.000 0.447 157 C N 3.634 122.524 119.300 -0.683 0.000 2.482 157 C HA 0.923 5.383 4.460 0.000 0.000 0.317 157 C C -0.142 174.589 174.990 -0.432 0.000 1.197 157 C CA 0.090 58.624 59.018 -0.807 0.000 1.432 157 C CB 0.576 27.328 27.740 -1.648 0.000 2.062 157 C HN 1.056 nan 8.230 nan 0.000 0.471 158 A N 5.800 128.443 122.820 -0.295 0.000 2.356 158 A HA 0.859 5.179 4.320 0.000 0.000 0.310 158 A C -0.774 176.710 177.584 -0.167 0.000 1.075 158 A CA -0.614 51.302 52.037 -0.202 0.000 0.746 158 A CB 0.912 19.813 19.000 -0.165 0.000 1.221 158 A HN 0.910 nan 8.150 nan 0.000 0.443 159 R N 1.739 122.154 120.500 -0.143 0.000 2.346 159 R HA 0.591 4.931 4.340 0.000 0.000 0.311 159 R C -0.819 175.424 176.300 -0.095 0.000 0.983 159 R CA -0.374 55.652 56.100 -0.123 0.000 0.880 159 R CB 1.267 31.501 30.300 -0.110 0.000 1.100 159 R HN 0.660 nan 8.270 nan 0.000 0.453 160 L N 1.247 122.420 121.223 -0.084 0.000 2.387 160 L HA 0.166 4.506 4.340 0.000 0.000 0.266 160 L C 1.076 177.919 176.870 -0.045 0.000 1.059 160 L CA -0.312 54.493 54.840 -0.059 0.000 0.801 160 L CB 1.136 43.168 42.059 -0.045 0.000 1.223 160 L HN 0.637 nan 8.230 nan 0.000 0.456 161 D N -0.296 120.087 120.400 -0.029 0.000 2.277 161 D HA -0.077 4.563 4.640 0.000 0.000 0.208 161 D C 0.643 176.941 176.300 -0.003 0.000 0.962 161 D CA 0.362 54.353 54.000 -0.016 0.000 0.865 161 D CB 0.395 41.188 40.800 -0.012 0.000 0.939 161 D HN 0.507 nan 8.370 nan 0.000 0.510 162 Q N 0.069 119.867 119.800 -0.003 0.000 2.394 162 Q HA 0.181 4.521 4.340 0.000 0.000 0.248 162 Q C -2.067 173.949 176.000 0.026 0.000 0.992 162 Q CA -1.363 54.445 55.803 0.009 0.000 0.888 162 Q CB 0.872 29.615 28.738 0.007 0.000 1.257 162 Q HN -0.057 nan 8.270 nan 0.000 0.462 163 P HA -0.092 nan 4.420 nan 0.000 0.245 163 P C -0.871 176.501 177.300 0.120 0.000 1.212 163 P CA 0.849 64.009 63.100 0.100 0.000 0.774 163 P CB 0.171 31.906 31.700 0.057 0.000 0.999 164 Q N -2.727 117.109 119.800 0.060 0.000 2.472 164 Q HA 0.512 4.852 4.340 0.000 0.000 0.281 164 Q C -1.756 174.258 176.000 0.024 0.000 0.997 164 Q CA -1.065 54.768 55.803 0.050 0.000 0.828 164 Q CB 1.427 30.196 28.738 0.052 0.000 1.443 164 Q HN -0.330 nan 8.270 nan 0.000 0.390 165 V N 2.571 122.496 119.914 0.018 0.000 2.276 165 V HA 0.380 4.500 4.120 0.000 0.000 0.268 165 V C -2.155 173.956 176.094 0.029 0.000 1.032 165 V CA -1.456 60.858 62.300 0.023 0.000 0.810 165 V CB 0.801 32.632 31.823 0.014 0.000 1.060 165 V HN 0.679 nan 8.190 nan 0.000 0.446 166 P HA 0.141 nan 4.420 nan 0.000 0.271 166 P C 0.921 178.235 177.300 0.023 0.000 1.233 166 P CA -0.145 62.972 63.100 0.027 0.000 0.789 166 P CB 1.580 33.296 31.700 0.028 0.000 0.951 167 L N 1.020 122.248 121.223 0.009 0.000 2.376 167 L HA -0.110 4.230 4.340 0.000 0.000 0.219 167 L C 2.054 178.918 176.870 -0.010 0.000 1.133 167 L CA 1.642 56.474 54.840 -0.014 0.000 0.816 167 L CB -0.639 41.410 42.059 -0.017 0.000 0.933 167 L HN 0.443 nan 8.230 nan 0.000 0.449 168 S N -1.274 114.436 115.700 0.017 0.000 2.572 168 S HA 0.170 4.640 4.470 0.000 0.000 0.228 168 S C 0.386 175.026 174.600 0.067 0.000 0.963 168 S CA -0.514 57.705 58.200 0.031 0.000 0.939 168 S CB -0.286 62.928 63.200 0.025 0.000 0.804 168 S HN 0.120 nan 8.310 nan 0.000 0.480 169 L N 3.899 125.178 121.223 0.094 0.000 2.490 169 L HA 0.363 4.703 4.340 0.000 0.000 0.274 169 L C 0.411 177.426 176.870 0.241 0.000 1.201 169 L CA 0.879 55.805 54.840 0.142 0.000 0.869 169 L CB 0.772 42.928 42.059 0.162 0.000 1.123 169 L HN 0.482 nan 8.230 nan 0.000 0.484 170 T N 1.738 116.386 114.554 0.158 0.000 2.924 170 T HA 0.466 4.816 4.350 0.000 0.000 0.291 170 T C 0.698 175.391 174.700 -0.012 0.000 1.045 170 T CA -0.867 61.316 62.100 0.137 0.000 1.015 170 T CB 1.036 69.961 68.868 0.094 0.000 1.103 170 T HN 0.495 nan 8.240 nan 0.000 0.496 171 L N 1.084 122.214 121.223 -0.155 0.000 2.607 171 L HA 0.108 4.448 4.340 0.000 0.000 0.228 171 L C 2.506 179.309 176.870 -0.112 0.000 1.123 171 L CA -0.153 54.562 54.840 -0.207 0.000 0.890 171 L CB -0.414 41.404 42.059 -0.403 0.000 1.103 171 L HN 0.758 nan 8.230 nan 0.000 0.468 172 S N -0.367 115.293 115.700 -0.067 0.000 2.368 172 S HA -0.240 4.230 4.470 0.000 0.000 0.226 172 S C 0.941 175.524 174.600 -0.028 0.000 1.044 172 S CA 1.324 59.502 58.200 -0.038 0.000 1.062 172 S CB -0.466 62.723 63.200 -0.018 0.000 0.931 172 S HN 0.458 nan 8.310 nan 0.000 0.440 173 D N 2.375 122.760 120.400 -0.026 0.000 2.346 173 D HA 0.059 4.699 4.640 0.000 0.000 0.267 173 D C 1.135 177.425 176.300 -0.018 0.000 1.320 173 D CA -0.069 53.918 54.000 -0.022 0.000 0.951 173 D CB 0.474 41.263 40.800 -0.018 0.000 1.079 173 D HN 0.465 nan 8.370 nan 0.000 0.509 174 K N 2.974 123.368 120.400 -0.011 0.000 2.089 174 K HA -0.317 4.003 4.320 0.000 0.000 0.210 174 K C 1.433 178.046 176.600 0.022 0.000 1.048 174 K CA 1.373 57.676 56.287 0.026 0.000 0.926 174 K CB -0.331 32.171 32.500 0.003 0.000 0.714 174 K HN 0.184 nan 8.250 nan 0.000 0.448 175 N N 1.051 119.744 118.700 -0.013 0.000 2.242 175 N HA -0.147 4.593 4.740 0.000 0.000 0.191 175 N C 1.376 176.886 175.510 -0.000 0.000 1.005 175 N CA 1.190 54.236 53.050 -0.008 0.000 0.877 175 N CB -0.350 38.125 38.487 -0.020 0.000 0.983 175 N HN 0.223 nan 8.380 nan 0.000 0.439 176 L N -0.112 121.107 121.223 -0.007 0.000 2.651 176 L HA -0.112 4.228 4.340 0.000 0.000 0.236 176 L C 1.238 178.099 176.870 -0.016 0.000 1.173 176 L CA 0.449 55.279 54.840 -0.016 0.000 0.843 176 L CB -0.301 41.739 42.059 -0.032 0.000 0.964 176 L HN 0.271 nan 8.230 nan 0.000 0.454 177 L N -1.457 119.770 121.223 0.005 0.000 2.513 177 L HA 0.106 4.446 4.340 0.000 0.000 0.222 177 L C 1.227 178.105 176.870 0.013 0.000 1.096 177 L CA -0.132 54.713 54.840 0.009 0.000 0.857 177 L CB -0.071 42.017 42.059 0.047 0.000 1.026 177 L HN 0.118 nan 8.230 nan 0.000 0.469 178 R N 1.732 122.243 120.500 0.019 0.000 2.623 178 R HA -0.009 4.331 4.340 0.000 0.000 0.271 178 R C 0.393 176.693 176.300 0.001 0.000 1.043 178 R CA 0.227 56.336 56.100 0.015 0.000 1.083 178 R CB 0.202 30.510 30.300 0.013 0.000 0.974 178 R HN 0.269 nan 8.270 nan 0.000 0.436 179 N N -0.087 118.613 118.700 0.000 0.000 2.936 179 N HA -0.202 4.538 4.740 0.000 0.000 0.236 179 N C -0.444 175.057 175.510 -0.015 0.000 0.930 179 N CA 1.136 54.182 53.050 -0.006 0.000 0.966 179 N CB -1.269 37.215 38.487 -0.004 0.000 1.090 179 N HN 0.412 nan 8.380 nan 0.000 0.592 180 L N 1.924 123.135 121.223 -0.021 0.000 2.395 180 L HA 0.299 4.639 4.340 0.000 0.000 0.269 180 L C 0.923 177.772 176.870 -0.036 0.000 1.133 180 L CA -0.601 54.218 54.840 -0.035 0.000 0.812 180 L CB 0.394 42.424 42.059 -0.048 0.000 1.125 180 L HN 0.039 nan 8.230 nan 0.000 0.452 181 D N 0.770 121.145 120.400 -0.041 0.000 2.466 181 D HA 0.307 4.947 4.640 0.000 0.000 0.262 181 D C 1.050 177.316 176.300 -0.056 0.000 1.177 181 D CA 0.005 53.981 54.000 -0.040 0.000 1.035 181 D CB 0.370 41.151 40.800 -0.033 0.000 1.105 181 D HN 0.581 nan 8.370 nan 0.000 0.551 182 E N 0.529 120.697 120.200 -0.053 0.000 2.068 182 E HA -0.311 4.039 4.350 0.000 0.000 0.207 182 E C 1.688 178.226 176.600 -0.103 0.000 1.032 182 E CA 2.132 58.492 56.400 -0.067 0.000 0.839 182 E CB -1.064 28.607 29.700 -0.049 0.000 0.758 182 E HN 0.487 nan 8.360 nan 0.000 0.457 183 K N 0.362 120.695 120.400 -0.111 0.000 2.089 183 K HA -0.172 4.148 4.320 0.000 0.000 0.210 183 K C 1.889 178.402 176.600 -0.145 0.000 1.048 183 K CA 1.713 57.911 56.287 -0.147 0.000 0.926 183 K CB -0.387 32.043 32.500 -0.116 0.000 0.714 183 K HN 0.526 nan 8.250 nan 0.000 0.448 184 D N 0.583 120.912 120.400 -0.118 0.000 2.194 184 D HA -0.047 4.593 4.640 0.000 0.000 0.204 184 D C 2.117 178.343 176.300 -0.124 0.000 0.964 184 D CA 0.522 54.449 54.000 -0.122 0.000 0.846 184 D CB -0.041 40.699 40.800 -0.101 0.000 0.962 184 D HN 0.150 nan 8.370 nan 0.000 0.490 185 L N 0.465 121.621 121.223 -0.111 0.000 2.056 185 L HA -0.095 4.245 4.340 0.000 0.000 0.207 185 L C 2.661 179.452 176.870 -0.132 0.000 1.078 185 L CA 0.962 55.735 54.840 -0.112 0.000 0.749 185 L CB -0.283 41.719 42.059 -0.096 0.000 0.901 185 L HN -0.090 nan 8.230 nan 0.000 0.433 186 R N 0.195 120.612 120.500 -0.139 0.000 2.082 186 R HA -0.173 4.167 4.340 0.000 0.000 0.234 186 R C 2.435 178.628 176.300 -0.179 0.000 1.136 186 R CA 1.566 57.576 56.100 -0.150 0.000 0.935 186 R CB -0.627 29.559 30.300 -0.189 0.000 0.842 186 R HN 0.351 nan 8.270 nan 0.000 0.430 187 A N 0.681 123.389 122.820 -0.188 0.000 2.032 187 A HA -0.168 4.152 4.320 0.000 0.000 0.221 187 A C 1.952 179.390 177.584 -0.243 0.000 1.165 187 A CA 1.279 53.195 52.037 -0.202 0.000 0.645 187 A CB -0.268 18.620 19.000 -0.187 0.000 0.807 187 A HN 0.158 nan 8.150 nan 0.000 0.453 188 L N -0.188 120.906 121.223 -0.216 0.000 2.307 188 L HA 0.057 4.397 4.340 0.000 0.000 0.211 188 L C 2.004 178.727 176.870 -0.245 0.000 1.099 188 L CA 1.203 55.907 54.840 -0.227 0.000 0.816 188 L CB -0.822 41.130 42.059 -0.179 0.000 0.952 188 L HN 0.530 nan 8.230 nan 0.000 0.455 189 N N -0.389 118.180 118.700 -0.219 0.000 2.244 189 N HA -0.160 4.580 4.740 0.000 0.000 0.183 189 N C 1.769 177.149 175.510 -0.216 0.000 1.016 189 N CA 1.125 54.064 53.050 -0.186 0.000 0.866 189 N CB 0.153 38.554 38.487 -0.143 0.000 0.980 189 N HN 0.419 nan 8.380 nan 0.000 0.430 190 G N 0.145 108.734 108.800 -0.352 0.000 2.491 190 G HA2 -0.255 3.705 3.960 0.000 0.000 0.218 190 G HA3 -0.255 3.705 3.960 0.000 0.000 0.218 190 G C 1.500 176.232 174.900 -0.282 0.000 1.180 190 G CA 1.493 46.330 45.100 -0.440 0.000 0.774 190 G HN 0.312 nan 8.290 nan 0.000 0.562 191 T N 0.409 114.761 114.554 -0.337 0.000 2.737 191 T HA -0.054 4.296 4.350 0.000 0.000 0.265 191 T C 2.489 177.130 174.700 -0.099 0.000 1.038 191 T CA 1.142 63.173 62.100 -0.115 0.000 1.144 191 T CB -0.151 68.610 68.868 -0.177 0.000 0.866 191 T HN 0.226 nan 8.240 nan 0.000 0.434 192 R N 0.324 120.733 120.500 -0.151 0.000 2.091 192 R HA -0.075 4.265 4.340 0.000 0.000 0.238 192 R C 2.457 178.722 176.300 -0.057 0.000 1.136 192 R CA 1.129 57.164 56.100 -0.107 0.000 0.959 192 R CB -0.636 29.600 30.300 -0.107 0.000 0.856 192 R HN 0.250 nan 8.270 nan 0.000 0.437 193 V N -0.024 119.859 119.914 -0.053 0.000 2.323 193 V HA -0.202 3.918 4.120 0.000 0.000 0.244 193 V C 2.129 178.229 176.094 0.011 0.000 1.041 193 V CA 2.064 64.351 62.300 -0.021 0.000 1.025 193 V CB -0.497 31.312 31.823 -0.023 0.000 0.656 193 V HN 0.384 nan 8.190 nan 0.000 0.451 194 T N -0.016 114.564 114.554 0.043 0.000 2.622 194 T HA -0.236 4.114 4.350 0.000 0.000 0.266 194 T C 1.694 176.422 174.700 0.047 0.000 1.047 194 T CA 1.947 64.099 62.100 0.086 0.000 1.159 194 T CB -0.490 68.472 68.868 0.158 0.000 0.863 194 T HN 0.446 nan 8.240 nan 0.000 0.422 195 D N 0.925 121.347 120.400 0.036 0.000 2.149 195 D HA -0.112 4.528 4.640 0.000 0.000 0.194 195 D C 2.279 178.568 176.300 -0.017 0.000 1.001 195 D CA 1.096 55.104 54.000 0.014 0.000 0.849 195 D CB -0.265 40.540 40.800 0.007 0.000 0.939 195 D HN 0.551 nan 8.370 nan 0.000 0.449 196 E N 0.034 120.220 120.200 -0.023 0.000 2.072 196 E HA -0.101 4.249 4.350 0.000 0.000 0.191 196 E C 2.493 179.055 176.600 -0.062 0.000 0.985 196 E CA 0.348 56.726 56.400 -0.036 0.000 0.801 196 E CB -0.095 29.591 29.700 -0.023 0.000 0.750 196 E HN 0.344 nan 8.360 nan 0.000 0.452 197 I N 1.255 121.788 120.570 -0.061 0.000 2.248 197 I HA -0.310 3.860 4.170 0.000 0.000 0.248 197 I C 2.399 178.368 176.117 -0.246 0.000 1.107 197 I CA 1.137 62.363 61.300 -0.124 0.000 1.373 197 I CB -0.226 37.741 38.000 -0.055 0.000 1.055 197 I HN 0.094 nan 8.210 nan 0.000 0.418 198 L N -0.042 121.078 121.223 -0.171 0.000 2.217 198 L HA -0.158 4.182 4.340 0.000 0.000 0.211 198 L C 2.087 178.865 176.870 -0.152 0.000 1.107 198 L CA 1.156 55.885 54.840 -0.184 0.000 0.783 198 L CB -0.346 41.670 42.059 -0.072 0.000 0.919 198 L HN 0.222 nan 8.230 nan 0.000 0.442 199 E N -0.433 119.699 120.200 -0.113 0.000 2.481 199 E HA -0.002 4.348 4.350 0.000 0.000 0.195 199 E C 1.399 177.928 176.600 -0.118 0.000 1.047 199 E CA 0.329 56.672 56.400 -0.094 0.000 0.867 199 E CB 0.340 30.002 29.700 -0.062 0.000 0.858 199 E HN 0.450 nan 8.360 nan 0.000 0.513 200 L N 0.512 121.648 121.223 -0.146 0.000 3.016 200 L HA 0.203 4.543 4.340 0.000 0.000 0.267 200 L C -0.072 176.702 176.870 -0.159 0.000 1.182 200 L CA -0.337 54.421 54.840 -0.136 0.000 0.997 200 L CB 1.132 43.131 42.059 -0.100 0.000 1.354 200 L HN -0.041 nan 8.230 nan 0.000 0.569 201 V N -4.435 115.357 119.914 -0.204 0.000 2.581 201 V HA 0.495 4.615 4.120 0.000 0.000 0.303 201 V C -2.027 173.988 176.094 -0.132 0.000 1.041 201 V CA -1.548 60.648 62.300 -0.174 0.000 0.907 201 V CB 1.665 33.314 31.823 -0.289 0.000 0.994 201 V HN -0.121 nan 8.190 nan 0.000 0.442 202 P HA 0.005 nan 4.420 nan 0.000 0.214 202 P C 0.053 177.345 177.300 -0.014 0.000 1.162 202 P CA 1.373 64.427 63.100 -0.077 0.000 0.879 202 P CB 0.163 31.892 31.700 0.049 0.000 0.786 203 K N -1.167 119.259 120.400 0.044 0.000 2.575 203 K HA 0.242 4.562 4.320 0.000 0.000 0.236 203 K C -2.277 174.380 176.600 0.096 0.000 0.976 203 K CA -1.703 54.623 56.287 0.065 0.000 0.985 203 K CB 1.909 34.463 32.500 0.090 0.000 1.198 203 K HN -0.116 nan 8.250 nan 0.000 0.464 204 P HA -0.232 nan 4.420 nan 0.000 0.215 204 P C 0.848 178.265 177.300 0.195 0.000 1.153 204 P CA 1.300 64.479 63.100 0.131 0.000 0.853 204 P CB 0.127 31.867 31.700 0.067 0.000 0.788 205 N N -0.215 118.556 118.700 0.118 0.000 2.149 205 N HA -0.117 4.623 4.740 0.000 0.000 0.188 205 N C 1.577 177.143 175.510 0.094 0.000 1.019 205 N CA 1.387 54.492 53.050 0.093 0.000 0.857 205 N CB -1.346 37.174 38.487 0.055 0.000 0.997 205 N HN 0.059 nan 8.380 nan 0.000 0.426 206 V N 1.127 121.106 119.914 0.110 0.000 2.358 206 V HA -0.185 3.935 4.120 0.000 0.000 0.246 206 V C 2.182 178.342 176.094 0.110 0.000 1.047 206 V CA 1.527 63.885 62.300 0.097 0.000 1.035 206 V CB -0.940 30.950 31.823 0.112 0.000 0.658 206 V HN 0.211 nan 8.190 nan 0.000 0.452 207 F N 1.332 121.298 119.950 0.027 0.000 2.171 207 F HA -0.139 4.388 4.527 0.000 0.000 0.300 207 F C 2.514 178.323 175.800 0.016 0.000 1.090 207 F CA 1.582 59.598 58.000 0.028 0.000 1.293 207 F CB -0.266 38.756 39.000 0.038 0.000 1.013 207 F HN -0.046 nan 8.300 nan 0.000 0.486 208 R N 0.209 120.678 120.500 -0.052 0.000 2.073 208 R HA -0.146 4.194 4.340 0.000 0.000 0.234 208 R C 2.181 178.368 176.300 -0.188 0.000 1.134 208 R CA 1.684 57.690 56.100 -0.157 0.000 0.952 208 R CB -0.591 29.727 30.300 0.030 0.000 0.850 208 R HN 0.301 nan 8.270 nan 0.000 0.433 209 I N 0.941 121.456 120.570 -0.092 0.000 2.179 209 I HA -0.215 3.955 4.170 0.000 0.000 0.242 209 I C 2.548 178.559 176.117 -0.178 0.000 1.088 209 I CA 1.387 62.633 61.300 -0.090 0.000 1.357 209 I CB -1.443 36.536 38.000 -0.035 0.000 1.051 209 I HN 0.150 nan 8.210 nan 0.000 0.409 210 A N 0.533 123.235 122.820 -0.198 0.000 1.898 210 A HA -0.189 4.131 4.320 0.000 0.000 0.216 210 A C 2.294 179.685 177.584 -0.322 0.000 1.181 210 A CA 1.244 53.132 52.037 -0.248 0.000 0.620 210 A CB -0.853 18.023 19.000 -0.206 0.000 0.819 210 A HN 0.348 nan 8.150 nan 0.000 0.442 211 L N 0.097 121.072 121.223 -0.414 0.000 1.994 211 L HA -0.145 4.195 4.340 0.000 0.000 0.208 211 L C 2.426 179.140 176.870 -0.260 0.000 1.071 211 L CA 2.001 56.606 54.840 -0.392 0.000 0.745 211 L CB -0.881 40.812 42.059 -0.611 0.000 0.892 211 L HN 0.378 nan 8.230 nan 0.000 0.431 212 R N -0.706 119.633 120.500 -0.269 0.000 2.119 212 R HA -0.227 4.113 4.340 0.000 0.000 0.246 212 R C 2.174 178.318 176.300 -0.261 0.000 1.146 212 R CA 1.597 57.531 56.100 -0.276 0.000 0.962 212 R CB -0.692 29.401 30.300 -0.345 0.000 0.863 212 R HN 0.561 nan 8.270 nan 0.000 0.442 213 A N 0.557 123.252 122.820 -0.209 0.000 1.898 213 A HA -0.114 4.206 4.320 0.000 0.000 0.216 213 A C 2.106 179.733 177.584 0.072 0.000 1.181 213 A CA 1.104 53.106 52.037 -0.058 0.000 0.620 213 A CB -0.281 18.728 19.000 0.016 0.000 0.819 213 A HN 0.174 nan 8.150 nan 0.000 0.442 214 I N -0.186 120.327 120.570 -0.094 0.000 2.286 214 I HA -0.210 3.960 4.170 0.000 0.000 0.245 214 I C 2.351 178.488 176.117 0.034 0.000 1.104 214 I CA 1.215 62.483 61.300 -0.053 0.000 1.397 214 I CB -0.087 37.694 38.000 -0.365 0.000 1.072 214 I HN 0.211 nan 8.210 nan 0.000 0.417 215 K N -0.007 120.364 120.400 -0.048 0.000 2.044 215 K HA -0.261 4.059 4.320 0.000 0.000 0.210 215 K C 2.121 178.614 176.600 -0.178 0.000 1.049 215 K CA 1.650 57.888 56.287 -0.081 0.000 0.927 215 K CB -0.667 31.779 32.500 -0.090 0.000 0.713 215 K HN 0.203 nan 8.250 nan 0.000 0.443 216 L N 0.366 121.492 121.223 -0.163 0.000 1.994 216 L HA -0.174 4.166 4.340 0.000 0.000 0.208 216 L C 2.246 179.115 176.870 -0.002 0.000 1.071 216 L CA 1.759 56.472 54.840 -0.212 0.000 0.745 216 L CB -0.722 41.046 42.059 -0.485 0.000 0.892 216 L HN 0.356 nan 8.230 nan 0.000 0.431 217 W N 0.331 121.661 121.300 0.051 0.000 2.358 217 W HA -0.176 4.484 4.660 0.000 0.000 0.303 217 W C 2.249 178.747 176.519 -0.035 0.000 1.208 217 W CA 2.360 59.812 57.345 0.177 0.000 1.274 217 W CB -0.462 29.181 29.460 0.305 0.000 1.138 217 W HN 0.259 nan 8.180 nan 0.000 0.515 218 A N 0.509 123.161 122.820 -0.280 0.000 1.883 218 A HA -0.286 4.034 4.320 0.000 0.000 0.217 218 A C 1.868 179.192 177.584 -0.433 0.000 1.186 218 A CA 2.181 53.822 52.037 -0.659 0.000 0.624 218 A CB -1.081 17.553 19.000 -0.610 0.000 0.822 218 A HN 0.529 nan 8.150 nan 0.000 0.444 219 Q N -0.893 118.701 119.800 -0.343 0.000 2.002 219 Q HA -0.180 4.160 4.340 0.000 0.000 0.204 219 Q C 2.436 178.271 176.000 -0.275 0.000 0.988 219 Q CA 1.816 57.418 55.803 -0.335 0.000 0.843 219 Q CB -0.173 28.337 28.738 -0.380 0.000 0.908 219 Q HN 0.445 nan 8.270 nan 0.000 0.420 220 R N 0.131 120.499 120.500 -0.219 0.000 2.105 220 R HA -0.070 4.270 4.340 0.000 0.000 0.239 220 R C 1.726 177.920 176.300 -0.177 0.000 1.135 220 R CA 1.076 57.097 56.100 -0.133 0.000 0.967 220 R CB -0.189 30.096 30.300 -0.024 0.000 0.861 220 R HN 0.165 nan 8.270 nan 0.000 0.442 221 R N -0.206 120.077 120.500 -0.362 0.000 2.317 221 R HA 0.195 4.535 4.340 0.000 0.000 0.208 221 R C 0.627 176.716 176.300 -0.352 0.000 0.914 221 R CA 0.422 56.295 56.100 -0.378 0.000 1.060 221 R CB -0.218 29.675 30.300 -0.679 0.000 1.015 221 R HN 0.239 nan 8.270 nan 0.000 0.498 222 A N 0.594 123.180 122.820 -0.390 0.000 2.914 222 A HA -0.154 4.166 4.320 0.000 0.000 0.280 222 A C 0.673 177.799 177.584 -0.763 0.000 1.447 222 A CA 0.872 52.603 52.037 -0.510 0.000 0.759 222 A CB -2.181 16.551 19.000 -0.445 0.000 1.034 222 A HN 0.253 nan 8.150 nan 0.000 0.529 223 V N -4.566 114.954 119.914 -0.658 0.000 2.909 223 V HA 0.565 4.685 4.120 0.000 0.000 0.362 223 V C 0.672 176.756 176.094 -0.017 0.000 1.356 223 V CA 0.769 62.630 62.300 -0.731 0.000 1.195 223 V CB -0.588 30.996 31.823 -0.399 0.000 1.256 223 V HN 0.750 nan 8.190 nan 0.000 0.567 224 Y N 1.699 121.908 120.300 -0.151 0.000 2.522 224 Y HA 0.692 5.242 4.550 0.000 0.000 0.277 224 Y C 1.721 177.747 175.900 0.210 0.000 1.104 224 Y CA 0.277 58.459 58.100 0.137 0.000 1.260 224 Y CB 0.496 38.940 38.460 -0.028 0.000 1.151 224 Y HN 0.417 nan 8.280 nan 0.000 0.539 225 A N 1.157 124.143 122.820 0.278 0.000 2.410 225 A HA 0.104 4.424 4.320 0.000 0.000 0.292 225 A C 0.981 178.700 177.584 0.225 0.000 1.232 225 A CA 0.188 52.392 52.037 0.279 0.000 0.893 225 A CB -0.471 18.765 19.000 0.394 0.000 1.131 225 A HN 0.637 nan 8.150 nan 0.000 0.530 226 N N 2.682 121.408 118.700 0.044 0.000 2.137 226 N HA -0.214 4.526 4.740 0.000 0.000 0.190 226 N C 1.333 176.777 175.510 -0.110 0.000 1.017 226 N CA 1.966 54.977 53.050 -0.065 0.000 0.859 226 N CB -0.251 38.158 38.487 -0.130 0.000 1.002 226 N HN 0.697 nan 8.380 nan 0.000 0.428 227 I N -0.613 119.871 120.570 -0.143 0.000 2.423 227 I HA -0.123 4.047 4.170 0.000 0.000 0.254 227 I C 0.582 176.455 176.117 -0.406 0.000 1.151 227 I CA 1.304 62.411 61.300 -0.320 0.000 1.421 227 I CB -0.246 37.489 38.000 -0.443 0.000 1.079 227 I HN 0.165 nan 8.210 nan 0.000 0.431 228 F N 0.337 120.271 119.950 -0.027 0.000 2.693 228 F HA 0.387 4.914 4.527 0.000 0.000 0.303 228 F C 1.735 177.423 175.800 -0.187 0.000 1.097 228 F CA 0.421 58.402 58.000 -0.032 0.000 1.330 228 F CB 0.100 39.153 39.000 0.089 0.000 1.067 228 F HN 0.134 nan 8.300 nan 0.000 0.565 229 G N -0.088 108.638 108.800 -0.123 0.000 2.141 229 G HA2 -0.273 3.687 3.960 0.000 0.000 0.231 229 G HA3 -0.273 3.687 3.960 0.000 0.000 0.231 229 G C -0.022 174.546 174.900 -0.554 0.000 0.984 229 G CA -0.541 44.355 45.100 -0.339 0.000 0.660 229 G HN 0.225 nan 8.290 nan 0.000 0.525 230 F N 0.581 120.504 119.950 -0.045 0.000 2.457 230 F HA 0.655 5.182 4.527 0.000 0.000 0.330 230 F C -1.809 173.892 175.800 -0.164 0.000 1.069 230 F CA -2.648 55.312 58.000 -0.067 0.000 1.009 230 F CB 1.146 40.173 39.000 0.044 0.000 1.276 230 F HN -0.178 nan 8.300 nan 0.000 0.492 231 P HA 0.212 nan 4.420 nan 0.000 0.275 231 P C -0.177 176.950 177.300 -0.288 0.000 1.228 231 P CA -0.206 62.653 63.100 -0.402 0.000 0.786 231 P CB 0.626 31.722 31.700 -1.007 0.000 0.927 232 G N 1.062 109.674 108.800 -0.313 0.000 2.525 232 G HA2 0.372 4.332 3.960 0.000 0.000 0.287 232 G HA3 0.372 4.332 3.960 0.000 0.000 0.287 232 G C 1.311 176.036 174.900 -0.291 0.000 1.350 232 G CA -0.186 44.716 45.100 -0.330 0.000 1.039 232 G HN 0.500 nan 8.290 nan 0.000 0.513 233 G N -1.164 107.485 108.800 -0.253 0.000 2.476 233 G HA2 -0.194 3.766 3.960 0.000 0.000 0.218 233 G HA3 -0.194 3.766 3.960 0.000 0.000 0.218 233 G C 1.690 176.683 174.900 0.155 0.000 1.164 233 G CA 1.496 46.644 45.100 0.079 0.000 0.768 233 G HN 0.451 nan 8.290 nan 0.000 0.560 234 V N 1.524 121.487 119.914 0.082 0.000 2.343 234 V HA -0.142 3.978 4.120 0.000 0.000 0.247 234 V C 3.310 179.432 176.094 0.046 0.000 1.051 234 V CA 2.058 64.409 62.300 0.085 0.000 1.036 234 V CB -0.870 30.983 31.823 0.049 0.000 0.654 234 V HN 0.508 nan 8.190 nan 0.000 0.451 235 A N -0.910 121.869 122.820 -0.069 0.000 1.877 235 A HA -0.232 4.088 4.320 0.000 0.000 0.216 235 A C 1.957 179.482 177.584 -0.098 0.000 1.186 235 A CA 1.845 53.778 52.037 -0.172 0.000 0.620 235 A CB -0.898 17.887 19.000 -0.359 0.000 0.822 235 A HN 0.650 nan 8.150 nan 0.000 0.443 236 W N -0.195 121.161 121.300 0.094 0.000 2.338 236 W HA -0.111 4.549 4.660 -0.000 0.000 0.304 236 W C 2.784 179.427 176.519 0.208 0.000 1.212 236 W CA 1.239 58.711 57.345 0.210 0.000 1.264 236 W CB -0.223 29.375 29.460 0.229 0.000 1.142 236 W HN 0.411 nan 8.180 nan 0.000 0.512 237 A N 0.213 123.266 122.820 0.388 0.000 1.883 237 A HA -0.266 4.054 4.320 0.000 0.000 0.217 237 A C 1.913 179.723 177.584 0.377 0.000 1.186 237 A CA 2.201 54.450 52.037 0.354 0.000 0.624 237 A CB -0.916 18.281 19.000 0.329 0.000 0.822 237 A HN 0.303 nan 8.150 nan 0.000 0.444 238 M N -1.233 118.507 119.600 0.234 0.000 2.175 238 M HA -0.098 4.382 4.480 0.000 0.000 0.264 238 M C 1.981 178.379 176.300 0.163 0.000 1.063 238 M CA 0.896 56.289 55.300 0.155 0.000 1.119 238 M CB -0.385 32.241 32.600 0.043 0.000 1.377 238 M HN 0.308 nan 8.290 nan 0.000 0.415 239 L N -0.071 121.268 121.223 0.193 0.000 2.012 239 L HA -0.153 4.187 4.340 0.000 0.000 0.210 239 L C 2.438 179.536 176.870 0.379 0.000 1.073 239 L CA 1.591 56.559 54.840 0.213 0.000 0.748 239 L CB -1.163 41.084 42.059 0.313 0.000 0.891 239 L HN 0.107 nan 8.230 nan 0.000 0.431 240 V N -0.386 119.833 119.914 0.508 0.000 2.343 240 V HA -0.272 3.848 4.120 0.000 0.000 0.247 240 V C 2.741 179.091 176.094 0.426 0.000 1.051 240 V CA 1.407 63.966 62.300 0.432 0.000 1.036 240 V CB -1.193 30.729 31.823 0.164 0.000 0.654 240 V HN 0.501 nan 8.190 nan 0.000 0.451 241 A N 0.492 123.592 122.820 0.467 0.000 1.892 241 A HA -0.318 4.002 4.320 0.000 0.000 0.218 241 A C 2.321 180.011 177.584 0.177 0.000 1.188 241 A CA 2.463 54.673 52.037 0.289 0.000 0.631 241 A CB -0.591 18.480 19.000 0.119 0.000 0.822 241 A HN 0.474 nan 8.150 nan 0.000 0.447 242 R N -0.153 120.433 120.500 0.142 0.000 2.091 242 R HA -0.103 4.237 4.340 0.000 0.000 0.238 242 R C 1.697 178.084 176.300 0.144 0.000 1.136 242 R CA 1.854 58.012 56.100 0.098 0.000 0.959 242 R CB -0.444 29.863 30.300 0.011 0.000 0.856 242 R HN 0.495 nan 8.270 nan 0.000 0.437 243 I N -0.294 120.390 120.570 0.188 0.000 2.439 243 I HA -0.206 3.964 4.170 0.000 0.000 0.251 243 I C 2.211 178.509 176.117 0.301 0.000 1.139 243 I CA 0.648 62.099 61.300 0.252 0.000 1.438 243 I CB -1.507 36.650 38.000 0.263 0.000 1.085 243 I HN 0.219 nan 8.210 nan 0.000 0.427 244 C N 0.730 120.189 119.300 0.266 0.000 2.413 244 C HA -0.176 4.284 4.460 0.000 0.000 0.276 244 C C 2.867 177.990 174.990 0.221 0.000 1.248 244 C CA 0.707 59.877 59.018 0.253 0.000 1.742 244 C CB -1.113 26.783 27.740 0.260 0.000 2.017 244 C HN 0.545 nan 8.230 nan 0.000 0.481 245 Q N 0.178 120.084 119.800 0.175 0.000 2.170 245 Q HA -0.120 4.220 4.340 0.000 0.000 0.203 245 Q C 2.039 178.144 176.000 0.176 0.000 0.976 245 Q CA 1.208 57.112 55.803 0.169 0.000 0.858 245 Q CB -0.216 28.596 28.738 0.122 0.000 0.907 245 Q HN 0.684 nan 8.270 nan 0.000 0.433 246 L N -1.133 120.154 121.223 0.108 0.000 2.341 246 L HA -0.044 4.296 4.340 0.000 0.000 0.214 246 L C 0.237 176.889 176.870 -0.364 0.000 1.115 246 L CA 0.527 55.292 54.840 -0.126 0.000 0.820 246 L CB 0.311 42.280 42.059 -0.150 0.000 0.944 246 L HN 0.205 nan 8.230 nan 0.000 0.452 247 Y N -0.799 119.566 120.300 0.109 0.000 2.562 247 Y HA 0.245 4.795 4.550 0.000 0.000 0.363 247 Y C -1.559 174.415 175.900 0.122 0.000 0.991 247 Y CA -1.959 56.196 58.100 0.092 0.000 1.121 247 Y CB 0.168 38.674 38.460 0.077 0.000 1.159 247 Y HN -0.060 nan 8.280 nan 0.000 0.651 248 P HA -0.170 nan 4.420 nan 0.000 0.218 248 P C 0.402 177.833 177.300 0.219 0.000 1.148 248 P CA 1.608 64.878 63.100 0.283 0.000 0.822 248 P CB 0.571 32.534 31.700 0.439 0.000 0.784 249 N N -1.050 117.760 118.700 0.185 0.000 2.187 249 N HA 0.187 4.927 4.740 0.000 0.000 0.212 249 N C 0.551 176.144 175.510 0.138 0.000 1.152 249 N CA -0.106 53.031 53.050 0.144 0.000 0.872 249 N CB 0.584 39.138 38.487 0.112 0.000 1.025 249 N HN 0.083 nan 8.380 nan 0.000 0.514 250 A N 0.920 123.842 122.820 0.169 0.000 2.366 250 A HA 0.327 4.647 4.320 0.000 0.000 0.249 250 A C 1.050 178.701 177.584 0.111 0.000 1.084 250 A CA -0.473 51.648 52.037 0.139 0.000 0.794 250 A CB 0.232 19.313 19.000 0.136 0.000 1.034 250 A HN 0.445 nan 8.150 nan 0.000 0.491 251 C N 0.120 119.478 119.300 0.097 0.000 2.500 251 C HA 0.546 5.006 4.460 0.000 0.000 0.367 251 C C 1.729 176.765 174.990 0.076 0.000 1.283 251 C CA 0.064 59.132 59.018 0.083 0.000 2.456 251 C CB 0.246 28.034 27.740 0.080 0.000 2.457 251 C HN 0.796 nan 8.230 nan 0.000 0.632 252 S N 1.135 116.862 115.700 0.045 0.000 2.419 252 S HA -0.074 4.396 4.470 0.000 0.000 0.233 252 S C 2.114 176.727 174.600 0.022 0.000 1.016 252 S CA 1.447 59.653 58.200 0.009 0.000 0.974 252 S CB -0.581 62.595 63.200 -0.041 0.000 0.786 252 S HN 1.053 nan 8.310 nan 0.000 0.492 253 A N 1.222 124.098 122.820 0.095 0.000 1.877 253 A HA -0.028 4.292 4.320 0.000 0.000 0.216 253 A C 2.338 180.187 177.584 0.442 0.000 1.186 253 A CA 1.390 53.600 52.037 0.288 0.000 0.620 253 A CB -0.921 18.292 19.000 0.355 0.000 0.822 253 A HN 0.337 nan 8.150 nan 0.000 0.443 254 V N 0.769 120.883 119.914 0.334 0.000 2.343 254 V HA -0.258 3.862 4.120 0.000 0.000 0.247 254 V C 2.456 178.505 176.094 -0.074 0.000 1.051 254 V CA 1.786 64.163 62.300 0.128 0.000 1.036 254 V CB -0.612 31.237 31.823 0.043 0.000 0.654 254 V HN 0.526 nan 8.190 nan 0.000 0.451 255 I N -0.258 120.286 120.570 -0.043 0.000 2.194 255 I HA -0.283 3.887 4.170 0.000 0.000 0.246 255 I C 2.367 178.421 176.117 -0.105 0.000 1.093 255 I CA 1.955 63.212 61.300 -0.071 0.000 1.355 255 I CB -1.019 36.984 38.000 0.005 0.000 1.046 255 I HN 0.312 nan 8.210 nan 0.000 0.413 256 L N 0.216 121.372 121.223 -0.112 0.000 2.017 256 L HA -0.241 4.099 4.340 0.000 0.000 0.208 256 L C 2.490 179.238 176.870 -0.204 0.000 1.073 256 L CA 1.608 56.286 54.840 -0.269 0.000 0.745 256 L CB -0.941 41.065 42.059 -0.088 0.000 0.894 256 L HN 0.402 nan 8.230 nan 0.000 0.432 257 N N 0.360 119.056 118.700 -0.007 0.000 2.036 257 N HA -0.232 4.508 4.740 0.000 0.000 0.195 257 N C 2.046 177.501 175.510 -0.091 0.000 1.037 257 N CA 1.521 54.537 53.050 -0.057 0.000 0.855 257 N CB 0.115 38.363 38.487 -0.398 0.000 1.033 257 N HN 0.185 nan 8.380 nan 0.000 0.423 258 R N 0.369 120.757 120.500 -0.187 0.000 2.115 258 R HA -0.062 4.278 4.340 0.000 0.000 0.230 258 R C 2.033 178.303 176.300 -0.051 0.000 1.111 258 R CA 0.476 56.472 56.100 -0.173 0.000 0.976 258 R CB -1.625 28.397 30.300 -0.463 0.000 0.870 258 R HN 0.403 nan 8.270 nan 0.000 0.445 259 F N 0.700 120.481 119.950 -0.281 0.000 2.065 259 F HA -0.253 4.274 4.527 0.000 0.000 0.298 259 F C 1.832 177.390 175.800 -0.403 0.000 1.112 259 F CA 1.686 59.462 58.000 -0.374 0.000 1.212 259 F CB -0.339 38.313 39.000 -0.580 0.000 0.975 259 F HN -0.082 nan 8.300 nan 0.000 0.476 260 F N 0.255 120.250 119.950 0.075 0.000 2.163 260 F HA -0.135 4.392 4.527 0.000 0.000 0.297 260 F C 2.256 178.001 175.800 -0.092 0.000 1.094 260 F CA 1.059 59.028 58.000 -0.051 0.000 1.290 260 F CB -0.530 38.512 39.000 0.071 0.000 1.017 260 F HN -0.054 nan 8.300 nan 0.000 0.483 261 I N 0.095 120.737 120.570 0.120 0.000 2.090 261 I HA -0.303 3.867 4.170 0.000 0.000 0.236 261 I C 2.272 178.411 176.117 0.036 0.000 1.064 261 I CA 1.499 62.844 61.300 0.074 0.000 1.324 261 I CB -0.626 37.397 38.000 0.039 0.000 1.044 261 I HN 0.027 nan 8.210 nan 0.000 0.399 262 I N 0.684 121.260 120.570 0.011 0.000 2.151 262 I HA -0.316 3.854 4.170 0.000 0.000 0.243 262 I C 2.398 178.542 176.117 0.045 0.000 1.080 262 I CA 1.756 63.090 61.300 0.057 0.000 1.339 262 I CB -0.323 37.744 38.000 0.112 0.000 1.039 262 I HN 0.182 nan 8.210 nan 0.000 0.409 263 L N -0.415 120.682 121.223 -0.210 0.000 2.313 263 L HA -0.089 4.251 4.340 0.000 0.000 0.214 263 L C 2.484 179.364 176.870 0.016 0.000 1.119 263 L CA 1.229 55.868 54.840 -0.336 0.000 0.809 263 L CB -0.578 40.835 42.059 -1.077 0.000 0.933 263 L HN 0.385 nan 8.230 nan 0.000 0.449 264 S N -1.283 114.462 115.700 0.075 0.000 2.470 264 S HA -0.069 4.401 4.470 0.000 0.000 0.225 264 S C 1.560 176.326 174.600 0.277 0.000 1.006 264 S CA 0.316 58.727 58.200 0.351 0.000 0.934 264 S CB 0.034 63.445 63.200 0.352 0.000 0.778 264 S HN 0.428 nan 8.310 nan 0.000 0.517 265 E N -0.127 120.171 120.200 0.163 0.000 2.400 265 E HA 0.108 4.458 4.350 0.000 0.000 0.195 265 E C 0.119 176.733 176.600 0.023 0.000 1.012 265 E CA -0.532 55.923 56.400 0.092 0.000 0.875 265 E CB 0.073 29.799 29.700 0.043 0.000 0.859 265 E HN 0.572 nan 8.360 nan 0.000 0.498 266 W N 2.613 123.764 121.300 -0.249 0.000 2.391 266 W HA -0.090 4.570 4.660 0.000 0.000 0.339 266 W C 0.422 176.574 176.519 -0.611 0.000 1.252 266 W CA 0.460 57.462 57.345 -0.571 0.000 1.304 266 W CB 0.244 29.080 29.460 -1.041 0.000 1.179 266 W HN -0.026 nan 8.180 nan 0.000 0.567 267 N N 6.314 124.613 118.700 -0.668 0.000 3.193 267 N HA -0.018 4.722 4.740 0.000 0.000 0.312 267 N C -0.511 174.949 175.510 -0.082 0.000 1.261 267 N CA -0.230 52.626 53.050 -0.323 0.000 1.208 267 N CB -0.592 37.690 38.487 -0.341 0.000 1.471 267 N HN 0.251 nan 8.380 nan 0.000 0.548 268 W N 1.212 122.679 121.300 0.279 0.000 2.231 268 W HA 0.119 4.779 4.660 0.000 0.000 0.341 268 W C -0.934 175.691 176.519 0.177 0.000 1.298 268 W CA -1.458 56.060 57.345 0.288 0.000 1.266 268 W CB 0.334 29.948 29.460 0.256 0.000 1.172 268 W HN 0.361 nan 8.180 nan 0.000 0.568 269 P HA -0.030 nan 4.420 nan 0.000 0.249 269 P C -0.315 177.318 177.300 0.555 0.000 1.544 269 P CA -0.017 63.420 63.100 0.562 0.000 0.932 269 P CB 0.232 32.160 31.700 0.380 0.000 1.524 270 Q N 2.979 123.033 119.800 0.423 0.000 2.269 270 Q HA 0.058 4.398 4.340 0.000 0.000 0.300 270 Q C -2.027 174.336 176.000 0.606 0.000 1.070 270 Q CA -0.775 55.247 55.803 0.365 0.000 0.957 270 Q CB 0.130 28.908 28.738 0.066 0.000 1.131 270 Q HN 0.266 nan 8.270 nan 0.000 0.377 271 P HA 0.041 nan 4.420 nan 0.000 0.278 271 P C -1.010 176.471 177.300 0.303 0.000 1.238 271 P CA -0.273 63.040 63.100 0.355 0.000 0.794 271 P CB 0.908 32.718 31.700 0.183 0.000 0.955 272 V N 4.699 124.671 119.914 0.096 0.000 2.408 272 V HA 0.250 4.370 4.120 0.000 0.000 0.267 272 V C 0.658 176.738 176.094 -0.024 0.000 1.047 272 V CA 0.039 62.308 62.300 -0.052 0.000 0.937 272 V CB -0.165 31.509 31.823 -0.248 0.000 0.999 272 V HN 0.356 nan 8.190 nan 0.000 0.472 273 I N 5.401 126.000 120.570 0.048 0.000 2.582 273 I HA 0.369 4.539 4.170 0.000 0.000 0.292 273 I C 0.414 176.561 176.117 0.049 0.000 1.066 273 I CA -0.550 60.775 61.300 0.041 0.000 1.053 273 I CB 2.506 40.560 38.000 0.090 0.000 1.241 273 I HN 0.434 nan 8.210 nan 0.000 0.421 274 L N 3.873 125.113 121.223 0.028 0.000 2.463 274 L HA 0.195 4.535 4.340 0.000 0.000 0.219 274 L C 0.417 177.303 176.870 0.027 0.000 1.088 274 L CA 0.547 55.401 54.840 0.025 0.000 0.849 274 L CB 0.048 42.109 42.059 0.003 0.000 1.012 274 L HN 0.658 nan 8.230 nan 0.000 0.468 275 K N -1.303 119.118 120.400 0.036 0.000 2.597 275 K HA 0.466 4.786 4.320 0.000 0.000 0.282 275 K C -2.983 173.651 176.600 0.057 0.000 0.975 275 K CA -1.633 54.676 56.287 0.038 0.000 0.867 275 K CB 0.934 33.446 32.500 0.020 0.000 1.465 275 K HN -0.370 nan 8.250 nan 0.000 0.417 276 P HA 0.036 nan 4.420 nan 0.000 0.264 276 P C -0.593 176.758 177.300 0.084 0.000 1.183 276 P CA 0.096 63.239 63.100 0.072 0.000 0.763 276 P CB 0.259 31.992 31.700 0.055 0.000 0.807 277 I N 3.089 123.728 120.570 0.115 0.000 2.578 277 I HA -0.018 4.152 4.170 0.000 0.000 0.286 277 I C 1.211 177.406 176.117 0.130 0.000 1.126 277 I CA 0.320 61.706 61.300 0.145 0.000 1.380 277 I CB -0.089 38.031 38.000 0.201 0.000 1.408 277 I HN 0.364 nan 8.210 nan 0.000 0.532 278 E N 4.485 124.762 120.200 0.129 0.000 2.376 278 E HA 0.191 4.541 4.350 0.000 0.000 0.254 278 E C -0.647 176.015 176.600 0.102 0.000 1.213 278 E CA -0.546 55.899 56.400 0.075 0.000 0.945 278 E CB 0.803 30.509 29.700 0.010 0.000 1.057 278 E HN 0.435 nan 8.360 nan 0.000 0.479 279 D N -1.543 118.835 120.400 -0.037 0.000 2.392 279 D HA 0.638 5.278 4.640 0.000 0.000 0.246 279 D C -0.424 175.565 176.300 -0.518 0.000 1.013 279 D CA -0.457 53.492 54.000 -0.086 0.000 0.993 279 D CB 1.754 42.542 40.800 -0.021 0.000 1.219 279 D HN 0.449 nan 8.370 nan 0.000 0.538 280 G N -0.129 108.317 108.800 -0.589 0.000 2.677 280 G HA2 0.479 4.439 3.960 0.000 0.000 0.283 280 G HA3 0.479 4.439 3.960 0.000 0.000 0.283 280 G C -2.412 172.389 174.900 -0.165 0.000 1.221 280 G CA -0.537 44.167 45.100 -0.659 0.000 0.851 280 G HN 0.444 nan 8.290 nan 0.000 0.504 281 P HA 0.572 nan 4.420 nan 0.000 0.330 281 P C -0.556 176.837 177.300 0.155 0.000 1.414 281 P CA -0.449 62.684 63.100 0.055 0.000 0.878 281 P CB 0.073 31.796 31.700 0.037 0.000 2.176 282 L N -2.739 118.555 121.223 0.118 0.000 0.917 282 L HA -0.164 4.176 4.340 0.000 0.000 0.366 282 L C 1.915 178.834 176.870 0.082 0.000 1.004 282 L CA 1.348 56.250 54.840 0.104 0.000 1.219 282 L CB -2.166 39.971 42.059 0.130 0.000 0.252 282 L HN 0.638 nan 8.230 nan 0.000 0.192 283 Q N 2.521 122.346 119.800 0.040 0.000 2.297 283 Q HA 0.085 4.425 4.340 0.000 0.000 0.208 283 Q C 0.998 177.006 176.000 0.014 0.000 0.981 283 Q CA 1.797 57.616 55.803 0.027 0.000 0.876 283 Q CB -0.813 27.931 28.738 0.010 0.000 0.921 283 Q HN 1.045 nan 8.270 nan 0.000 0.446 284 V N 1.261 121.170 119.914 -0.008 0.000 2.720 284 V HA 0.168 4.288 4.120 0.000 0.000 0.307 284 V C 0.589 176.667 176.094 -0.027 0.000 1.071 284 V CA -0.260 62.008 62.300 -0.052 0.000 1.199 284 V CB -0.212 31.538 31.823 -0.122 0.000 0.900 284 V HN 0.791 nan 8.190 nan 0.000 0.494 285 R N 3.414 123.867 120.500 -0.078 0.000 2.560 285 R HA 0.745 5.085 4.340 0.000 0.000 0.270 285 R C -0.703 175.553 176.300 -0.074 0.000 1.074 285 R CA -0.837 55.208 56.100 -0.091 0.000 1.140 285 R CB 0.742 30.816 30.300 -0.376 0.000 1.073 285 R HN 0.465 nan 8.270 nan 0.000 0.527 286 V N -0.094 119.846 119.914 0.043 0.000 3.193 286 V HA 0.248 4.368 4.120 0.000 0.000 0.320 286 V C -0.607 175.595 176.094 0.180 0.000 1.112 286 V CA -1.061 61.309 62.300 0.116 0.000 1.026 286 V CB 1.389 33.335 31.823 0.205 0.000 1.128 286 V HN 0.808 nan 8.190 nan 0.000 0.452 287 W N 2.841 124.184 121.300 0.072 0.000 2.368 287 W HA 0.372 5.032 4.660 -0.000 0.000 0.316 287 W C 0.311 176.945 176.519 0.192 0.000 1.375 287 W CA 0.347 57.767 57.345 0.125 0.000 1.261 287 W CB 0.166 29.695 29.460 0.115 0.000 1.298 287 W HN 0.681 nan 8.180 nan 0.000 0.539 288 N N 7.769 126.272 118.700 -0.328 0.000 3.049 288 N HA 0.030 4.770 4.740 0.000 0.000 0.241 288 N C -2.164 173.075 175.510 -0.452 0.000 1.323 288 N CA -0.928 51.922 53.050 -0.334 0.000 0.824 288 N CB 1.542 40.026 38.487 -0.004 0.000 1.557 288 N HN 0.114 nan 8.380 nan 0.000 0.612 289 P HA -0.080 nan 4.420 nan 0.000 0.230 289 P C 0.720 177.865 177.300 -0.258 0.000 1.158 289 P CA 0.834 63.660 63.100 -0.455 0.000 0.769 289 P CB 0.368 31.814 31.700 -0.424 0.000 0.807 290 K N -1.025 119.236 120.400 -0.232 0.000 2.217 290 K HA -0.027 4.293 4.320 0.000 0.000 0.202 290 K C 1.633 178.102 176.600 -0.220 0.000 1.051 290 K CA 0.946 57.130 56.287 -0.172 0.000 0.952 290 K CB -0.139 32.286 32.500 -0.125 0.000 0.736 290 K HN 0.136 nan 8.250 nan 0.000 0.453 291 I N -1.369 118.997 120.570 -0.341 0.000 3.718 291 I HA -0.003 4.167 4.170 0.000 0.000 0.297 291 I C -0.336 175.419 176.117 -0.603 0.000 1.220 291 I CA 0.108 61.092 61.300 -0.525 0.000 1.381 291 I CB 0.572 38.127 38.000 -0.741 0.000 1.238 291 I HN -0.111 nan 8.210 nan 0.000 0.448 292 Y N -0.055 120.147 120.300 -0.163 0.000 2.331 292 Y HA 0.585 5.135 4.550 0.000 0.000 0.338 292 Y C 1.087 176.877 175.900 -0.184 0.000 0.976 292 Y CA -0.842 57.162 58.100 -0.159 0.000 1.137 292 Y CB 1.124 39.484 38.460 -0.167 0.000 1.172 292 Y HN -0.058 nan 8.280 nan 0.000 0.478 293 A N 2.456 125.278 122.820 0.004 0.000 2.016 293 A HA -0.116 4.204 4.320 0.000 0.000 0.217 293 A C 2.003 179.544 177.584 -0.071 0.000 1.162 293 A CA 0.760 52.768 52.037 -0.049 0.000 0.662 293 A CB -0.232 18.747 19.000 -0.034 0.000 0.812 293 A HN 0.828 nan 8.150 nan 0.000 0.450 294 Q N 0.246 120.012 119.800 -0.056 0.000 2.170 294 Q HA -0.199 4.141 4.340 0.000 0.000 0.203 294 Q C 0.339 176.193 176.000 -0.244 0.000 0.976 294 Q CA 1.550 57.294 55.803 -0.099 0.000 0.858 294 Q CB -0.713 27.989 28.738 -0.060 0.000 0.907 294 Q HN 0.527 nan 8.270 nan 0.000 0.433 295 D N 1.095 121.331 120.400 -0.273 0.000 2.348 295 D HA -0.026 4.614 4.640 0.000 0.000 0.216 295 D C 1.659 177.745 176.300 -0.356 0.000 0.970 295 D CA 0.415 54.141 54.000 -0.458 0.000 0.889 295 D CB -0.094 40.306 40.800 -0.666 0.000 0.912 295 D HN 0.307 nan 8.370 nan 0.000 0.524 296 R N 0.250 120.614 120.500 -0.226 0.000 2.235 296 R HA -0.001 4.339 4.340 0.000 0.000 0.213 296 R C 1.900 178.172 176.300 -0.046 0.000 1.059 296 R CA 0.782 56.825 56.100 -0.094 0.000 0.997 296 R CB 0.094 30.353 30.300 -0.069 0.000 0.884 296 R HN 0.125 nan 8.270 nan 0.000 0.462 297 S N -0.852 114.774 115.700 -0.122 0.000 2.558 297 S HA -0.009 4.461 4.470 0.000 0.000 0.217 297 S C 0.241 174.891 174.600 0.083 0.000 0.975 297 S CA -0.145 58.041 58.200 -0.024 0.000 0.912 297 S CB -0.268 62.919 63.200 -0.022 0.000 0.776 297 S HN 0.366 nan 8.310 nan 0.000 0.526 298 H N 1.585 120.761 119.070 0.176 0.000 2.899 298 H HA 0.289 4.845 4.556 0.000 0.000 0.303 298 H C 1.173 176.585 175.328 0.141 0.000 1.042 298 H CA -0.521 55.631 56.048 0.173 0.000 1.479 298 H CB 0.668 30.595 29.762 0.275 0.000 1.493 298 H HN 0.221 nan 8.280 nan 0.000 0.534 299 R N 2.576 123.173 120.500 0.161 0.000 2.127 299 R HA 0.095 4.435 4.340 0.000 0.000 0.217 299 R C 0.137 176.441 176.300 0.007 0.000 1.074 299 R CA 0.917 57.065 56.100 0.079 0.000 0.991 299 R CB 0.410 30.705 30.300 -0.009 0.000 0.895 299 R HN 0.562 nan 8.270 nan 0.000 0.450 300 M N 1.027 120.532 119.600 -0.157 0.000 2.353 300 M HA 0.309 4.789 4.480 0.000 0.000 0.218 300 M C -2.605 173.549 176.300 -0.243 0.000 1.044 300 M CA -1.890 53.103 55.300 -0.511 0.000 0.615 300 M CB 2.257 34.195 32.600 -1.104 0.000 1.531 300 M HN -0.312 nan 8.290 nan 0.000 0.378 301 P HA 0.168 nan 4.420 nan 0.000 0.276 301 P C -0.719 176.507 177.300 -0.123 0.000 1.243 301 P CA -0.145 62.917 63.100 -0.064 0.000 0.768 301 P CB 0.821 32.525 31.700 0.007 0.000 0.856 302 V N 5.592 125.356 119.914 -0.251 0.000 2.376 302 V HA 0.300 4.420 4.120 0.000 0.000 0.287 302 V C 0.032 175.952 176.094 -0.290 0.000 1.015 302 V CA -0.594 61.569 62.300 -0.228 0.000 0.834 302 V CB 1.301 32.994 31.823 -0.217 0.000 1.001 302 V HN 0.370 nan 8.190 nan 0.000 0.428 303 I N 4.145 124.539 120.570 -0.293 0.000 2.315 303 I HA 0.281 4.451 4.170 0.000 0.000 0.291 303 I C 1.059 177.086 176.117 -0.151 0.000 1.006 303 I CA -0.190 60.924 61.300 -0.309 0.000 1.265 303 I CB 1.480 39.255 38.000 -0.376 0.000 1.387 303 I HN 0.730 nan 8.210 nan 0.000 0.475 304 T N 5.190 119.672 114.554 -0.121 0.000 2.934 304 T HA 0.129 4.479 4.350 0.000 0.000 0.306 304 T C -1.483 173.201 174.700 -0.028 0.000 1.042 304 T CA -0.867 61.196 62.100 -0.063 0.000 1.145 304 T CB 0.665 69.498 68.868 -0.057 0.000 0.982 304 T HN 0.475 nan 8.240 nan 0.000 0.544 305 P HA 0.120 nan 4.420 nan 0.000 0.221 305 P C 0.582 177.901 177.300 0.031 0.000 1.155 305 P CA 0.418 63.525 63.100 0.011 0.000 0.812 305 P CB -0.131 31.568 31.700 -0.000 0.000 0.801 306 A N 0.236 123.066 122.820 0.017 0.000 2.440 306 A HA 0.085 4.405 4.320 0.000 0.000 0.251 306 A C -0.340 177.286 177.584 0.070 0.000 1.089 306 A CA -0.312 51.747 52.037 0.037 0.000 0.779 306 A CB -0.844 18.154 19.000 -0.003 0.000 1.022 306 A HN 0.153 nan 8.150 nan 0.000 0.492 307 Y N 4.584 124.876 120.300 -0.012 0.000 2.717 307 Y HA 0.312 4.863 4.550 0.000 0.000 0.330 307 Y C -1.994 173.897 175.900 -0.016 0.000 1.217 307 Y CA -1.297 56.801 58.100 -0.003 0.000 1.506 307 Y CB 0.475 38.933 38.460 -0.003 0.000 1.268 307 Y HN 0.470 nan 8.280 nan 0.000 0.561 308 P HA 0.173 nan 4.420 nan 0.000 0.297 308 P C -0.917 176.281 177.300 -0.171 0.000 1.331 308 P CA -0.496 62.236 63.100 -0.614 0.000 0.803 308 P CB 1.312 32.565 31.700 -0.745 0.000 0.929 309 S N 3.465 119.162 115.700 -0.005 0.000 2.596 309 S HA 0.187 4.657 4.470 0.000 0.000 0.298 309 S C 0.590 175.224 174.600 0.056 0.000 1.255 309 S CA 0.160 58.386 58.200 0.043 0.000 1.083 309 S CB -0.719 62.552 63.200 0.119 0.000 0.837 309 S HN 0.473 nan 8.310 nan 0.000 0.499 310 M N 2.749 122.347 119.600 -0.004 0.000 2.716 310 M HA 0.626 5.106 4.480 0.000 0.000 0.307 310 M C -0.525 175.702 176.300 -0.122 0.000 1.223 310 M CA -0.869 54.434 55.300 0.006 0.000 0.871 310 M CB 1.037 33.629 32.600 -0.013 0.000 1.739 310 M HN 0.388 nan 8.290 nan 0.000 0.475 311 C N 2.390 121.592 119.300 -0.163 0.000 2.464 311 C HA 0.741 5.201 4.460 0.000 0.000 0.370 311 C C 1.534 176.409 174.990 -0.190 0.000 1.267 311 C CA 0.294 59.097 59.018 -0.358 0.000 1.781 311 C CB -0.640 26.792 27.740 -0.513 0.000 2.431 311 C HN 0.994 nan 8.230 nan 0.000 0.556 312 A N 3.914 126.596 122.820 -0.230 0.000 2.119 312 A HA 0.072 4.392 4.320 0.000 0.000 0.216 312 A C 1.586 178.976 177.584 -0.324 0.000 1.152 312 A CA 1.519 53.431 52.037 -0.208 0.000 0.708 312 A CB -0.342 18.545 19.000 -0.188 0.000 0.805 312 A HN 1.101 nan 8.150 nan 0.000 0.460 313 T N -2.835 111.500 114.554 -0.366 0.000 3.331 313 T HA 0.258 4.608 4.350 0.000 0.000 0.282 313 T C 0.757 175.211 174.700 -0.410 0.000 1.010 313 T CA 0.264 62.116 62.100 -0.413 0.000 0.928 313 T CB -0.868 67.777 68.868 -0.372 0.000 1.154 313 T HN 0.712 nan 8.240 nan 0.000 0.516 314 H N 0.158 119.025 119.070 -0.338 0.000 2.518 314 H HA 0.136 4.693 4.556 0.000 0.000 0.289 314 H C 1.724 176.970 175.328 -0.137 0.000 1.051 314 H CA 1.016 56.879 56.048 -0.309 0.000 1.280 314 H CB -0.464 29.061 29.762 -0.395 0.000 1.380 314 H HN 0.229 nan 8.280 nan 0.000 0.566 315 N N 0.722 119.192 118.700 -0.384 0.000 2.396 315 N HA -0.005 4.735 4.740 0.000 0.000 0.180 315 N C 0.117 175.515 175.510 -0.186 0.000 1.028 315 N CA 0.326 53.246 53.050 -0.215 0.000 0.893 315 N CB -0.100 38.214 38.487 -0.288 0.000 0.967 315 N HN 0.404 nan 8.380 nan 0.000 0.440 316 I N 1.382 121.818 120.570 -0.224 0.000 2.752 316 I HA -0.118 4.052 4.170 0.000 0.000 0.289 316 I C 1.210 177.226 176.117 -0.169 0.000 1.197 316 I CA 0.281 61.434 61.300 -0.245 0.000 1.432 316 I CB 0.333 38.171 38.000 -0.270 0.000 1.359 316 I HN 0.128 nan 8.210 nan 0.000 0.571 317 T N 1.238 115.675 114.554 -0.195 0.000 2.910 317 T HA 0.236 4.586 4.350 0.000 0.000 0.279 317 T C 0.918 175.547 174.700 -0.119 0.000 0.989 317 T CA -0.683 61.340 62.100 -0.128 0.000 0.968 317 T CB 1.588 70.384 68.868 -0.120 0.000 1.135 317 T HN 0.675 nan 8.240 nan 0.000 0.562 318 E N 0.184 120.339 120.200 -0.077 0.000 2.070 318 E HA -0.162 4.188 4.350 0.000 0.000 0.197 318 E C 2.199 178.752 176.600 -0.077 0.000 1.004 318 E CA 1.714 58.078 56.400 -0.059 0.000 0.805 318 E CB -0.246 29.432 29.700 -0.036 0.000 0.744 318 E HN 0.681 nan 8.360 nan 0.000 0.451 319 S N -0.269 115.375 115.700 -0.093 0.000 2.368 319 S HA -0.141 4.329 4.470 0.000 0.000 0.224 319 S C 2.193 176.706 174.600 -0.144 0.000 1.029 319 S CA 1.658 59.800 58.200 -0.096 0.000 0.988 319 S CB -0.439 62.713 63.200 -0.081 0.000 0.838 319 S HN 0.541 nan 8.310 nan 0.000 0.462 320 T N 0.634 115.046 114.554 -0.237 0.000 2.915 320 T HA 0.008 4.358 4.350 0.000 0.000 0.269 320 T C 1.639 176.208 174.700 -0.219 0.000 1.071 320 T CA 1.134 63.008 62.100 -0.377 0.000 1.132 320 T CB -0.252 68.109 68.868 -0.844 0.000 0.878 320 T HN 0.306 nan 8.240 nan 0.000 0.479 321 K N 1.295 121.581 120.400 -0.189 0.000 2.032 321 K HA -0.120 4.200 4.320 0.000 0.000 0.209 321 K C 2.403 178.958 176.600 -0.076 0.000 1.048 321 K CA 1.263 57.460 56.287 -0.150 0.000 0.927 321 K CB -0.123 32.295 32.500 -0.135 0.000 0.712 321 K HN 0.325 nan 8.250 nan 0.000 0.441 322 K N 0.223 120.594 120.400 -0.049 0.000 2.097 322 K HA -0.110 4.210 4.320 0.000 0.000 0.206 322 K C 2.035 178.634 176.600 -0.002 0.000 1.049 322 K CA 1.296 57.581 56.287 -0.004 0.000 0.933 322 K CB -0.024 32.479 32.500 0.004 0.000 0.717 322 K HN 0.034 nan 8.250 nan 0.000 0.442 323 V N 1.620 121.514 119.914 -0.033 0.000 2.379 323 V HA -0.200 3.920 4.120 0.000 0.000 0.245 323 V C 2.149 178.247 176.094 0.007 0.000 1.044 323 V CA 1.432 63.719 62.300 -0.021 0.000 1.036 323 V CB -0.305 31.448 31.823 -0.116 0.000 0.664 323 V HN 0.233 nan 8.190 nan 0.000 0.453 324 I N -0.498 120.073 120.570 0.002 0.000 2.226 324 I HA -0.246 3.924 4.170 0.000 0.000 0.245 324 I C 2.299 178.216 176.117 -0.334 0.000 1.100 324 I CA 1.495 62.699 61.300 -0.160 0.000 1.374 324 I CB -0.286 37.625 38.000 -0.148 0.000 1.057 324 I HN 0.243 nan 8.210 nan 0.000 0.413 325 L N -0.138 121.041 121.223 -0.072 0.000 2.027 325 L HA -0.240 4.100 4.340 0.000 0.000 0.206 325 L C 2.665 179.638 176.870 0.171 0.000 1.074 325 L CA 1.492 56.416 54.840 0.139 0.000 0.745 325 L CB -0.626 41.553 42.059 0.202 0.000 0.898 325 L HN 0.308 nan 8.230 nan 0.000 0.433 326 Q N -0.333 119.530 119.800 0.105 0.000 2.077 326 Q HA -0.238 4.102 4.340 0.000 0.000 0.206 326 Q C 2.184 178.271 176.000 0.144 0.000 0.989 326 Q CA 1.533 57.407 55.803 0.118 0.000 0.853 326 Q CB -0.029 28.760 28.738 0.085 0.000 0.907 326 Q HN 0.376 nan 8.270 nan 0.000 0.418 327 E N 0.161 120.431 120.200 0.117 0.000 2.118 327 E HA -0.161 4.189 4.350 0.000 0.000 0.195 327 E C 1.781 178.642 176.600 0.435 0.000 0.992 327 E CA 1.074 57.608 56.400 0.223 0.000 0.804 327 E CB -0.331 29.455 29.700 0.143 0.000 0.741 327 E HN 0.447 nan 8.360 nan 0.000 0.458 328 F N 0.335 120.535 119.950 0.417 0.000 2.134 328 F HA -0.209 4.318 4.527 0.000 0.000 0.299 328 F C 2.481 178.399 175.800 0.196 0.000 1.097 328 F CA 0.428 58.668 58.000 0.401 0.000 1.264 328 F CB -0.146 39.112 39.000 0.429 0.000 1.001 328 F HN -0.103 nan 8.300 nan 0.000 0.479 329 V N 0.219 120.350 119.914 0.362 0.000 2.270 329 V HA -0.299 3.821 4.120 0.000 0.000 0.245 329 V C 2.372 178.529 176.094 0.104 0.000 1.043 329 V CA 1.894 64.320 62.300 0.210 0.000 1.014 329 V CB -0.687 31.243 31.823 0.177 0.000 0.645 329 V HN 0.258 nan 8.190 nan 0.000 0.447 330 R N 0.294 120.848 120.500 0.090 0.000 2.112 330 R HA -0.216 4.124 4.340 0.000 0.000 0.242 330 R C 2.367 178.608 176.300 -0.100 0.000 1.137 330 R CA 2.197 58.311 56.100 0.024 0.000 0.944 330 R CB -1.020 29.317 30.300 0.062 0.000 0.857 330 R HN 0.541 nan 8.270 nan 0.000 0.435 331 G N 0.094 108.725 108.800 -0.283 0.000 2.505 331 G HA2 -0.287 3.673 3.960 0.000 0.000 0.220 331 G HA3 -0.287 3.673 3.960 0.000 0.000 0.220 331 G C 1.437 176.074 174.900 -0.439 0.000 1.145 331 G CA 1.212 45.736 45.100 -0.960 0.000 0.761 331 G HN 0.285 nan 8.290 nan 0.000 0.571 332 V N 0.334 120.193 119.914 -0.092 0.000 2.295 332 V HA -0.255 3.865 4.120 0.000 0.000 0.246 332 V C 2.905 178.996 176.094 -0.006 0.000 1.049 332 V CA 2.408 64.735 62.300 0.046 0.000 1.024 332 V CB -0.662 31.216 31.823 0.093 0.000 0.648 332 V HN 0.450 nan 8.190 nan 0.000 0.447 333 Q N -0.614 119.174 119.800 -0.020 0.000 2.079 333 Q HA -0.119 4.221 4.340 0.000 0.000 0.200 333 Q C 2.262 178.236 176.000 -0.044 0.000 0.974 333 Q CA 1.710 57.500 55.803 -0.020 0.000 0.840 333 Q CB -0.184 28.549 28.738 -0.009 0.000 0.898 333 Q HN 0.586 nan 8.270 nan 0.000 0.430 334 I N 0.696 121.220 120.570 -0.076 0.000 2.202 334 I HA -0.240 3.930 4.170 0.000 0.000 0.242 334 I C 2.533 178.586 176.117 -0.107 0.000 1.091 334 I CA 1.563 62.804 61.300 -0.099 0.000 1.368 334 I CB -0.736 37.192 38.000 -0.120 0.000 1.058 334 I HN 0.368 nan 8.210 nan 0.000 0.410 335 T N -1.448 113.066 114.554 -0.067 0.000 2.746 335 T HA -0.173 4.177 4.350 0.000 0.000 0.267 335 T C 1.540 176.272 174.700 0.054 0.000 1.039 335 T CA 1.764 63.871 62.100 0.012 0.000 1.142 335 T CB -0.991 67.965 68.868 0.146 0.000 0.866 335 T HN 0.393 nan 8.240 nan 0.000 0.444 336 N N 1.553 120.248 118.700 -0.008 0.000 2.061 336 N HA -0.155 4.585 4.740 0.000 0.000 0.193 336 N C 1.613 177.145 175.510 0.037 0.000 1.030 336 N CA 1.511 54.556 53.050 -0.009 0.000 0.856 336 N CB -0.267 38.206 38.487 -0.024 0.000 1.023 336 N HN 0.370 nan 8.380 nan 0.000 0.424 337 D N 0.909 121.305 120.400 -0.008 0.000 2.097 337 D HA -0.087 4.553 4.640 0.000 0.000 0.195 337 D C 1.974 178.235 176.300 -0.065 0.000 0.989 337 D CA 0.711 54.691 54.000 -0.033 0.000 0.827 337 D CB -0.323 40.443 40.800 -0.057 0.000 0.966 337 D HN 0.260 nan 8.370 nan 0.000 0.456 338 I N 0.022 120.513 120.570 -0.133 0.000 2.151 338 I HA -0.304 3.866 4.170 0.000 0.000 0.243 338 I C 1.921 177.910 176.117 -0.214 0.000 1.080 338 I CA 0.975 62.099 61.300 -0.294 0.000 1.339 338 I CB -0.263 37.359 38.000 -0.630 0.000 1.039 338 I HN -0.069 nan 8.210 nan 0.000 0.409 339 F N 0.763 120.591 119.950 -0.204 0.000 2.546 339 F HA -0.116 4.411 4.527 -0.000 0.000 0.298 339 F C 2.131 177.884 175.800 -0.079 0.000 1.120 339 F CA 0.915 58.846 58.000 -0.114 0.000 1.456 339 F CB -0.340 38.615 39.000 -0.074 0.000 1.088 339 F HN 0.067 nan 8.300 nan 0.000 0.572 340 S N -1.328 114.407 115.700 0.058 0.000 2.601 340 S HA 0.189 4.659 4.470 0.000 0.000 0.244 340 S C 0.406 174.988 174.600 -0.030 0.000 1.001 340 S CA -0.212 57.997 58.200 0.016 0.000 0.984 340 S CB -0.706 62.507 63.200 0.021 0.000 0.842 340 S HN 0.497 nan 8.310 nan 0.000 0.474 341 N N 1.116 119.773 118.700 -0.071 0.000 2.828 341 N HA -0.205 4.535 4.740 0.000 0.000 0.248 341 N C 0.764 176.230 175.510 -0.073 0.000 1.044 341 N CA 1.301 54.302 53.050 -0.082 0.000 0.851 341 N CB -1.020 37.434 38.487 -0.056 0.000 1.136 341 N HN 0.493 nan 8.380 nan 0.000 0.572 342 K N -0.229 120.128 120.400 -0.071 0.000 2.284 342 K HA 0.139 4.459 4.320 0.000 0.000 0.198 342 K C 0.507 177.061 176.600 -0.076 0.000 1.048 342 K CA 0.607 56.858 56.287 -0.060 0.000 0.987 342 K CB 0.272 32.746 32.500 -0.044 0.000 0.800 342 K HN 0.069 nan 8.250 nan 0.000 0.486 343 K N 1.055 121.387 120.400 -0.113 0.000 2.350 343 K HA 0.291 4.612 4.320 0.000 0.000 0.241 343 K C -0.274 176.210 176.600 -0.194 0.000 0.994 343 K CA -0.461 55.748 56.287 -0.131 0.000 0.839 343 K CB 2.075 34.494 32.500 -0.135 0.000 1.244 343 K HN 0.038 nan 8.250 nan 0.000 0.443 344 S N -1.208 114.396 115.700 -0.160 0.000 2.704 344 S HA 0.344 4.814 4.470 0.000 0.000 0.305 344 S C 0.618 175.114 174.600 -0.173 0.000 1.107 344 S CA -0.760 57.333 58.200 -0.180 0.000 0.993 344 S CB 0.637 63.816 63.200 -0.036 0.000 1.110 344 S HN 0.733 nan 8.310 nan 0.000 0.534 345 W N 0.545 121.833 121.300 -0.020 0.000 2.364 345 W HA -0.006 4.654 4.660 0.000 0.000 0.281 345 W C 2.667 179.184 176.519 -0.003 0.000 1.219 345 W CA 0.794 58.106 57.345 -0.056 0.000 1.220 345 W CB -0.420 29.086 29.460 0.077 0.000 1.127 345 W HN 0.911 nan 8.180 nan 0.000 0.556 346 A N 0.932 123.931 122.820 0.297 0.000 1.908 346 A HA -0.277 4.043 4.320 0.000 0.000 0.218 346 A C 1.624 179.307 177.584 0.165 0.000 1.181 346 A CA 2.155 54.351 52.037 0.264 0.000 0.627 346 A CB -1.155 17.950 19.000 0.176 0.000 0.818 346 A HN 0.461 nan 8.150 nan 0.000 0.445 347 N N -0.399 118.339 118.700 0.064 0.000 2.094 347 N HA -0.190 4.550 4.740 0.000 0.000 0.191 347 N C 1.602 177.119 175.510 0.011 0.000 1.023 347 N CA 1.461 54.523 53.050 0.020 0.000 0.857 347 N CB -0.316 38.151 38.487 -0.033 0.000 1.013 347 N HN 0.429 nan 8.380 nan 0.000 0.426 348 L N 0.148 121.330 121.223 -0.069 0.000 2.042 348 L HA -0.058 4.282 4.340 0.000 0.000 0.210 348 L C 0.968 177.849 176.870 0.018 0.000 1.076 348 L CA 1.650 56.412 54.840 -0.130 0.000 0.749 348 L CB -0.443 41.412 42.059 -0.340 0.000 0.893 348 L HN 0.172 nan 8.230 nan 0.000 0.432 349 F N -0.301 119.789 119.950 0.234 0.000 2.693 349 F HA 0.145 4.672 4.527 0.000 0.000 0.303 349 F C 1.038 176.902 175.800 0.108 0.000 1.143 349 F CA -0.465 57.651 58.000 0.194 0.000 1.389 349 F CB -0.360 38.728 39.000 0.147 0.000 1.060 349 F HN 0.093 nan 8.300 nan 0.000 0.535 350 E N 2.174 122.504 120.200 0.218 0.000 2.376 350 E HA -0.027 4.323 4.350 0.000 0.000 0.266 350 E C 0.337 177.000 176.600 0.104 0.000 1.009 350 E CA -0.208 56.274 56.400 0.136 0.000 0.902 350 E CB 0.592 30.344 29.700 0.088 0.000 0.972 350 E HN 0.103 nan 8.360 nan 0.000 0.439 351 K N 3.198 123.652 120.400 0.090 0.000 2.527 351 K HA -0.099 4.221 4.320 0.000 0.000 0.278 351 K C 0.010 176.664 176.600 0.089 0.000 0.981 351 K CA 0.012 56.347 56.287 0.081 0.000 1.009 351 K CB 0.246 32.805 32.500 0.098 0.000 0.895 351 K HN 0.514 nan 8.250 nan 0.000 0.493 352 N N 1.633 120.387 118.700 0.089 0.000 2.340 352 N HA -0.101 4.639 4.740 0.000 0.000 0.236 352 N C -0.560 175.062 175.510 0.185 0.000 1.296 352 N CA -0.029 53.092 53.050 0.117 0.000 0.896 352 N CB 0.558 39.126 38.487 0.135 0.000 1.127 352 N HN 0.525 nan 8.380 nan 0.000 0.442 353 D N 0.172 120.681 120.400 0.181 0.000 3.008 353 D HA 0.025 4.665 4.640 0.000 0.000 0.312 353 D C 0.170 176.578 176.300 0.181 0.000 1.361 353 D CA -0.690 53.478 54.000 0.281 0.000 0.858 353 D CB -0.800 40.145 40.800 0.242 0.000 1.098 353 D HN 0.521 nan 8.370 nan 0.000 0.482 354 F N 0.836 120.724 119.950 -0.104 0.000 2.091 354 F HA -0.113 4.414 4.527 0.000 0.000 0.299 354 F C 1.136 176.651 175.800 -0.475 0.000 1.103 354 F CA 1.496 59.262 58.000 -0.390 0.000 1.228 354 F CB -0.223 38.342 39.000 -0.725 0.000 0.984 354 F HN 0.018 nan 8.300 nan 0.000 0.477 355 F N -1.306 118.444 119.950 -0.334 0.000 2.816 355 F HA 0.002 4.529 4.527 0.000 0.000 0.302 355 F C 1.200 176.615 175.800 -0.641 0.000 1.178 355 F CA 0.339 57.906 58.000 -0.722 0.000 1.421 355 F CB -0.549 37.806 39.000 -1.075 0.000 1.114 355 F HN -0.037 nan 8.300 nan 0.000 0.573 356 F N -0.555 119.403 119.950 0.013 0.000 2.680 356 F HA 0.119 4.646 4.527 0.000 0.000 0.290 356 F C 1.895 177.639 175.800 -0.094 0.000 1.114 356 F CA -0.169 57.838 58.000 0.011 0.000 1.333 356 F CB -0.080 38.927 39.000 0.011 0.000 1.091 356 F HN -0.207 nan 8.300 nan 0.000 0.606 357 R N -0.969 119.456 120.500 -0.124 0.000 2.310 357 R HA 0.129 4.469 4.340 0.000 0.000 0.202 357 R C -0.752 175.238 176.300 -0.518 0.000 0.933 357 R CA 0.451 56.340 56.100 -0.351 0.000 1.054 357 R CB -0.946 29.048 30.300 -0.509 0.000 0.985 357 R HN 0.205 nan 8.270 nan 0.000 0.489 358 Y N 0.695 120.869 120.300 -0.211 0.000 2.429 358 Y HA 0.366 4.916 4.550 0.000 0.000 0.342 358 Y C 0.867 176.543 175.900 -0.374 0.000 1.004 358 Y CA -1.418 56.431 58.100 -0.418 0.000 1.075 358 Y CB 1.852 39.751 38.460 -0.934 0.000 1.214 358 Y HN -0.271 nan 8.280 nan 0.000 0.455 359 K N 1.959 122.237 120.400 -0.203 0.000 2.103 359 K HA 0.029 4.349 4.320 0.000 0.000 0.204 359 K C -0.535 175.492 176.600 -0.955 0.000 1.052 359 K CA 1.140 57.064 56.287 -0.606 0.000 0.945 359 K CB 0.093 32.120 32.500 -0.788 0.000 0.722 359 K HN 0.412 nan 8.250 nan 0.000 0.443 360 F N -0.400 119.417 119.950 -0.223 0.000 2.556 360 F HA 0.348 4.875 4.527 0.000 0.000 0.314 360 F C -0.570 174.938 175.800 -0.487 0.000 1.106 360 F CA -1.323 56.499 58.000 -0.297 0.000 0.911 360 F CB 1.492 40.441 39.000 -0.085 0.000 1.190 360 F HN -0.212 nan 8.300 nan 0.000 0.448 361 Y N 2.345 122.624 120.300 -0.034 0.000 2.462 361 Y HA 0.601 5.151 4.550 0.000 0.000 0.346 361 Y C -0.908 175.056 175.900 0.108 0.000 0.976 361 Y CA -1.199 56.934 58.100 0.056 0.000 1.044 361 Y CB 1.935 40.464 38.460 0.114 0.000 1.230 361 Y HN 0.419 nan 8.280 nan 0.000 0.455 362 L N 3.123 124.529 121.223 0.305 0.000 2.257 362 L HA 0.426 4.766 4.340 0.000 0.000 0.290 362 L C -0.342 176.608 176.870 0.134 0.000 1.044 362 L CA -0.364 54.616 54.840 0.232 0.000 0.810 362 L CB 0.844 42.995 42.059 0.153 0.000 1.193 362 L HN 0.672 nan 8.230 nan 0.000 0.425 363 E N 5.101 125.330 120.200 0.048 0.000 2.134 363 E HA 0.415 4.765 4.350 0.000 0.000 0.278 363 E C -1.242 175.278 176.600 -0.133 0.000 0.959 363 E CA -0.513 55.773 56.400 -0.190 0.000 0.783 363 E CB 0.916 30.557 29.700 -0.098 0.000 1.095 363 E HN 0.607 nan 8.360 nan 0.000 0.399 364 I N 3.596 124.046 120.570 -0.201 0.000 2.382 364 I HA 0.211 4.381 4.170 0.000 0.000 0.286 364 I C -0.497 175.561 176.117 -0.098 0.000 1.002 364 I CA -0.268 60.972 61.300 -0.100 0.000 1.135 364 I CB 2.046 39.980 38.000 -0.111 0.000 1.288 364 I HN 0.307 nan 8.210 nan 0.000 0.448 365 T N 5.394 119.910 114.554 -0.062 0.000 2.786 365 T HA 0.660 5.010 4.350 0.000 0.000 0.283 365 T C -0.179 174.382 174.700 -0.231 0.000 0.992 365 T CA -0.601 61.385 62.100 -0.191 0.000 0.954 365 T CB 1.489 70.200 68.868 -0.261 0.000 0.934 365 T HN 0.582 nan 8.240 nan 0.000 0.440 366 A N 3.835 126.516 122.820 -0.232 0.000 2.249 366 A HA 0.700 5.020 4.320 0.000 0.000 0.314 366 A C -1.019 176.653 177.584 0.148 0.000 1.290 366 A CA -0.555 51.401 52.037 -0.135 0.000 0.893 366 A CB 0.062 18.750 19.000 -0.520 0.000 1.165 366 A HN 0.833 nan 8.150 nan 0.000 0.530 367 Y N 0.917 121.571 120.300 0.590 0.000 2.387 367 Y HA 0.590 5.140 4.550 0.000 0.000 0.330 367 Y C 0.712 177.106 175.900 0.823 0.000 1.133 367 Y CA -0.081 58.393 58.100 0.624 0.000 1.152 367 Y CB 2.395 41.159 38.460 0.507 0.000 1.215 367 Y HN 0.548 nan 8.280 nan 0.000 0.466 368 T N 3.867 118.924 114.554 0.837 0.000 3.011 368 T HA 0.256 4.606 4.350 0.000 0.000 0.303 368 T C -0.648 174.168 174.700 0.192 0.000 0.997 368 T CA -0.920 61.520 62.100 0.568 0.000 1.007 368 T CB 0.921 70.252 68.868 0.772 0.000 1.017 368 T HN 0.383 nan 8.240 nan 0.000 0.443 369 R N 2.724 123.072 120.500 -0.253 0.000 2.755 369 R HA 0.602 4.942 4.340 0.000 0.000 0.268 369 R C 0.166 176.298 176.300 -0.279 0.000 1.295 369 R CA 0.010 55.816 56.100 -0.490 0.000 1.379 369 R CB -0.104 29.460 30.300 -1.226 0.000 1.170 369 R HN 1.005 nan 8.270 nan 0.000 0.584 370 G N -0.004 108.761 108.800 -0.058 0.000 2.512 370 G HA2 0.011 3.971 3.960 0.000 0.000 0.186 370 G HA3 0.011 3.971 3.960 0.000 0.000 0.186 370 G C -1.146 173.823 174.900 0.115 0.000 1.189 370 G CA -0.137 44.944 45.100 -0.032 0.000 0.994 370 G HN 0.350 nan 8.290 nan 0.000 0.506 371 S N -0.349 115.396 115.700 0.075 0.000 2.610 371 S HA 0.390 4.860 4.470 0.000 0.000 0.273 371 S C 0.962 175.535 174.600 -0.044 0.000 1.274 371 S CA 0.949 59.198 58.200 0.080 0.000 1.023 371 S CB 1.772 65.001 63.200 0.048 0.000 0.962 371 S HN 0.665 nan 8.310 nan 0.000 0.523 372 D N 0.944 121.270 120.400 -0.124 0.000 2.158 372 D HA -0.216 4.424 4.640 0.000 0.000 0.197 372 D C 1.617 177.810 176.300 -0.178 0.000 0.995 372 D CA 1.810 55.576 54.000 -0.390 0.000 0.846 372 D CB -0.124 40.613 40.800 -0.105 0.000 0.941 372 D HN 0.692 nan 8.370 nan 0.000 0.456 373 E N 0.082 120.255 120.200 -0.044 0.000 2.150 373 E HA -0.141 4.209 4.350 0.000 0.000 0.193 373 E C 2.011 178.648 176.600 0.062 0.000 0.985 373 E CA 1.140 57.547 56.400 0.011 0.000 0.814 373 E CB -0.205 29.512 29.700 0.027 0.000 0.752 373 E HN 0.518 nan 8.360 nan 0.000 0.466 374 Q N -1.300 118.564 119.800 0.105 0.000 2.245 374 Q HA -0.073 4.267 4.340 0.000 0.000 0.201 374 Q C 2.052 178.265 176.000 0.355 0.000 0.955 374 Q CA 0.929 56.892 55.803 0.267 0.000 0.870 374 Q CB -0.137 28.791 28.738 0.317 0.000 0.945 374 Q HN 0.461 nan 8.270 nan 0.000 0.461 375 H N 0.205 119.326 119.070 0.086 0.000 2.363 375 H HA -0.062 4.494 4.556 0.000 0.000 0.301 375 H C 1.855 177.218 175.328 0.057 0.000 1.074 375 H CA 0.790 56.896 56.048 0.097 0.000 1.354 375 H CB 0.417 30.072 29.762 -0.179 0.000 1.397 375 H HN 0.162 nan 8.280 nan 0.000 0.516 376 L N 1.423 122.644 121.223 -0.003 0.000 2.042 376 L HA -0.180 4.160 4.340 0.000 0.000 0.210 376 L C 2.422 179.258 176.870 -0.056 0.000 1.076 376 L CA 1.704 56.519 54.840 -0.042 0.000 0.749 376 L CB -0.453 41.602 42.059 -0.007 0.000 0.893 376 L HN 0.125 nan 8.230 nan 0.000 0.432 377 K N -2.133 118.279 120.400 0.019 0.000 2.116 377 K HA -0.177 4.143 4.320 0.000 0.000 0.203 377 K C 2.018 178.607 176.600 -0.018 0.000 1.052 377 K CA 1.161 57.470 56.287 0.038 0.000 0.952 377 K CB -0.335 32.240 32.500 0.126 0.000 0.729 377 K HN 0.430 nan 8.250 nan 0.000 0.446 378 W N 1.287 122.423 121.300 -0.273 0.000 2.407 378 W HA -0.183 4.477 4.660 0.000 0.000 0.305 378 W C 1.857 178.083 176.519 -0.489 0.000 1.196 378 W CA 1.547 58.546 57.345 -0.577 0.000 1.311 378 W CB -0.073 29.092 29.460 -0.492 0.000 1.135 378 W HN 0.150 nan 8.180 nan 0.000 0.514 379 S N 0.330 115.686 115.700 -0.572 0.000 2.447 379 S HA -0.054 4.416 4.470 0.000 0.000 0.233 379 S C 1.919 176.263 174.600 -0.426 0.000 1.006 379 S CA 1.278 59.102 58.200 -0.626 0.000 0.957 379 S CB -1.018 61.807 63.200 -0.625 0.000 0.773 379 S HN 0.267 nan 8.310 nan 0.000 0.507 380 G N 1.945 110.546 108.800 -0.331 0.000 2.394 380 G HA2 -0.041 3.919 3.960 0.000 0.000 0.214 380 G HA3 -0.041 3.919 3.960 0.000 0.000 0.214 380 G C 1.314 176.029 174.900 -0.307 0.000 1.176 380 G CA 0.829 45.780 45.100 -0.249 0.000 0.786 380 G HN 0.470 nan 8.290 nan 0.000 0.533 381 L N 0.965 121.953 121.223 -0.392 0.000 1.970 381 L HA -0.061 4.279 4.340 0.000 0.000 0.212 381 L C 2.936 179.501 176.870 -0.508 0.000 1.071 381 L CA 1.693 56.246 54.840 -0.479 0.000 0.751 381 L CB -0.761 40.916 42.059 -0.638 0.000 0.889 381 L HN 0.081 nan 8.230 nan 0.000 0.432 382 V N 0.103 119.616 119.914 -0.669 0.000 2.252 382 V HA -0.373 3.747 4.120 0.000 0.000 0.249 382 V C 2.667 178.625 176.094 -0.228 0.000 1.056 382 V CA 2.281 64.254 62.300 -0.545 0.000 1.022 382 V CB -0.839 30.532 31.823 -0.753 0.000 0.641 382 V HN 0.642 nan 8.190 nan 0.000 0.445 383 E N 0.437 120.490 120.200 -0.245 0.000 2.118 383 E HA -0.240 4.110 4.350 0.000 0.000 0.195 383 E C 2.224 178.695 176.600 -0.216 0.000 0.992 383 E CA 1.713 58.023 56.400 -0.150 0.000 0.804 383 E CB -0.106 29.500 29.700 -0.157 0.000 0.741 383 E HN 0.760 nan 8.360 nan 0.000 0.458 384 S N -0.567 114.989 115.700 -0.239 0.000 2.562 384 S HA 0.036 4.506 4.470 0.000 0.000 0.221 384 S C 1.515 176.027 174.600 -0.147 0.000 0.975 384 S CA 0.254 58.315 58.200 -0.232 0.000 0.918 384 S CB 0.153 63.218 63.200 -0.226 0.000 0.772 384 S HN 0.125 nan 8.310 nan 0.000 0.531 385 K N 0.480 120.833 120.400 -0.078 0.000 2.353 385 K HA 0.301 4.621 4.320 0.000 0.000 0.195 385 K C 1.378 178.129 176.600 0.251 0.000 1.031 385 K CA 0.166 56.487 56.287 0.057 0.000 1.079 385 K CB 0.211 32.685 32.500 -0.044 0.000 0.857 385 K HN 0.186 nan 8.250 nan 0.000 0.535 386 V N 1.474 121.489 119.914 0.168 0.000 2.469 386 V HA -0.255 3.865 4.120 0.000 0.000 0.251 386 V C 2.304 178.443 176.094 0.075 0.000 1.064 386 V CA 1.698 64.068 62.300 0.116 0.000 1.066 386 V CB -0.423 31.507 31.823 0.178 0.000 0.667 386 V HN 0.303 nan 8.190 nan 0.000 0.461 387 R N -0.555 119.974 120.500 0.049 0.000 2.092 387 R HA -0.125 4.215 4.340 0.000 0.000 0.231 387 R C 2.066 178.377 176.300 0.017 0.000 1.119 387 R CA 1.323 57.435 56.100 0.020 0.000 0.970 387 R CB -0.119 30.157 30.300 -0.039 0.000 0.864 387 R HN 0.402 nan 8.270 nan 0.000 0.440 388 L N 0.188 121.440 121.223 0.048 0.000 2.156 388 L HA -0.102 4.238 4.340 0.000 0.000 0.208 388 L C 2.110 179.022 176.870 0.069 0.000 1.095 388 L CA 0.850 55.726 54.840 0.060 0.000 0.770 388 L CB -0.632 41.475 42.059 0.080 0.000 0.914 388 L HN 0.181 nan 8.230 nan 0.000 0.439 389 L N -0.894 120.376 121.223 0.078 0.000 2.046 389 L HA -0.130 4.211 4.340 0.000 0.000 0.208 389 L C 2.423 179.266 176.870 -0.044 0.000 1.077 389 L CA 1.447 56.279 54.840 -0.014 0.000 0.747 389 L CB -0.418 41.493 42.059 -0.246 0.000 0.896 389 L HN 0.019 nan 8.230 nan 0.000 0.432 390 V N -0.305 119.590 119.914 -0.031 0.000 2.282 390 V HA -0.389 3.731 4.120 0.000 0.000 0.249 390 V C 2.573 178.646 176.094 -0.035 0.000 1.057 390 V CA 2.472 64.754 62.300 -0.032 0.000 1.032 390 V CB -0.577 31.237 31.823 -0.015 0.000 0.645 390 V HN 0.466 nan 8.190 nan 0.000 0.447 391 M N -1.171 118.416 119.600 -0.021 0.000 2.175 391 M HA -0.137 4.343 4.480 0.000 0.000 0.264 391 M C 2.351 178.644 176.300 -0.012 0.000 1.063 391 M CA 1.545 56.834 55.300 -0.018 0.000 1.119 391 M CB -0.449 32.147 32.600 -0.007 0.000 1.377 391 M HN 0.181 nan 8.290 nan 0.000 0.415 392 K N 0.497 120.896 120.400 -0.001 0.000 2.025 392 K HA -0.077 4.243 4.320 0.000 0.000 0.207 392 K C 1.983 178.572 176.600 -0.017 0.000 1.049 392 K CA 1.220 57.509 56.287 0.003 0.000 0.933 392 K CB -0.735 31.780 32.500 0.026 0.000 0.714 392 K HN 0.200 nan 8.250 nan 0.000 0.438 393 L N 2.057 123.258 121.223 -0.037 0.000 1.989 393 L HA -0.217 4.123 4.340 0.000 0.000 0.211 393 L C 2.428 179.255 176.870 -0.072 0.000 1.071 393 L CA 1.947 56.749 54.840 -0.064 0.000 0.749 393 L CB -1.218 40.787 42.059 -0.090 0.000 0.890 393 L HN 0.416 nan 8.230 nan 0.000 0.431 394 E N -1.376 118.784 120.200 -0.067 0.000 2.267 394 E HA -0.188 4.162 4.350 0.000 0.000 0.197 394 E C 1.986 178.555 176.600 -0.051 0.000 0.998 394 E CA 1.356 57.714 56.400 -0.070 0.000 0.830 394 E CB -0.478 29.185 29.700 -0.062 0.000 0.751 394 E HN 0.311 nan 8.360 nan 0.000 0.491 395 V N 1.171 121.063 119.914 -0.035 0.000 3.650 395 V HA 0.137 4.257 4.120 0.000 0.000 0.271 395 V C 0.771 176.855 176.094 -0.017 0.000 1.281 395 V CA -0.053 62.235 62.300 -0.020 0.000 1.120 395 V CB -0.134 31.682 31.823 -0.011 0.000 0.856 395 V HN 0.190 nan 8.190 nan 0.000 0.443 396 L N 0.695 121.904 121.223 -0.024 0.000 2.455 396 L HA 0.230 4.570 4.340 0.000 0.000 0.272 396 L C 1.969 178.832 176.870 -0.012 0.000 1.174 396 L CA 0.452 55.282 54.840 -0.016 0.000 0.869 396 L CB 0.461 42.509 42.059 -0.020 0.000 1.130 396 L HN 0.319 nan 8.230 nan 0.000 0.474 397 A N 4.054 126.874 122.820 0.001 0.000 1.899 397 A HA -0.293 4.027 4.320 0.000 0.000 0.230 397 A C 1.954 179.547 177.584 0.014 0.000 1.593 397 A CA 2.590 54.633 52.037 0.010 0.000 0.728 397 A CB -1.381 17.629 19.000 0.016 0.000 0.848 397 A HN 0.989 nan 8.150 nan 0.000 0.490 398 G N -1.943 106.874 108.800 0.028 0.000 2.985 398 G HA2 0.376 4.336 3.960 0.000 0.000 0.209 398 G HA3 0.376 4.336 3.960 0.000 0.000 0.209 398 G C 0.322 175.240 174.900 0.031 0.000 1.165 398 G CA 0.181 45.319 45.100 0.065 0.000 0.776 398 G HN 0.398 nan 8.290 nan 0.000 0.541 399 I N 0.384 120.909 120.570 -0.076 0.000 2.342 399 I HA 0.246 4.416 4.170 0.000 0.000 0.291 399 I C 1.292 177.324 176.117 -0.141 0.000 1.010 399 I CA -0.264 60.901 61.300 -0.225 0.000 1.308 399 I CB 2.064 39.901 38.000 -0.271 0.000 1.400 399 I HN -0.114 nan 8.210 nan 0.000 0.488 400 K N 5.845 126.155 120.400 -0.149 0.000 2.262 400 K HA 0.333 4.653 4.320 0.000 0.000 0.200 400 K C 0.144 176.696 176.600 -0.080 0.000 1.049 400 K CA 0.749 56.994 56.287 -0.070 0.000 0.979 400 K CB 0.613 33.102 32.500 -0.018 0.000 0.773 400 K HN 0.602 nan 8.250 nan 0.000 0.474 401 I N -0.442 120.039 120.570 -0.149 0.000 2.785 401 I HA 0.193 4.363 4.170 0.000 0.000 0.293 401 I C -2.098 173.893 176.117 -0.211 0.000 1.446 401 I CA -0.636 60.585 61.300 -0.132 0.000 1.028 401 I CB 2.216 40.181 38.000 -0.059 0.000 1.349 401 I HN -0.064 nan 8.210 nan 0.000 0.438 402 A N 5.554 128.291 122.820 -0.137 0.000 2.536 402 A HA 0.385 4.705 4.320 0.000 0.000 0.329 402 A C -1.093 176.503 177.584 0.020 0.000 1.321 402 A CA -0.249 51.721 52.037 -0.112 0.000 0.804 402 A CB -0.111 18.831 19.000 -0.097 0.000 1.126 402 A HN 0.811 nan 8.150 nan 0.000 0.480 403 H N 4.709 123.735 119.070 -0.074 0.000 2.690 403 H HA 0.378 4.934 4.556 0.000 0.000 0.289 403 H C -2.503 172.989 175.328 0.274 0.000 1.089 403 H CA -2.189 53.944 56.048 0.142 0.000 1.299 403 H CB 1.025 30.941 29.762 0.257 0.000 1.405 403 H HN 0.382 nan 8.280 nan 0.000 0.463 404 P HA 0.021 nan 4.420 nan 0.000 0.286 404 P C -0.667 176.669 177.300 0.061 0.000 1.269 404 P CA -0.229 63.017 63.100 0.242 0.000 0.787 404 P CB 0.818 32.636 31.700 0.197 0.000 0.920 405 F N 2.960 122.604 119.950 -0.510 0.000 2.406 405 F HA 0.179 4.706 4.527 0.000 0.000 0.327 405 F C 1.649 176.986 175.800 -0.771 0.000 1.153 405 F CA 0.373 57.826 58.000 -0.911 0.000 1.218 405 F CB 0.847 39.135 39.000 -1.185 0.000 1.215 405 F HN 0.327 nan 8.300 nan 0.000 0.570 406 T N -0.516 113.199 114.554 -1.398 0.000 3.060 406 T HA 0.135 4.485 4.350 0.000 0.000 0.249 406 T C 0.344 174.635 174.700 -0.681 0.000 1.079 406 T CA -0.138 61.359 62.100 -1.005 0.000 1.013 406 T CB -0.117 68.360 68.868 -0.653 0.000 0.975 406 T HN 0.343 nan 8.240 nan 0.000 0.518 407 K N 2.678 122.697 120.400 -0.635 0.000 2.535 407 K HA 0.377 4.697 4.320 0.000 0.000 0.253 407 K C -3.154 173.393 176.600 -0.088 0.000 0.953 407 K CA -2.379 53.742 56.287 -0.277 0.000 0.863 407 K CB 1.897 34.205 32.500 -0.321 0.000 1.111 407 K HN 0.000 nan 8.250 nan 0.000 0.431 408 P HA 0.078 nan 4.420 nan 0.000 0.267 408 P C -0.790 176.517 177.300 0.012 0.000 1.200 408 P CA 0.013 63.183 63.100 0.118 0.000 0.772 408 P CB 0.245 32.020 31.700 0.126 0.000 0.855 409 F N 1.588 121.642 119.950 0.174 0.000 2.347 409 F HA 0.210 4.737 4.527 0.000 0.000 0.366 409 F C 1.157 177.036 175.800 0.132 0.000 1.107 409 F CA -0.332 57.762 58.000 0.156 0.000 1.058 409 F CB 1.055 40.177 39.000 0.203 0.000 1.236 409 F HN 0.264 nan 8.300 nan 0.000 0.456 410 E N 1.781 122.112 120.200 0.218 0.000 2.221 410 E HA 0.808 5.158 4.350 0.000 0.000 0.268 410 E C -1.089 175.586 176.600 0.126 0.000 0.933 410 E CA -0.951 55.556 56.400 0.177 0.000 0.809 410 E CB 2.256 32.060 29.700 0.173 0.000 1.190 410 E HN 0.434 nan 8.360 nan 0.000 0.406 411 S N 0.323 116.063 115.700 0.066 0.000 2.567 411 S HA 0.599 5.069 4.470 0.000 0.000 0.270 411 S C -1.046 173.456 174.600 -0.162 0.000 1.152 411 S CA -0.967 57.201 58.200 -0.053 0.000 0.835 411 S CB 1.298 64.484 63.200 -0.024 0.000 1.115 411 S HN 0.766 nan 8.310 nan 0.000 0.459 412 S N 0.406 115.889 115.700 -0.363 0.000 2.540 412 S HA 0.787 5.257 4.470 0.000 0.000 0.275 412 S C -1.754 172.511 174.600 -0.558 0.000 1.123 412 S CA -0.756 57.171 58.200 -0.455 0.000 0.907 412 S CB 0.708 63.539 63.200 -0.614 0.000 1.081 412 S HN 0.737 nan 8.310 nan 0.000 0.476 413 Y N -0.237 119.945 120.300 -0.198 0.000 2.485 413 Y HA 0.476 5.026 4.550 0.000 0.000 0.345 413 Y C 0.137 175.967 175.900 -0.116 0.000 0.998 413 Y CA -1.031 57.006 58.100 -0.105 0.000 1.059 413 Y CB 1.538 39.980 38.460 -0.029 0.000 1.234 413 Y HN 0.836 nan 8.280 nan 0.000 0.461 414 C N 2.891 122.250 119.300 0.098 0.000 2.624 414 C HA 0.402 4.862 4.460 0.000 0.000 0.397 414 C C 0.175 175.202 174.990 0.063 0.000 1.331 414 C CA -1.003 58.040 59.018 0.042 0.000 1.716 414 C CB -2.072 25.688 27.740 0.034 0.000 2.452 414 C HN 0.841 nan 8.230 nan 0.000 0.586 415 C N 4.498 123.818 119.300 0.032 0.000 2.571 415 C HA 0.472 4.932 4.460 0.000 0.000 0.343 415 C C -1.776 173.220 174.990 0.011 0.000 1.082 415 C CA -1.307 57.730 59.018 0.033 0.000 1.339 415 C CB 0.753 28.531 27.740 0.062 0.000 1.893 415 C HN 0.612 nan 8.230 nan 0.000 0.445 416 P HA 0.073 nan 4.420 nan 0.000 0.221 416 P C 0.562 177.866 177.300 0.006 0.000 1.155 416 P CA 1.259 64.361 63.100 0.003 0.000 0.812 416 P CB 0.145 31.848 31.700 0.005 0.000 0.801 417 T N -0.121 114.443 114.554 0.018 0.000 2.907 417 T HA 0.137 4.487 4.350 0.000 0.000 0.284 417 T C 1.026 175.755 174.700 0.049 0.000 1.004 417 T CA -0.658 61.457 62.100 0.025 0.000 1.063 417 T CB 1.804 70.684 68.868 0.021 0.000 0.992 417 T HN 0.036 nan 8.240 nan 0.000 0.483 418 E N 1.542 121.773 120.200 0.050 0.000 2.204 418 E HA -0.177 4.173 4.350 0.000 0.000 0.194 418 E C 0.653 177.308 176.600 0.091 0.000 0.989 418 E CA 1.151 57.607 56.400 0.093 0.000 0.824 418 E CB -0.044 29.696 29.700 0.066 0.000 0.756 418 E HN 0.604 nan 8.360 nan 0.000 0.477 419 D N 1.245 121.673 120.400 0.046 0.000 2.117 419 D HA -0.154 4.486 4.640 0.000 0.000 0.198 419 D C 1.480 177.789 176.300 0.015 0.000 0.982 419 D CA 0.977 54.989 54.000 0.019 0.000 0.828 419 D CB -0.252 40.553 40.800 0.009 0.000 0.967 419 D HN 0.231 nan 8.370 nan 0.000 0.464 420 D N -0.112 120.308 120.400 0.033 0.000 2.117 420 D HA -0.165 4.475 4.640 0.000 0.000 0.197 420 D C 1.905 178.236 176.300 0.051 0.000 0.987 420 D CA 0.634 54.651 54.000 0.029 0.000 0.829 420 D CB -0.343 40.478 40.800 0.036 0.000 0.961 420 D HN 0.250 nan 8.370 nan 0.000 0.460 421 Y N 1.776 122.045 120.300 -0.051 0.000 2.242 421 Y HA -0.083 4.467 4.550 0.000 0.000 0.291 421 Y C 2.022 177.860 175.900 -0.103 0.000 1.137 421 Y CA 1.340 59.401 58.100 -0.066 0.000 1.181 421 Y CB -0.203 38.232 38.460 -0.041 0.000 0.989 421 Y HN -0.033 nan 8.280 nan 0.000 0.527 422 E N -0.403 119.670 120.200 -0.212 0.000 2.110 422 E HA -0.252 4.098 4.350 0.000 0.000 0.193 422 E C 2.292 178.752 176.600 -0.233 0.000 0.988 422 E CA 1.292 57.520 56.400 -0.286 0.000 0.804 422 E CB -0.224 29.393 29.700 -0.138 0.000 0.745 422 E HN 0.480 nan 8.360 nan 0.000 0.458 423 M N 0.714 120.228 119.600 -0.142 0.000 2.086 423 M HA -0.172 4.308 4.480 0.000 0.000 0.261 423 M C 2.076 178.302 176.300 -0.123 0.000 1.067 423 M CA 1.529 56.766 55.300 -0.105 0.000 1.116 423 M CB -0.184 32.376 32.600 -0.067 0.000 1.348 423 M HN 0.107 nan 8.290 nan 0.000 0.407 424 I N 0.321 120.798 120.570 -0.154 0.000 2.286 424 I HA -0.339 3.831 4.170 0.000 0.000 0.248 424 I C 2.358 178.383 176.117 -0.154 0.000 1.115 424 I CA 1.179 62.402 61.300 -0.130 0.000 1.392 424 I CB -0.639 37.302 38.000 -0.100 0.000 1.065 424 I HN 0.424 nan 8.210 nan 0.000 0.418 425 Q N 0.273 119.816 119.800 -0.428 0.000 2.170 425 Q HA -0.244 4.096 4.340 0.000 0.000 0.203 425 Q C 1.770 177.709 176.000 -0.102 0.000 0.976 425 Q CA 1.603 57.102 55.803 -0.506 0.000 0.858 425 Q CB -0.233 28.119 28.738 -0.642 0.000 0.907 425 Q HN 0.573 nan 8.270 nan 0.000 0.433 426 D N 0.550 120.903 120.400 -0.078 0.000 2.144 426 D HA -0.081 4.559 4.640 0.000 0.000 0.207 426 D C 1.380 177.706 176.300 0.043 0.000 0.970 426 D CA 0.817 54.812 54.000 -0.009 0.000 0.853 426 D CB 0.395 41.175 40.800 -0.035 0.000 1.007 426 D HN -0.012 nan 8.370 nan 0.000 0.469 427 K N -0.122 120.302 120.400 0.040 0.000 2.404 427 K HA -0.026 4.294 4.320 0.000 0.000 0.194 427 K C 0.314 176.973 176.600 0.098 0.000 1.023 427 K CA -0.303 56.011 56.287 0.046 0.000 1.094 427 K CB 0.088 32.593 32.500 0.009 0.000 0.841 427 K HN 0.273 nan 8.250 nan 0.000 0.523 428 Y N 0.437 120.767 120.300 0.050 0.000 2.301 428 Y HA 0.356 4.906 4.550 0.000 0.000 0.325 428 Y C 1.318 177.286 175.900 0.113 0.000 1.203 428 Y CA 0.960 59.121 58.100 0.102 0.000 1.255 428 Y CB 1.148 39.725 38.460 0.195 0.000 1.232 428 Y HN 0.356 nan 8.280 nan 0.000 0.501 429 G N 2.269 110.480 108.800 -0.982 0.000 2.234 429 G HA2 -0.251 3.709 3.960 0.000 0.000 0.235 429 G HA3 -0.251 3.709 3.960 0.000 0.000 0.235 429 G C -0.053 174.683 174.900 -0.274 0.000 0.997 429 G CA 0.183 44.859 45.100 -0.707 0.000 0.623 429 G HN 1.032 nan 8.290 nan 0.000 0.514 430 S N -0.755 114.849 115.700 -0.160 0.000 2.519 430 S HA 0.560 5.030 4.470 0.000 0.000 0.309 430 S C 0.970 175.573 174.600 0.004 0.000 1.100 430 S CA 0.478 58.651 58.200 -0.045 0.000 1.059 430 S CB 1.342 64.543 63.200 0.000 0.000 1.008 430 S HN 0.521 nan 8.310 nan 0.000 0.478 431 H N 4.651 123.682 119.070 -0.064 0.000 2.431 431 H HA -0.092 4.464 4.556 0.000 0.000 0.297 431 H C 1.533 176.853 175.328 -0.014 0.000 1.115 431 H CA 2.531 58.558 56.048 -0.035 0.000 1.277 431 H CB 0.159 29.915 29.762 -0.010 0.000 1.372 431 H HN 0.686 nan 8.280 nan 0.000 0.516 432 K N -1.151 119.231 120.400 -0.030 0.000 1.985 432 K HA -0.093 4.228 4.320 0.000 0.000 0.210 432 K C 2.017 178.571 176.600 -0.076 0.000 1.047 432 K CA 2.043 58.288 56.287 -0.070 0.000 0.932 432 K CB -0.124 32.375 32.500 -0.000 0.000 0.716 432 K HN 0.486 nan 8.250 nan 0.000 0.439 433 T N -1.341 113.190 114.554 -0.038 0.000 3.107 433 T HA 0.068 4.418 4.350 0.000 0.000 0.249 433 T C 1.471 176.155 174.700 -0.027 0.000 1.096 433 T CA 0.110 62.194 62.100 -0.026 0.000 1.012 433 T CB 0.318 69.184 68.868 -0.003 0.000 0.977 433 T HN 0.200 nan 8.240 nan 0.000 0.527 434 E N 1.313 121.488 120.200 -0.041 0.000 2.274 434 E HA -0.115 4.235 4.350 0.000 0.000 0.194 434 E C 1.653 178.249 176.600 -0.006 0.000 0.996 434 E CA 0.860 57.250 56.400 -0.015 0.000 0.840 434 E CB -0.259 29.440 29.700 -0.001 0.000 0.772 434 E HN 0.426 nan 8.360 nan 0.000 0.491 435 T N 0.444 114.976 114.554 -0.038 0.000 2.737 435 T HA -0.186 4.164 4.350 0.000 0.000 0.269 435 T C 1.713 176.407 174.700 -0.011 0.000 1.040 435 T CA 1.286 63.370 62.100 -0.027 0.000 1.142 435 T CB -0.213 68.626 68.868 -0.049 0.000 0.861 435 T HN 0.321 nan 8.240 nan 0.000 0.456 436 A N 0.812 123.622 122.820 -0.017 0.000 2.067 436 A HA 0.090 4.410 4.320 0.000 0.000 0.219 436 A C 2.148 179.713 177.584 -0.032 0.000 1.158 436 A CA 0.847 52.871 52.037 -0.021 0.000 0.661 436 A CB -0.660 18.326 19.000 -0.024 0.000 0.801 436 A HN 0.528 nan 8.150 nan 0.000 0.452 437 L N -0.165 121.040 121.223 -0.031 0.000 2.275 437 L HA -0.129 4.211 4.340 0.000 0.000 0.215 437 L C 1.549 178.410 176.870 -0.016 0.000 1.119 437 L CA 0.681 55.468 54.840 -0.088 0.000 0.790 437 L CB -0.504 41.523 42.059 -0.054 0.000 0.919 437 L HN 0.439 nan 8.230 nan 0.000 0.443 438 N N 0.287 119.006 118.700 0.031 0.000 2.521 438 N HA -0.015 4.725 4.740 0.000 0.000 0.188 438 N C 1.736 177.268 175.510 0.038 0.000 1.146 438 N CA 0.783 53.868 53.050 0.058 0.000 0.893 438 N CB 0.334 38.852 38.487 0.052 0.000 0.975 438 N HN 0.304 nan 8.380 nan 0.000 0.451 439 A N 0.636 123.463 122.820 0.012 0.000 1.968 439 A HA 0.013 4.333 4.320 0.000 0.000 0.217 439 A C 0.818 178.415 177.584 0.021 0.000 1.169 439 A CA 0.704 52.746 52.037 0.008 0.000 0.638 439 A CB 0.056 19.051 19.000 -0.009 0.000 0.812 439 A HN 0.059 nan 8.150 nan 0.000 0.446 440 L N 0.717 121.953 121.223 0.022 0.000 2.292 440 L HA 0.287 4.627 4.340 0.000 0.000 0.284 440 L C 0.227 177.201 176.870 0.173 0.000 1.065 440 L CA -0.329 54.554 54.840 0.072 0.000 0.806 440 L CB 0.807 42.878 42.059 0.021 0.000 1.175 440 L HN 0.181 nan 8.230 nan 0.000 0.431 441 K N 2.788 123.271 120.400 0.139 0.000 2.419 441 K HA 0.047 4.367 4.320 0.000 0.000 0.282 441 K C -0.213 176.472 176.600 0.142 0.000 1.056 441 K CA -0.472 55.885 56.287 0.117 0.000 1.035 441 K CB 0.496 33.031 32.500 0.059 0.000 0.921 441 K HN 0.330 nan 8.250 nan 0.000 0.472 442 L N 4.852 126.135 121.223 0.099 0.000 2.455 442 L HA 0.004 4.344 4.340 0.000 0.000 0.272 442 L C -0.526 176.272 176.870 -0.120 0.000 1.174 442 L CA 0.153 54.932 54.840 -0.101 0.000 0.869 442 L CB 0.787 42.796 42.059 -0.083 0.000 1.130 442 L HN 0.234 nan 8.230 nan 0.000 0.474 443 V N 6.139 125.926 119.914 -0.211 0.000 2.432 443 V HA 0.380 4.500 4.120 0.000 0.000 0.271 443 V C 0.848 176.865 176.094 -0.129 0.000 1.046 443 V CA 0.386 62.597 62.300 -0.147 0.000 0.945 443 V CB 0.351 32.068 31.823 -0.177 0.000 0.992 443 V HN 1.086 nan 8.190 nan 0.000 0.471 444 T N 0.827 115.338 114.554 -0.072 0.000 1.701 444 T HA 0.294 4.644 4.350 0.000 0.000 0.180 444 T C -0.086 174.597 174.700 -0.027 0.000 0.686 444 T CA -0.321 61.750 62.100 -0.048 0.000 1.314 444 T CB 0.458 69.308 68.868 -0.030 0.000 3.356 444 T HN 0.400 nan 8.240 nan 0.000 0.410 445 D N 2.260 122.652 120.400 -0.015 0.000 3.088 445 D HA 0.377 5.017 4.640 0.000 0.000 0.310 445 D C 0.128 176.424 176.300 -0.006 0.000 1.351 445 D CA -0.308 53.688 54.000 -0.007 0.000 0.921 445 D CB 0.293 41.092 40.800 -0.002 0.000 1.045 445 D HN 0.613 nan 8.370 nan 0.000 0.504 446 E N 0.416 120.610 120.200 -0.010 0.000 2.450 446 E HA 0.354 4.704 4.350 0.000 0.000 0.272 446 E C -0.306 176.289 176.600 -0.008 0.000 0.967 446 E CA -0.500 55.895 56.400 -0.007 0.000 0.818 446 E CB 1.531 31.227 29.700 -0.007 0.000 1.401 446 E HN 0.032 nan 8.360 nan 0.000 0.450 447 N N -0.406 118.291 118.700 -0.005 0.000 2.539 447 N HA 0.069 4.809 4.740 0.000 0.000 0.326 447 N C -0.656 174.853 175.510 -0.002 0.000 0.622 447 N CA 0.656 53.704 53.050 -0.004 0.000 1.237 447 N CB 0.014 38.502 38.487 0.001 0.000 1.806 447 N HN 0.612 nan 8.380 nan 0.000 1.552 448 K N -0.640 119.760 120.400 -0.000 0.000 1.550 448 K HA -0.104 4.216 4.320 0.000 0.000 0.655 448 K C 0.261 176.862 176.600 0.001 0.000 1.846 448 K CA 1.642 57.929 56.287 0.001 0.000 1.076 448 K CB -1.488 31.013 32.500 0.001 0.000 1.876 448 K HN 0.634 nan 8.250 nan 0.000 0.594 456 A N 1.642 124.461 122.820 -0.002 0.000 2.306 456 A HA 0.651 4.971 4.320 0.000 0.000 0.330 456 A C -2.508 175.069 177.584 -0.011 0.000 1.146 456 A CA -1.181 50.853 52.037 -0.006 0.000 0.827 456 A CB 0.425 19.422 19.000 -0.005 0.000 1.178 456 A HN 0.085 nan 8.150 nan 0.000 0.490 457 P HA 0.101 nan 4.420 nan 0.000 0.260 457 P C -0.753 176.523 177.300 -0.041 0.000 1.185 457 P CA 0.463 63.547 63.100 -0.026 0.000 0.763 457 P CB 0.197 31.877 31.700 -0.033 0.000 0.776 458 K N 2.214 122.583 120.400 -0.052 0.000 2.138 458 K HA 0.638 4.958 4.320 0.000 0.000 0.263 458 K C -0.123 176.404 176.600 -0.122 0.000 0.965 458 K CA -0.557 55.649 56.287 -0.135 0.000 0.868 458 K CB 1.429 33.763 32.500 -0.276 0.000 1.083 458 K HN 0.437 nan 8.250 nan 0.000 0.443 459 A N 3.061 125.813 122.820 -0.113 0.000 2.288 459 A HA 0.502 4.822 4.320 0.000 0.000 0.320 459 A C -1.381 176.154 177.584 -0.082 0.000 1.217 459 A CA -0.449 51.590 52.037 0.002 0.000 0.840 459 A CB 0.163 19.275 19.000 0.187 0.000 1.179 459 A HN 0.653 nan 8.150 nan 0.000 0.504 460 Y N 1.311 121.599 120.300 -0.020 0.000 2.387 460 Y HA 0.612 5.162 4.550 0.000 0.000 0.336 460 Y C -0.194 175.555 175.900 -0.251 0.000 1.067 460 Y CA -0.397 57.517 58.100 -0.310 0.000 1.114 460 Y CB 1.847 39.830 38.460 -0.794 0.000 1.208 460 Y HN 0.529 nan 8.280 nan 0.000 0.458 461 L N 1.802 122.972 121.223 -0.089 0.000 2.381 461 L HA 0.641 4.981 4.340 0.000 0.000 0.268 461 L C -0.756 176.213 176.870 0.166 0.000 0.997 461 L CA -0.244 54.599 54.840 0.005 0.000 0.818 461 L CB 2.311 44.289 42.059 -0.136 0.000 1.310 461 L HN 0.496 nan 8.230 nan 0.000 0.416 462 S N 0.348 116.157 115.700 0.182 0.000 2.736 462 S HA 0.626 5.096 4.470 0.000 0.000 0.285 462 S C -0.642 173.982 174.600 0.040 0.000 1.163 462 S CA -0.742 57.558 58.200 0.165 0.000 1.025 462 S CB 1.593 64.891 63.200 0.164 0.000 1.030 462 S HN 0.689 nan 8.310 nan 0.000 0.486 463 T N 1.413 116.036 114.554 0.116 0.000 2.856 463 T HA 0.845 5.195 4.350 0.000 0.000 0.283 463 T C -0.536 174.223 174.700 0.098 0.000 1.008 463 T CA -0.726 61.400 62.100 0.043 0.000 0.997 463 T CB 1.006 69.913 68.868 0.066 0.000 0.992 463 T HN 0.396 nan 8.240 nan 0.000 0.454 464 M N 2.379 121.943 119.600 -0.060 0.000 2.530 464 M HA 0.554 5.034 4.480 0.000 0.000 0.307 464 M C -1.653 174.556 176.300 -0.152 0.000 1.161 464 M CA -0.695 54.634 55.300 0.049 0.000 0.903 464 M CB 2.547 35.218 32.600 0.118 0.000 1.711 464 M HN 0.673 nan 8.290 nan 0.000 0.451 465 Y N 2.112 122.548 120.300 0.228 0.000 2.393 465 Y HA 0.696 5.246 4.550 0.000 0.000 0.341 465 Y C -0.508 175.549 175.900 0.262 0.000 0.988 465 Y CA -0.682 57.590 58.100 0.286 0.000 1.078 465 Y CB 1.349 40.086 38.460 0.462 0.000 1.203 465 Y HN 0.468 nan 8.280 nan 0.000 0.453 466 I N 2.649 123.457 120.570 0.397 0.000 2.389 466 I HA 0.406 4.576 4.170 0.000 0.000 0.288 466 I C 0.449 176.723 176.117 0.262 0.000 0.999 466 I CA -0.801 60.678 61.300 0.298 0.000 1.129 466 I CB 1.661 39.727 38.000 0.112 0.000 1.288 466 I HN 0.797 nan 8.210 nan 0.000 0.444 467 G N 7.159 116.066 108.800 0.179 0.000 2.380 467 G HA2 0.566 4.526 3.960 0.000 0.000 0.262 467 G HA3 0.566 4.526 3.960 0.000 0.000 0.262 467 G C -0.643 173.794 174.900 -0.771 0.000 1.243 467 G CA -0.307 44.431 45.100 -0.603 0.000 0.865 467 G HN 0.454 nan 8.290 nan 0.000 0.513 468 L N 1.752 122.525 121.223 -0.750 0.000 2.346 468 L HA 0.508 4.848 4.340 0.000 0.000 0.274 468 L C -0.955 175.656 176.870 -0.432 0.000 1.007 468 L CA -0.927 53.607 54.840 -0.510 0.000 0.818 468 L CB 2.498 44.444 42.059 -0.188 0.000 1.284 468 L HN 0.370 nan 8.230 nan 0.000 0.424 469 D N 1.385 121.517 120.400 -0.446 0.000 2.863 469 D HA 0.481 5.121 4.640 0.000 0.000 0.245 469 D C -1.421 174.721 176.300 -0.263 0.000 1.211 469 D CA -0.123 53.788 54.000 -0.149 0.000 0.888 469 D CB 1.532 42.307 40.800 -0.043 0.000 1.483 469 D HN 0.037 nan 8.370 nan 0.000 0.533 470 F N 2.126 122.122 119.950 0.076 0.000 2.427 470 F HA 0.395 4.922 4.527 0.000 0.000 0.346 470 F C 1.089 176.917 175.800 0.047 0.000 1.120 470 F CA -0.942 57.084 58.000 0.043 0.000 1.033 470 F CB 0.974 39.992 39.000 0.030 0.000 1.126 470 F HN 0.083 nan 8.300 nan 0.000 0.462 471 N N 2.766 121.566 118.700 0.167 0.000 2.416 471 N HA 0.176 4.916 4.740 0.000 0.000 0.246 471 N C -0.315 175.275 175.510 0.133 0.000 1.260 471 N CA 0.055 53.178 53.050 0.122 0.000 0.897 471 N CB 0.870 39.402 38.487 0.074 0.000 1.110 471 N HN 0.495 nan 8.380 nan 0.000 0.439 472 I N 1.579 122.208 120.570 0.097 0.000 2.281 472 I HA 0.080 4.250 4.170 0.000 0.000 0.293 472 I C 1.070 177.222 176.117 0.058 0.000 1.085 472 I CA -0.128 61.217 61.300 0.076 0.000 1.257 472 I CB 0.253 38.293 38.000 0.066 0.000 1.430 472 I HN 0.246 nan 8.210 nan 0.000 0.489 473 E N 4.342 124.574 120.200 0.054 0.000 2.397 473 E HA 0.100 4.450 4.350 0.000 0.000 0.254 473 E C 0.309 176.928 176.600 0.031 0.000 1.231 473 E CA -0.337 56.087 56.400 0.041 0.000 0.954 473 E CB 0.635 30.359 29.700 0.039 0.000 1.024 473 E HN 0.440 nan 8.360 nan 0.000 0.481 474 N N 1.113 119.828 118.700 0.026 0.000 2.322 474 N HA 0.061 4.801 4.740 0.000 0.000 0.216 474 N C -1.053 174.467 175.510 0.017 0.000 1.144 474 N CA 0.360 53.422 53.050 0.021 0.000 0.830 474 N CB 0.262 38.761 38.487 0.020 0.000 1.034 474 N HN 0.227 nan 8.380 nan 0.000 0.484 475 K N -0.518 119.892 120.400 0.016 0.000 2.295 475 K HA 0.507 4.827 4.320 0.000 0.000 0.239 475 K C 1.222 177.827 176.600 0.008 0.000 0.991 475 K CA -0.651 55.643 56.287 0.011 0.000 0.845 475 K CB 0.902 33.407 32.500 0.010 0.000 1.197 475 K HN -0.192 nan 8.250 nan 0.000 0.441 476 K N 0.849 121.252 120.400 0.005 0.000 2.025 476 K HA -0.070 4.250 4.320 0.000 0.000 0.207 476 K C 0.485 177.083 176.600 -0.004 0.000 1.049 476 K CA 1.694 57.982 56.287 0.001 0.000 0.933 476 K CB -0.848 31.652 32.500 0.000 0.000 0.714 476 K HN 0.708 nan 8.250 nan 0.000 0.438 477 E N 0.857 121.053 120.200 -0.007 0.000 2.266 477 E HA 0.475 4.825 4.350 0.000 0.000 0.277 477 E C -0.664 175.926 176.600 -0.018 0.000 1.018 477 E CA -0.774 55.617 56.400 -0.016 0.000 0.840 477 E CB 1.475 31.164 29.700 -0.019 0.000 1.082 477 E HN 0.354 nan 8.360 nan 0.000 0.395 478 K N 0.617 120.995 120.400 -0.036 0.000 2.118 478 K HA 0.327 4.647 4.320 0.000 0.000 0.240 478 K C -0.265 176.311 176.600 -0.040 0.000 1.035 478 K CA -0.716 55.543 56.287 -0.047 0.000 0.899 478 K CB 0.624 33.061 32.500 -0.105 0.000 1.085 478 K HN 0.507 nan 8.250 nan 0.000 0.498 479 V N -0.655 119.249 119.914 -0.016 0.000 2.637 479 V HA 0.150 4.270 4.120 0.000 0.000 0.296 479 V C -0.206 175.878 176.094 -0.018 0.000 1.046 479 V CA -0.573 61.740 62.300 0.021 0.000 1.066 479 V CB 1.107 32.997 31.823 0.113 0.000 0.968 479 V HN 0.649 nan 8.190 nan 0.000 0.483 480 D N 2.689 123.090 120.400 0.001 0.000 2.217 480 D HA 0.505 5.145 4.640 0.000 0.000 0.243 480 D C 0.560 176.881 176.300 0.035 0.000 1.054 480 D CA -0.555 53.457 54.000 0.021 0.000 0.838 480 D CB 1.539 42.356 40.800 0.028 0.000 1.162 480 D HN 0.673 nan 8.370 nan 0.000 0.472 481 I N 0.246 120.818 120.570 0.003 0.000 3.976 481 I HA 0.271 4.441 4.170 0.000 0.000 0.337 481 I C 0.509 176.583 176.117 -0.072 0.000 1.359 481 I CA -0.312 60.950 61.300 -0.062 0.000 1.098 481 I CB -0.000 37.917 38.000 -0.138 0.000 1.027 481 I HN 0.270 nan 8.210 nan 0.000 0.394 482 H N 1.696 120.732 119.070 -0.058 0.000 2.389 482 H HA 0.028 4.584 4.556 0.000 0.000 0.299 482 H C 2.134 177.467 175.328 0.009 0.000 1.081 482 H CA 2.214 58.249 56.048 -0.021 0.000 1.345 482 H CB -0.196 29.553 29.762 -0.022 0.000 1.393 482 H HN 0.330 nan 8.280 nan 0.000 0.520 483 I N 0.800 121.446 120.570 0.126 0.000 2.127 483 I HA -0.194 3.976 4.170 0.000 0.000 0.241 483 I C -0.412 175.750 176.117 0.075 0.000 1.075 483 I CA 1.116 62.467 61.300 0.085 0.000 1.334 483 I CB -1.078 36.957 38.000 0.059 0.000 1.040 483 I HN 0.293 nan 8.210 nan 0.000 0.405 484 P HA -0.054 nan 4.420 nan 0.000 0.220 484 P C 1.707 179.057 177.300 0.085 0.000 1.152 484 P CA 1.260 64.397 63.100 0.061 0.000 0.812 484 P CB -0.095 31.621 31.700 0.027 0.000 0.792 485 C N -0.258 119.071 119.300 0.048 0.000 2.496 485 C HA -0.091 4.369 4.460 0.000 0.000 0.281 485 C C 2.894 177.974 174.990 0.149 0.000 1.250 485 C CA 1.790 60.842 59.018 0.057 0.000 1.717 485 C CB -1.808 25.910 27.740 -0.037 0.000 2.082 485 C HN 0.256 nan 8.230 nan 0.000 0.472 486 T N 0.253 114.884 114.554 0.128 0.000 2.685 486 T HA -0.271 4.079 4.350 0.000 0.000 0.268 486 T C 1.723 176.513 174.700 0.151 0.000 1.034 486 T CA 2.056 64.242 62.100 0.143 0.000 1.149 486 T CB -0.441 68.504 68.868 0.128 0.000 0.860 486 T HN 0.676 nan 8.240 nan 0.000 0.449 487 E N -0.279 120.007 120.200 0.142 0.000 2.023 487 E HA -0.173 4.177 4.350 0.000 0.000 0.196 487 E C 2.007 178.707 176.600 0.168 0.000 1.003 487 E CA 1.351 57.832 56.400 0.134 0.000 0.809 487 E CB -0.307 29.463 29.700 0.116 0.000 0.755 487 E HN 0.568 nan 8.360 nan 0.000 0.449 488 F N 0.824 120.804 119.950 0.050 0.000 2.120 488 F HA -0.252 4.275 4.527 0.000 0.000 0.300 488 F C 2.123 177.963 175.800 0.066 0.000 1.095 488 F CA 1.465 59.492 58.000 0.045 0.000 1.249 488 F CB -0.244 38.770 39.000 0.023 0.000 0.995 488 F HN -0.092 nan 8.300 nan 0.000 0.480 489 V N 0.830 120.900 119.914 0.259 0.000 2.307 489 V HA -0.330 3.790 4.120 0.000 0.000 0.245 489 V C 1.912 178.081 176.094 0.125 0.000 1.045 489 V CA 2.465 64.881 62.300 0.193 0.000 1.024 489 V CB -0.842 31.130 31.823 0.248 0.000 0.651 489 V HN 0.408 nan 8.190 nan 0.000 0.449 490 N N -0.143 118.632 118.700 0.125 0.000 2.272 490 N HA -0.204 4.536 4.740 0.000 0.000 0.185 490 N C 1.624 177.190 175.510 0.093 0.000 1.014 490 N CA 1.131 54.250 53.050 0.114 0.000 0.870 490 N CB -0.115 38.433 38.487 0.101 0.000 0.975 490 N HN 0.356 nan 8.380 nan 0.000 0.433 491 L N -0.198 121.050 121.223 0.041 0.000 2.341 491 L HA 0.082 4.422 4.340 0.000 0.000 0.214 491 L C 1.651 178.557 176.870 0.060 0.000 1.115 491 L CA 1.001 55.863 54.840 0.036 0.000 0.820 491 L CB 0.088 42.133 42.059 -0.024 0.000 0.944 491 L HN 0.161 nan 8.230 nan 0.000 0.452 492 C N -1.312 117.966 119.300 -0.037 0.000 2.518 492 C HA 0.139 4.599 4.460 0.000 0.000 0.283 492 C C 2.683 177.844 174.990 0.285 0.000 1.351 492 C CA -0.233 58.807 59.018 0.038 0.000 1.745 492 C CB -0.437 27.211 27.740 -0.155 0.000 2.107 492 C HN 0.441 nan 8.230 nan 0.000 0.502 493 R N 2.270 122.921 120.500 0.252 0.000 2.082 493 R HA -0.084 4.256 4.340 0.000 0.000 0.234 493 R C 2.197 178.599 176.300 0.169 0.000 1.136 493 R CA 2.088 58.305 56.100 0.196 0.000 0.935 493 R CB -0.796 29.635 30.300 0.218 0.000 0.842 493 R HN 0.505 nan 8.270 nan 0.000 0.430 494 S N 0.197 115.997 115.700 0.167 0.000 2.607 494 S HA -0.013 4.457 4.470 0.000 0.000 0.224 494 S C 1.426 176.116 174.600 0.150 0.000 0.969 494 S CA 0.122 58.399 58.200 0.130 0.000 0.927 494 S CB -0.314 62.943 63.200 0.095 0.000 0.772 494 S HN 0.256 nan 8.310 nan 0.000 0.533 495 F N 2.663 122.650 119.950 0.062 0.000 2.120 495 F HA -0.042 4.485 4.527 0.000 0.000 0.300 495 F C 0.828 176.672 175.800 0.072 0.000 1.095 495 F CA 0.986 59.026 58.000 0.067 0.000 1.249 495 F CB -0.120 38.939 39.000 0.097 0.000 0.995 495 F HN 0.148 nan 8.300 nan 0.000 0.480 496 N N -1.370 117.546 118.700 0.359 0.000 2.457 496 N HA 0.192 4.932 4.740 0.000 0.000 0.290 496 N C 0.399 175.936 175.510 0.045 0.000 1.232 496 N CA -0.482 52.664 53.050 0.161 0.000 0.852 496 N CB 1.484 40.031 38.487 0.099 0.000 1.313 496 N HN -0.053 nan 8.380 nan 0.000 0.522 497 E N -0.458 119.733 120.200 -0.015 0.000 2.230 497 E HA -0.064 4.286 4.350 0.000 0.000 0.192 497 E C 0.139 176.704 176.600 -0.058 0.000 0.987 497 E CA 0.682 57.065 56.400 -0.027 0.000 0.841 497 E CB 0.244 29.926 29.700 -0.030 0.000 0.783 497 E HN 0.502 nan 8.360 nan 0.000 0.481 498 D N 0.006 120.332 120.400 -0.123 0.000 2.077 498 D HA -0.150 4.490 4.640 0.000 0.000 0.196 498 D C 1.166 177.363 176.300 -0.171 0.000 0.986 498 D CA 1.178 55.057 54.000 -0.202 0.000 0.829 498 D CB -0.225 40.327 40.800 -0.414 0.000 0.983 498 D HN 0.273 nan 8.370 nan 0.000 0.453 499 Y N -0.105 120.082 120.300 -0.189 0.000 2.632 499 Y HA 0.143 4.693 4.550 0.000 0.000 0.301 499 Y C 2.007 177.687 175.900 -0.367 0.000 1.172 499 Y CA 0.120 57.923 58.100 -0.493 0.000 1.328 499 Y CB 0.245 38.289 38.460 -0.694 0.000 1.016 499 Y HN -0.040 nan 8.280 nan 0.000 0.529 500 G N -0.826 107.910 108.800 -0.106 0.000 3.440 500 G HA2 -0.079 3.881 3.960 0.000 0.000 0.263 500 G HA3 -0.079 3.881 3.960 0.000 0.000 0.263 500 G C 0.698 175.361 174.900 -0.395 0.000 1.236 500 G CA -0.027 44.911 45.100 -0.270 0.000 0.927 500 G HN 0.208 nan 8.290 nan 0.000 0.530 501 D N 0.541 120.806 120.400 -0.226 0.000 2.120 501 D HA -0.069 4.571 4.640 0.000 0.000 0.202 501 D C 1.620 177.881 176.300 -0.066 0.000 0.972 501 D CA 0.739 54.669 54.000 -0.116 0.000 0.837 501 D CB 0.140 40.904 40.800 -0.060 0.000 0.989 501 D HN 0.370 nan 8.370 nan 0.000 0.469 502 H N -1.541 117.574 119.070 0.075 0.000 4.737 502 H HA -0.148 4.408 4.556 0.000 0.000 0.093 502 H C 1.563 176.967 175.328 0.126 0.000 0.595 502 H CA 1.500 57.609 56.048 0.103 0.000 1.158 502 H CB -0.996 28.814 29.762 0.080 0.000 0.523 502 H HN 0.265 nan 8.280 nan 0.000 0.687 503 K N 1.326 121.823 120.400 0.162 0.000 2.296 503 K HA 0.099 4.419 4.320 0.000 0.000 0.200 503 K C 2.137 178.728 176.600 -0.014 0.000 1.048 503 K CA 1.572 57.921 56.287 0.104 0.000 0.966 503 K CB 0.286 32.802 32.500 0.027 0.000 0.754 503 K HN 0.485 nan 8.250 nan 0.000 0.466 504 V N -3.562 116.261 119.914 -0.151 0.000 3.137 504 V HA 0.310 4.430 4.120 0.000 0.000 0.236 504 V C 0.282 176.110 176.094 -0.444 0.000 1.260 504 V CA -0.194 61.830 62.300 -0.459 0.000 1.244 504 V CB -0.079 31.303 31.823 -0.735 0.000 1.016 504 V HN -0.132 nan 8.190 nan 0.000 0.477 505 F N 2.300 122.237 119.950 -0.022 0.000 2.458 505 F HA 0.795 5.322 4.527 0.000 0.000 0.336 505 F C -0.053 175.782 175.800 0.059 0.000 1.114 505 F CA -0.995 56.898 58.000 -0.179 0.000 0.987 505 F CB 1.300 39.830 39.000 -0.782 0.000 1.130 505 F HN 0.144 nan 8.300 nan 0.000 0.458 506 N N 1.626 120.690 118.700 0.608 0.000 2.571 506 N HA 0.786 5.527 4.740 0.000 0.000 0.273 506 N C -2.152 173.897 175.510 0.900 0.000 1.340 506 N CA -0.725 52.721 53.050 0.660 0.000 0.789 506 N CB 2.289 41.065 38.487 0.481 0.000 1.514 506 N HN 0.444 nan 8.380 nan 0.000 0.499 507 L N 0.750 122.383 121.223 0.684 0.000 2.580 507 L HA 0.822 5.162 4.340 0.000 0.000 0.266 507 L C -1.687 175.432 176.870 0.415 0.000 0.955 507 L CA -0.352 54.810 54.840 0.537 0.000 0.886 507 L CB 1.293 43.652 42.059 0.501 0.000 1.263 507 L HN 0.676 nan 8.230 nan 0.000 0.406 508 A N 4.741 127.791 122.820 0.383 0.000 2.342 508 A HA 0.854 5.174 4.320 0.000 0.000 0.323 508 A C -1.620 176.089 177.584 0.209 0.000 1.125 508 A CA -0.444 51.783 52.037 0.315 0.000 0.785 508 A CB 1.252 20.503 19.000 0.418 0.000 1.221 508 A HN 0.562 nan 8.150 nan 0.000 0.463 509 L N 2.164 123.489 121.223 0.171 0.000 2.298 509 L HA 0.545 4.885 4.340 0.000 0.000 0.284 509 L C 0.336 177.271 176.870 0.109 0.000 1.013 509 L CA 0.126 55.029 54.840 0.105 0.000 0.824 509 L CB 1.369 43.473 42.059 0.075 0.000 1.221 509 L HN 0.795 nan 8.230 nan 0.000 0.418 510 R N 3.077 123.643 120.500 0.110 0.000 2.437 510 R HA 0.398 4.738 4.340 0.000 0.000 0.310 510 R C -1.251 175.167 176.300 0.198 0.000 0.955 510 R CA -0.696 55.489 56.100 0.142 0.000 0.851 510 R CB 0.942 31.319 30.300 0.128 0.000 1.161 510 R HN 0.363 nan 8.270 nan 0.000 0.446 511 F N 5.575 125.551 119.950 0.044 0.000 2.444 511 F HA 0.314 4.841 4.527 0.000 0.000 0.360 511 F C -0.870 175.003 175.800 0.122 0.000 1.106 511 F CA -0.012 58.033 58.000 0.075 0.000 1.170 511 F CB 0.788 39.800 39.000 0.021 0.000 1.113 511 F HN 0.122 nan 8.300 nan 0.000 0.521 512 V N 5.983 125.748 119.914 -0.249 0.000 2.760 512 V HA 0.340 4.460 4.120 0.000 0.000 0.309 512 V C -0.445 175.516 176.094 -0.223 0.000 1.077 512 V CA -1.394 60.812 62.300 -0.158 0.000 0.910 512 V CB 2.196 34.013 31.823 -0.011 0.000 1.008 512 V HN 0.541 nan 8.190 nan 0.000 0.424 513 K N 1.927 122.181 120.400 -0.243 0.000 2.237 513 K HA 0.395 4.715 4.320 0.000 0.000 0.270 513 K C 1.441 177.834 176.600 -0.345 0.000 1.015 513 K CA 0.356 56.393 56.287 -0.417 0.000 0.949 513 K CB 1.093 33.166 32.500 -0.712 0.000 0.976 513 K HN 0.889 nan 8.250 nan 0.000 0.472 514 G N 1.960 110.587 108.800 -0.289 0.000 2.574 514 G HA2 -0.331 3.629 3.960 0.000 0.000 0.220 514 G HA3 -0.331 3.629 3.960 0.000 0.000 0.220 514 G C 1.296 176.111 174.900 -0.142 0.000 1.173 514 G CA 1.556 46.590 45.100 -0.110 0.000 0.772 514 G HN 0.839 nan 8.290 nan 0.000 0.585 515 Y N 0.064 120.331 120.300 -0.056 0.000 2.403 515 Y HA 0.097 4.647 4.550 0.000 0.000 0.291 515 Y C 1.484 177.362 175.900 -0.036 0.000 1.143 515 Y CA 0.764 58.832 58.100 -0.054 0.000 1.257 515 Y CB -0.418 38.017 38.460 -0.042 0.000 0.984 515 Y HN 0.149 nan 8.280 nan 0.000 0.550 516 D N 0.918 121.346 120.400 0.047 0.000 2.325 516 D HA 0.133 4.773 4.640 0.000 0.000 0.225 516 D C 0.299 176.598 176.300 -0.002 0.000 1.096 516 D CA 0.046 54.103 54.000 0.095 0.000 0.844 516 D CB 0.042 40.885 40.800 0.072 0.000 0.925 516 D HN 0.335 nan 8.370 nan 0.000 0.513 517 L N 1.731 122.897 121.223 -0.094 0.000 2.483 517 L HA 0.086 4.426 4.340 0.000 0.000 0.276 517 L C -1.961 174.784 176.870 -0.209 0.000 1.213 517 L CA -1.229 53.473 54.840 -0.230 0.000 0.843 517 L CB 0.064 41.855 42.059 -0.447 0.000 1.107 517 L HN -0.229 nan 8.230 nan 0.000 0.487 518 P HA 0.071 nan 4.420 nan 0.000 0.274 518 P C -0.224 176.905 177.300 -0.285 0.000 1.231 518 P CA -0.387 62.567 63.100 -0.243 0.000 0.790 518 P CB 0.596 32.102 31.700 -0.324 0.000 0.951 519 D N 1.244 121.578 120.400 -0.110 0.000 2.158 519 D HA -0.216 4.424 4.640 0.000 0.000 0.197 519 D C 1.631 177.837 176.300 -0.156 0.000 0.995 519 D CA 1.366 55.338 54.000 -0.046 0.000 0.846 519 D CB -0.307 40.514 40.800 0.034 0.000 0.941 519 D HN 0.646 nan 8.370 nan 0.000 0.456 520 E N 0.472 120.536 120.200 -0.227 0.000 2.333 520 E HA -0.158 4.192 4.350 0.000 0.000 0.200 520 E C 1.730 178.060 176.600 -0.449 0.000 1.010 520 E CA 0.762 57.035 56.400 -0.211 0.000 0.841 520 E CB -0.134 29.493 29.700 -0.122 0.000 0.757 520 E HN 0.126 nan 8.360 nan 0.000 0.508 521 V N 0.104 119.445 119.914 -0.956 0.000 3.354 521 V HA 0.092 4.212 4.120 0.000 0.000 0.258 521 V C 0.237 175.565 176.094 -1.276 0.000 1.159 521 V CA 0.522 61.825 62.300 -1.662 0.000 1.125 521 V CB -0.224 30.061 31.823 -2.563 0.000 0.774 521 V HN 0.151 nan 8.190 nan 0.000 0.464 522 F N 0.091 119.779 119.950 -0.436 0.000 2.450 522 F HA 0.466 4.993 4.527 0.000 0.000 0.332 522 F C 0.465 176.218 175.800 -0.079 0.000 1.093 522 F CA -1.264 56.605 58.000 -0.218 0.000 1.003 522 F CB 0.621 39.498 39.000 -0.205 0.000 1.151 522 F HN -0.055 nan 8.300 nan 0.000 0.474 523 D N 1.468 121.974 120.400 0.177 0.000 2.361 523 D HA -0.008 4.632 4.640 0.000 0.000 0.239 523 D C 1.089 177.453 176.300 0.106 0.000 1.200 523 D CA 0.076 54.149 54.000 0.122 0.000 0.915 523 D CB 0.715 41.584 40.800 0.115 0.000 1.170 523 D HN 0.528 nan 8.370 nan 0.000 0.444 524 E N 0.500 120.742 120.200 0.070 0.000 2.338 524 E HA -0.138 4.212 4.350 0.000 0.000 0.197 524 E C 1.270 177.894 176.600 0.040 0.000 1.007 524 E CA 0.626 57.056 56.400 0.049 0.000 0.849 524 E CB -0.068 29.654 29.700 0.037 0.000 0.774 524 E HN 0.457 nan 8.360 nan 0.000 0.506 525 N N 0.013 118.743 118.700 0.048 0.000 2.325 525 N HA -0.039 4.701 4.740 0.000 0.000 0.182 525 N C 0.281 175.812 175.510 0.036 0.000 1.088 525 N CA 0.118 53.188 53.050 0.034 0.000 0.879 525 N CB 0.144 38.650 38.487 0.031 0.000 0.983 525 N HN -0.013 nan 8.380 nan 0.000 0.471 526 E N -0.080 120.165 120.200 0.074 0.000 2.283 526 E HA 0.365 4.715 4.350 0.000 0.000 0.267 526 E C -0.602 176.013 176.600 0.026 0.000 1.045 526 E CA -0.574 55.882 56.400 0.092 0.000 0.884 526 E CB 0.982 30.846 29.700 0.273 0.000 1.106 526 E HN -0.068 nan 8.360 nan 0.000 0.408 527 K N 1.338 121.708 120.400 -0.050 0.000 2.435 527 K HA 0.285 4.605 4.320 0.000 0.000 0.251 527 K C -0.883 175.494 176.600 -0.372 0.000 0.954 527 K CA -0.851 55.321 56.287 -0.192 0.000 0.820 527 K CB 1.661 34.080 32.500 -0.134 0.000 1.292 527 K HN 0.587 nan 8.250 nan 0.000 0.436 528 R N -0.211 119.871 120.500 -0.696 0.000 2.678 528 R HA 0.409 4.749 4.340 0.000 0.000 0.264 528 R C -2.062 174.016 176.300 -0.371 0.000 0.995 528 R CA -0.549 54.980 56.100 -0.953 0.000 1.098 528 R CB -0.966 28.865 30.300 -0.783 0.000 0.949 528 R HN 0.481 nan 8.270 nan 0.000 0.422 529 P HA 0.000 nan 4.420 nan 0.000 0.216 529 P CA 0.000 63.105 63.100 0.008 0.000 0.800 529 P CB 0.000 31.796 31.700 0.160 0.000 0.726