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 3gbd_1_A DATA FIRST_RESID 16 DATA SEQUENCE TIPKWWKEAV FYQVYPRSFK DTNGDGIGDI NGIIEKLDYL KALGIDAIWI DATA SEQUENCE NPHYDSPNTD NGYDIRDYRK IMKEYGTMED FDRLISEMKK RNMRLMIDVV DATA SEQUENCE INHTSDQNEW FVKSKSSKDN PYRGYYFWKD AKEGQAPNNY PSFFGGSAWQ DATA SEQUENCE KDEKTNQYYL HYFAKQQPDL NWDNPKVRQD LYAMLRFWLD KGVSGLRFDT DATA SEQUENCE VATYSKIPDF PNLTQQQLKN FAAEYTKGPN IHRYVNEMNK EVLSHYDIAT DATA SEQUENCE AGEIFGVPLD QSIKFFDRRR DELNIAFTFD LIRLDRDSDQ RWRRKDWKLS DATA SEQUENCE QFRQIIDNVD RTAGEYGWNA FFLDNHDNPR AVSHFGDDRP QWREPSAKAL DATA SEQUENCE ATLTLTQRAT PFIYQGSELG MTNYPFKAID EFDDIEVKGF WHDYVETGKV DATA SEQUENCE KADEFLQNVR LTSRDNSRTP FQWDGSKNAG FTSGKPWFKV NPNYQEINAV DATA SEQUENCE SQVTQPDSVF NYYRQLIKIR HDIPALTYGT YTDLDPANDS VYAYTRSLGA DATA SEQUENCE EKYLVVVNFK EQMMRYKLPD NLSIEKVIID SNSKNVVKKN DSLLELKPWQ DATA SEQUENCE SGVYKLNQ 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 16 T HA 0.000 nan 4.350 nan 0.000 0.228 16 T C 0.000 174.602 174.700 -0.163 0.000 1.109 16 T CA 0.000 62.044 62.100 -0.093 0.000 1.349 16 T CB 0.000 68.805 68.868 -0.105 0.000 0.612 17 I N 3.129 123.604 120.570 -0.159 0.000 2.404 17 I HA 0.555 4.725 4.170 -0.001 0.000 0.293 17 I C -2.217 173.731 176.117 -0.283 0.000 0.992 17 I CA -2.630 58.559 61.300 -0.184 0.000 1.149 17 I CB 1.678 39.621 38.000 -0.095 0.000 1.315 17 I HN 0.288 nan 8.210 nan 0.000 0.446 18 P HA 0.242 nan 4.420 nan 0.000 0.276 18 P C -1.116 176.029 177.300 -0.259 0.000 1.230 18 P CA -0.247 62.682 63.100 -0.284 0.000 0.776 18 P CB 1.069 32.626 31.700 -0.238 0.000 0.888 19 K N 2.700 122.873 120.400 -0.377 0.000 2.501 19 K HA 0.120 4.439 4.320 -0.001 0.000 0.252 19 K C 1.260 177.527 176.600 -0.556 0.000 0.934 19 K CA -0.564 55.308 56.287 -0.691 0.000 0.797 19 K CB 1.527 33.023 32.500 -1.674 0.000 1.270 19 K HN 0.637 nan 8.250 nan 0.000 0.431 20 W N 3.580 124.709 121.300 -0.285 0.000 2.350 20 W HA -0.152 4.507 4.660 -0.000 0.000 0.289 20 W C 0.991 177.517 176.519 0.011 0.000 1.215 20 W CA 0.992 58.290 57.345 -0.079 0.000 1.236 20 W CB -0.579 28.902 29.460 0.035 0.000 1.130 20 W HN 0.765 nan 8.180 nan 0.000 0.541 21 W N 1.484 122.271 121.300 -0.856 0.000 2.937 21 W HA 0.177 4.837 4.660 -0.001 0.000 0.245 21 W C 1.323 177.715 176.519 -0.211 0.000 1.306 21 W CA 0.429 57.344 57.345 -0.715 0.000 1.470 21 W CB -1.082 27.709 29.460 -1.115 0.000 1.132 21 W HN -0.014 nan 8.180 nan 0.000 0.675 22 K N 1.045 121.140 120.400 -0.508 0.000 2.284 22 K HA -0.010 4.310 4.320 -0.001 0.000 0.198 22 K C 1.606 178.123 176.600 -0.139 0.000 1.048 22 K CA 0.965 56.949 56.287 -0.505 0.000 0.987 22 K CB 0.079 31.772 32.500 -1.346 0.000 0.800 22 K HN 0.129 nan 8.250 nan 0.000 0.486 23 E N 0.746 120.878 120.200 -0.112 0.000 2.340 23 E HA 0.092 4.442 4.350 -0.001 0.000 0.194 23 E C 0.144 176.854 176.600 0.183 0.000 0.996 23 E CA -0.236 56.170 56.400 0.009 0.000 0.869 23 E CB 0.478 30.207 29.700 0.049 0.000 0.835 23 E HN 0.171 nan 8.360 nan 0.000 0.493 24 A N 1.319 124.307 122.820 0.280 0.000 2.445 24 A HA 0.219 4.538 4.320 -0.001 0.000 0.242 24 A C 0.093 177.873 177.584 0.326 0.000 1.075 24 A CA -0.193 52.045 52.037 0.335 0.000 0.777 24 A CB 0.546 19.783 19.000 0.396 0.000 1.013 24 A HN 0.018 nan 8.150 nan 0.000 0.493 25 V N 3.294 123.347 119.914 0.233 0.000 2.333 25 V HA 0.315 4.434 4.120 -0.001 0.000 0.274 25 V C -0.612 175.577 176.094 0.157 0.000 1.028 25 V CA -0.078 62.337 62.300 0.193 0.000 0.851 25 V CB 0.054 31.938 31.823 0.101 0.000 1.000 25 V HN 0.661 nan 8.190 nan 0.000 0.456 26 F N 4.161 124.044 119.950 -0.112 0.000 2.377 26 F HA 0.525 5.052 4.527 -0.001 0.000 0.328 26 F C -0.210 175.622 175.800 0.054 0.000 1.094 26 F CA -0.498 57.396 58.000 -0.176 0.000 1.093 26 F CB 1.087 39.526 39.000 -0.934 0.000 1.214 26 F HN 0.449 nan 8.300 nan 0.000 0.518 27 Y N 2.431 122.861 120.300 0.217 0.000 2.373 27 Y HA 0.291 4.841 4.550 -0.001 0.000 0.336 27 Y C -0.682 175.346 175.900 0.213 0.000 0.979 27 Y CA -0.839 57.368 58.100 0.179 0.000 1.080 27 Y CB 1.213 39.714 38.460 0.070 0.000 1.190 27 Y HN 0.565 nan 8.280 nan 0.000 0.446 28 Q N 5.378 125.174 119.800 -0.007 0.000 2.278 28 Q HA 0.582 4.922 4.340 -0.001 0.000 0.257 28 Q C -1.715 174.084 176.000 -0.334 0.000 0.928 28 Q CA -0.637 55.139 55.803 -0.045 0.000 0.932 28 Q CB 1.270 30.026 28.738 0.030 0.000 1.221 28 Q HN 0.630 nan 8.270 nan 0.000 0.434 29 V N 5.114 124.848 119.914 -0.300 0.000 2.398 29 V HA 0.168 4.287 4.120 -0.001 0.000 0.286 29 V C -1.021 174.903 176.094 -0.283 0.000 1.026 29 V CA -0.659 61.405 62.300 -0.394 0.000 0.868 29 V CB 1.182 32.697 31.823 -0.514 0.000 0.982 29 V HN 0.706 nan 8.190 nan 0.000 0.443 30 Y N 8.406 128.548 120.300 -0.264 0.000 2.700 30 Y HA 0.372 4.922 4.550 -0.001 0.000 0.333 30 Y C -1.754 174.108 175.900 -0.064 0.000 1.036 30 Y CA -2.479 55.554 58.100 -0.112 0.000 1.287 30 Y CB 1.446 39.968 38.460 0.104 0.000 1.132 30 Y HN 0.532 nan 8.280 nan 0.000 0.510 31 P HA -0.306 nan 4.420 nan 0.000 0.217 31 P C 1.490 178.620 177.300 -0.283 0.000 1.158 31 P CA 2.108 64.941 63.100 -0.445 0.000 0.887 31 P CB 0.187 31.292 31.700 -0.992 0.000 0.792 32 R N -0.633 119.654 120.500 -0.356 0.000 2.139 32 R HA -0.083 4.257 4.340 -0.001 0.000 0.243 32 R C 0.846 177.383 176.300 0.394 0.000 1.145 32 R CA 1.734 57.785 56.100 -0.082 0.000 0.976 32 R CB -0.285 29.792 30.300 -0.372 0.000 0.866 32 R HN 0.148 nan 8.270 nan 0.000 0.449 33 S N -0.782 115.260 115.700 0.570 0.000 2.754 33 S HA 0.126 4.595 4.470 -0.001 0.000 0.247 33 S C -0.037 174.921 174.600 0.596 0.000 1.031 33 S CA -0.674 57.897 58.200 0.617 0.000 1.014 33 S CB 0.313 63.903 63.200 0.649 0.000 0.918 33 S HN 0.205 nan 8.310 nan 0.000 0.519 34 F N 2.726 122.973 119.950 0.495 0.000 2.202 34 F HA 0.524 5.051 4.527 -0.001 0.000 0.279 34 F C 0.449 176.693 175.800 0.739 0.000 1.077 34 F CA 0.676 58.943 58.000 0.445 0.000 1.193 34 F CB 0.259 39.390 39.000 0.218 0.000 1.090 34 F HN -0.034 nan 8.300 nan 0.000 0.516 35 K N 0.680 121.367 120.400 0.478 0.000 2.588 35 K HA 0.220 4.540 4.320 -0.001 0.000 0.250 35 K C -2.095 174.411 176.600 -0.156 0.000 0.972 35 K CA -0.508 55.825 56.287 0.076 0.000 0.821 35 K CB 1.046 33.370 32.500 -0.293 0.000 1.249 35 K HN 0.080 nan 8.250 nan 0.000 0.442 36 D N 1.892 121.964 120.400 -0.547 0.000 2.225 36 D HA 0.221 4.860 4.640 -0.001 0.000 0.248 36 D C 0.319 176.436 176.300 -0.305 0.000 1.096 36 D CA -0.232 53.507 54.000 -0.434 0.000 0.863 36 D CB 1.462 41.875 40.800 -0.644 0.000 1.156 36 D HN 0.601 nan 8.370 nan 0.000 0.450 37 T N -0.031 114.412 114.554 -0.184 0.000 3.044 37 T HA 0.083 4.432 4.350 -0.001 0.000 0.260 37 T C 0.509 175.143 174.700 -0.109 0.000 1.019 37 T CA -0.278 61.729 62.100 -0.154 0.000 0.921 37 T CB -0.295 68.497 68.868 -0.126 0.000 1.053 37 T HN 0.411 nan 8.240 nan 0.000 0.533 38 N N 0.576 119.223 118.700 -0.088 0.000 2.291 38 N HA 0.393 5.132 4.740 -0.001 0.000 0.244 38 N C 1.239 176.720 175.510 -0.048 0.000 1.216 38 N CA -0.104 52.912 53.050 -0.056 0.000 0.879 38 N CB 0.204 38.673 38.487 -0.031 0.000 1.167 38 N HN 0.348 nan 8.380 nan 0.000 0.515 39 G N 1.405 110.164 108.800 -0.069 0.000 2.168 39 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.257 39 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.257 39 G C 0.288 175.183 174.900 -0.008 0.000 0.997 39 G CA 0.725 45.797 45.100 -0.047 0.000 0.708 39 G HN 0.665 nan 8.290 nan 0.000 0.520 40 D N -0.882 119.521 120.400 0.005 0.000 2.340 40 D HA 0.374 5.013 4.640 -0.001 0.000 0.217 40 D C 1.767 178.131 176.300 0.107 0.000 1.081 40 D CA 0.441 54.470 54.000 0.048 0.000 0.842 40 D CB -0.502 40.325 40.800 0.045 0.000 0.934 40 D HN 1.473 nan 8.370 nan 0.000 0.511 41 G N 0.357 109.220 108.800 0.104 0.000 2.179 41 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.260 41 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.260 41 G C 0.061 175.237 174.900 0.459 0.000 0.977 41 G CA 0.290 45.545 45.100 0.258 0.000 0.641 41 G HN 0.447 nan 8.290 nan 0.000 0.533 42 I N 1.477 122.209 120.570 0.269 0.000 2.406 42 I HA 0.530 4.700 4.170 -0.001 0.000 0.290 42 I C 1.201 177.445 176.117 0.210 0.000 0.999 42 I CA -0.674 60.806 61.300 0.300 0.000 1.124 42 I CB 1.713 39.808 38.000 0.158 0.000 1.289 42 I HN 0.132 nan 8.210 nan 0.000 0.441 43 G N 4.117 113.134 108.800 0.360 0.000 2.484 43 G HA2 0.310 4.270 3.960 -0.001 0.000 0.235 43 G HA3 0.310 4.270 3.960 -0.001 0.000 0.235 43 G C -0.759 174.161 174.900 0.034 0.000 1.282 43 G CA 0.005 45.235 45.100 0.217 0.000 0.857 43 G HN 0.809 nan 8.290 nan 0.000 0.571 44 D N -0.435 119.955 120.400 -0.017 0.000 2.610 44 D HA 0.319 4.959 4.640 -0.001 0.000 0.271 44 D C 1.092 177.360 176.300 -0.053 0.000 1.174 44 D CA -0.959 53.023 54.000 -0.031 0.000 0.949 44 D CB 0.885 41.714 40.800 0.047 0.000 1.430 44 D HN 0.198 nan 8.370 nan 0.000 0.467 45 I N -0.221 120.341 120.570 -0.013 0.000 2.315 45 I HA -0.192 3.978 4.170 -0.001 0.000 0.248 45 I C 1.423 177.536 176.117 -0.006 0.000 1.117 45 I CA 0.787 62.083 61.300 -0.007 0.000 1.404 45 I CB -0.397 37.636 38.000 0.054 0.000 1.071 45 I HN 0.354 nan 8.210 nan 0.000 0.419 46 N N 1.252 119.948 118.700 -0.007 0.000 2.289 46 N HA -0.114 4.626 4.740 -0.001 0.000 0.184 46 N C 1.889 177.365 175.510 -0.055 0.000 1.016 46 N CA 1.442 54.474 53.050 -0.031 0.000 0.872 46 N CB -0.613 37.854 38.487 -0.034 0.000 0.973 46 N HN 0.424 nan 8.380 nan 0.000 0.433 47 G N 1.137 109.906 108.800 -0.052 0.000 2.402 47 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.216 47 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.216 47 G C 1.627 176.527 174.900 -0.001 0.000 1.162 47 G CA 0.297 45.346 45.100 -0.085 0.000 0.777 47 G HN 0.264 nan 8.290 nan 0.000 0.539 48 I N 0.621 121.261 120.570 0.116 0.000 2.179 48 I HA -0.159 4.010 4.170 -0.001 0.000 0.242 48 I C 2.662 178.828 176.117 0.081 0.000 1.088 48 I CA 0.908 62.332 61.300 0.207 0.000 1.357 48 I CB -0.286 37.749 38.000 0.059 0.000 1.051 48 I HN 0.138 nan 8.210 nan 0.000 0.409 49 I N 0.706 121.276 120.570 -0.000 0.000 2.208 49 I HA -0.312 3.858 4.170 -0.001 0.000 0.245 49 I C 2.633 178.721 176.117 -0.048 0.000 1.097 49 I CA 1.555 62.836 61.300 -0.033 0.000 1.363 49 I CB -0.469 37.502 38.000 -0.047 0.000 1.051 49 I HN 0.322 nan 8.210 nan 0.000 0.413 50 E N 1.229 121.378 120.200 -0.084 0.000 2.209 50 E HA -0.211 4.139 4.350 -0.001 0.000 0.196 50 E C 1.273 177.773 176.600 -0.167 0.000 0.993 50 E CA 1.014 57.327 56.400 -0.145 0.000 0.819 50 E CB 0.261 29.831 29.700 -0.218 0.000 0.745 50 E HN 0.272 nan 8.360 nan 0.000 0.477 51 K N 0.173 120.505 120.400 -0.112 0.000 2.399 51 K HA 0.139 4.458 4.320 -0.001 0.000 0.204 51 K C 1.567 178.244 176.600 0.127 0.000 1.023 51 K CA -0.090 56.168 56.287 -0.049 0.000 1.127 51 K CB 0.398 32.837 32.500 -0.101 0.000 0.856 51 K HN 0.246 nan 8.250 nan 0.000 0.514 52 L N 0.686 121.942 121.223 0.055 0.000 2.191 52 L HA -0.179 4.160 4.340 -0.001 0.000 0.212 52 L C 1.415 178.306 176.870 0.034 0.000 1.103 52 L CA 1.098 55.959 54.840 0.034 0.000 0.769 52 L CB -0.195 41.858 42.059 -0.011 0.000 0.908 52 L HN 0.083 nan 8.230 nan 0.000 0.438 53 D N -0.961 119.465 120.400 0.043 0.000 2.183 53 D HA -0.201 4.438 4.640 -0.001 0.000 0.203 53 D C 1.863 178.226 176.300 0.104 0.000 0.969 53 D CA 0.982 55.010 54.000 0.047 0.000 0.842 53 D CB -0.055 40.763 40.800 0.030 0.000 0.957 53 D HN 0.322 nan 8.370 nan 0.000 0.484 54 Y N 1.680 121.997 120.300 0.028 0.000 2.145 54 Y HA -0.141 4.408 4.550 -0.001 0.000 0.286 54 Y C 2.086 178.072 175.900 0.144 0.000 1.145 54 Y CA 1.347 59.507 58.100 0.099 0.000 1.148 54 Y CB -0.487 38.052 38.460 0.132 0.000 0.981 54 Y HN -0.114 nan 8.280 nan 0.000 0.507 55 L N 0.060 121.248 121.223 -0.058 0.000 2.093 55 L HA -0.176 4.163 4.340 -0.001 0.000 0.208 55 L C 2.555 179.329 176.870 -0.159 0.000 1.085 55 L CA 1.266 55.951 54.840 -0.258 0.000 0.755 55 L CB -0.600 41.323 42.059 -0.226 0.000 0.904 55 L HN 0.082 nan 8.230 nan 0.000 0.435 56 K N 0.671 121.031 120.400 -0.066 0.000 2.148 56 K HA -0.068 4.252 4.320 -0.001 0.000 0.204 56 K C 2.067 178.659 176.600 -0.014 0.000 1.050 56 K CA 1.435 57.699 56.287 -0.037 0.000 0.942 56 K CB -0.238 32.251 32.500 -0.019 0.000 0.724 56 K HN 0.253 nan 8.250 nan 0.000 0.446 57 A N 0.759 123.587 122.820 0.013 0.000 1.930 57 A HA -0.121 4.199 4.320 -0.001 0.000 0.217 57 A C 2.095 179.715 177.584 0.060 0.000 1.175 57 A CA 1.093 53.174 52.037 0.072 0.000 0.627 57 A CB -0.440 18.648 19.000 0.147 0.000 0.815 57 A HN 0.277 nan 8.150 nan 0.000 0.443 58 L N -0.936 120.276 121.223 -0.018 0.000 2.131 58 L HA 0.126 4.465 4.340 -0.001 0.000 0.210 58 L C 1.618 178.419 176.870 -0.115 0.000 1.092 58 L CA 2.309 57.032 54.840 -0.194 0.000 0.759 58 L CB -0.373 41.494 42.059 -0.320 0.000 0.903 58 L HN 0.788 nan 8.230 nan 0.000 0.435 59 G N -1.655 107.118 108.800 -0.045 0.000 2.175 59 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.182 59 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.182 59 G C 0.120 175.077 174.900 0.095 0.000 1.003 59 G CA -0.066 45.060 45.100 0.043 0.000 0.666 59 G HN 0.154 nan 8.290 nan 0.000 0.506 60 I N 1.981 122.560 120.570 0.015 0.000 2.752 60 I HA 0.123 4.293 4.170 -0.001 0.000 0.289 60 I C 0.977 177.103 176.117 0.015 0.000 1.197 60 I CA 0.109 61.425 61.300 0.027 0.000 1.432 60 I CB 0.592 38.561 38.000 -0.052 0.000 1.359 60 I HN 0.126 nan 8.210 nan 0.000 0.571 61 D N 4.462 124.874 120.400 0.021 0.000 2.338 61 D HA 0.227 4.867 4.640 -0.001 0.000 0.208 61 D C 0.492 176.703 176.300 -0.149 0.000 0.997 61 D CA 0.653 54.632 54.000 -0.035 0.000 0.880 61 D CB 0.918 41.745 40.800 0.045 0.000 0.980 61 D HN 0.621 nan 8.370 nan 0.000 0.509 62 A N 0.337 123.010 122.820 -0.246 0.000 2.594 62 A HA 0.645 4.965 4.320 -0.001 0.000 0.295 62 A C -1.403 176.098 177.584 -0.139 0.000 1.071 62 A CA -0.577 51.262 52.037 -0.331 0.000 0.685 62 A CB 1.427 19.950 19.000 -0.796 0.000 1.285 62 A HN -0.002 nan 8.150 nan 0.000 0.405 63 I N 1.089 121.676 120.570 0.029 0.000 2.433 63 I HA 0.408 4.578 4.170 -0.001 0.000 0.292 63 I C -1.044 175.301 176.117 0.379 0.000 1.001 63 I CA -0.321 61.095 61.300 0.195 0.000 1.119 63 I CB 1.820 39.862 38.000 0.070 0.000 1.289 63 I HN 0.798 nan 8.210 nan 0.000 0.438 64 W N 9.414 130.916 121.300 0.337 0.000 2.376 64 W HA 0.682 5.342 4.660 -0.001 0.000 0.312 64 W C -1.136 175.494 176.519 0.185 0.000 1.060 64 W CA -1.575 55.974 57.345 0.340 0.000 1.221 64 W CB 0.726 30.507 29.460 0.535 0.000 1.281 64 W HN 0.327 nan 8.180 nan 0.000 0.456 65 I N 3.414 124.016 120.570 0.053 0.000 2.460 65 I HA 0.530 4.699 4.170 -0.001 0.000 0.298 65 I C 0.064 176.027 176.117 -0.256 0.000 0.989 65 I CA -0.985 60.174 61.300 -0.236 0.000 1.173 65 I CB 1.440 39.359 38.000 -0.134 0.000 1.338 65 I HN 0.415 nan 8.210 nan 0.000 0.456 66 N N 4.741 123.203 118.700 -0.397 0.000 2.288 66 N HA 0.249 4.989 4.740 -0.001 0.000 0.237 66 N C -2.553 172.868 175.510 -0.148 0.000 1.311 66 N CA -0.695 52.206 53.050 -0.249 0.000 0.909 66 N CB -0.088 38.199 38.487 -0.333 0.000 1.167 66 N HN 0.497 nan 8.380 nan 0.000 0.476 67 P HA -0.118 nan 4.420 nan 0.000 0.257 67 P C -0.396 176.821 177.300 -0.139 0.000 1.162 67 P CA 0.863 63.848 63.100 -0.192 0.000 0.762 67 P CB 0.063 31.529 31.700 -0.389 0.000 0.753 68 H N 1.913 120.707 119.070 -0.461 0.000 2.672 68 H HA 0.152 4.707 4.556 -0.001 0.000 0.277 68 H C -0.228 174.829 175.328 -0.451 0.000 1.074 68 H CA -0.247 55.630 56.048 -0.286 0.000 1.173 68 H CB -0.419 29.143 29.762 -0.333 0.000 1.558 68 H HN 0.307 nan 8.280 nan 0.000 0.539 69 Y N 1.409 121.351 120.300 -0.597 0.000 2.316 69 Y HA 0.211 4.761 4.550 -0.001 0.000 0.324 69 Y C 0.740 176.427 175.900 -0.355 0.000 1.267 69 Y CA -1.231 56.584 58.100 -0.476 0.000 1.311 69 Y CB 0.335 38.483 38.460 -0.521 0.000 1.267 69 Y HN 0.022 nan 8.280 nan 0.000 0.516 70 D N 0.955 121.291 120.400 -0.106 0.000 2.520 70 D HA 0.179 4.818 4.640 -0.001 0.000 0.243 70 D C -0.570 175.615 176.300 -0.193 0.000 1.160 70 D CA 0.826 54.731 54.000 -0.158 0.000 0.877 70 D CB 0.349 41.078 40.800 -0.118 0.000 1.150 70 D HN 0.527 nan 8.370 nan 0.000 0.494 71 S N 3.025 118.599 115.700 -0.208 0.000 2.533 71 S HA 0.497 4.967 4.470 -0.001 0.000 0.271 71 S C -2.408 172.097 174.600 -0.159 0.000 1.143 71 S CA -1.225 56.863 58.200 -0.187 0.000 0.891 71 S CB 1.861 64.945 63.200 -0.194 0.000 1.105 71 S HN 0.227 nan 8.310 nan 0.000 0.468 72 P HA 0.191 nan 4.420 nan 0.000 0.233 72 P C -0.216 177.035 177.300 -0.082 0.000 1.167 72 P CA 0.399 63.445 63.100 -0.090 0.000 0.770 72 P CB -0.131 31.528 31.700 -0.068 0.000 0.837 73 N N -2.101 116.545 118.700 -0.090 0.000 2.754 73 N HA -0.132 4.607 4.740 -0.001 0.000 0.248 73 N C 0.547 176.042 175.510 -0.026 0.000 1.093 73 N CA 1.143 54.148 53.050 -0.075 0.000 0.699 73 N CB -2.049 36.362 38.487 -0.125 0.000 1.016 73 N HN 0.148 nan 8.380 nan 0.000 0.552 74 T N -0.735 113.818 114.554 -0.001 0.000 2.867 74 T HA -0.129 4.221 4.350 -0.001 0.000 0.268 74 T C 0.952 175.679 174.700 0.045 0.000 1.057 74 T CA 1.421 63.532 62.100 0.018 0.000 1.136 74 T CB 0.044 68.929 68.868 0.028 0.000 0.874 74 T HN 0.253 nan 8.240 nan 0.000 0.466 75 D N 0.716 121.173 120.400 0.096 0.000 2.891 75 D HA 0.141 4.781 4.640 -0.001 0.000 0.332 75 D C -0.580 175.855 176.300 0.226 0.000 1.369 75 D CA -0.458 53.645 54.000 0.172 0.000 0.827 75 D CB -0.848 40.135 40.800 0.304 0.000 1.141 75 D HN -0.103 nan 8.370 nan 0.000 0.464 76 N N 0.808 119.570 118.700 0.103 0.000 2.678 76 N HA -0.198 4.542 4.740 -0.001 0.000 0.268 76 N C 1.137 176.672 175.510 0.042 0.000 1.010 76 N CA 1.618 54.693 53.050 0.042 0.000 0.784 76 N CB -1.078 37.475 38.487 0.110 0.000 0.905 76 N HN 0.610 nan 8.380 nan 0.000 0.552 77 G N -1.416 107.358 108.800 -0.043 0.000 2.254 77 G HA2 -0.378 3.582 3.960 -0.001 0.000 0.225 77 G HA3 -0.378 3.582 3.960 -0.001 0.000 0.225 77 G C 0.589 175.374 174.900 -0.191 0.000 1.003 77 G CA 0.195 45.199 45.100 -0.160 0.000 0.622 77 G HN 0.451 nan 8.290 nan 0.000 0.507 78 Y N 2.689 123.028 120.300 0.064 0.000 2.529 78 Y HA 0.257 4.807 4.550 -0.000 0.000 0.290 78 Y C 0.831 176.806 175.900 0.125 0.000 1.177 78 Y CA 0.721 58.888 58.100 0.111 0.000 1.305 78 Y CB 0.501 39.069 38.460 0.179 0.000 1.047 78 Y HN 0.406 nan 8.280 nan 0.000 0.522 79 D N 0.260 120.736 120.400 0.127 0.000 2.462 79 D HA 0.205 4.844 4.640 -0.001 0.000 0.249 79 D C -0.445 175.803 176.300 -0.087 0.000 1.117 79 D CA -0.149 53.897 54.000 0.076 0.000 0.900 79 D CB 0.587 41.427 40.800 0.067 0.000 1.039 79 D HN 0.150 nan 8.370 nan 0.000 0.516 80 I N 1.847 122.294 120.570 -0.205 0.000 2.396 80 I HA 0.142 4.312 4.170 -0.001 0.000 0.289 80 I C 1.903 177.789 176.117 -0.384 0.000 1.056 80 I CA -0.474 60.573 61.300 -0.422 0.000 1.365 80 I CB 1.537 38.991 38.000 -0.909 0.000 1.407 80 I HN 0.240 nan 8.210 nan 0.000 0.509 81 R N 3.639 123.959 120.500 -0.300 0.000 2.140 81 R HA 0.035 4.375 4.340 -0.001 0.000 0.213 81 R C -0.072 176.061 176.300 -0.277 0.000 1.059 81 R CA 0.865 56.823 56.100 -0.237 0.000 1.000 81 R CB 0.422 30.620 30.300 -0.170 0.000 0.910 81 R HN 0.626 nan 8.270 nan 0.000 0.455 82 D N -0.964 119.259 120.400 -0.294 0.000 2.616 82 D HA 0.057 4.697 4.640 -0.001 0.000 0.238 82 D C -0.515 175.675 176.300 -0.184 0.000 1.354 82 D CA -0.507 53.352 54.000 -0.236 0.000 0.970 82 D CB 0.757 41.464 40.800 -0.155 0.000 1.369 82 D HN 0.008 nan 8.370 nan 0.000 0.585 83 Y N 1.733 121.910 120.300 -0.205 0.000 2.497 83 Y HA 0.020 4.569 4.550 -0.001 0.000 0.292 83 Y C 2.048 178.091 175.900 0.239 0.000 1.137 83 Y CA 0.674 58.721 58.100 -0.088 0.000 1.285 83 Y CB 0.393 38.761 38.460 -0.154 0.000 0.991 83 Y HN 0.175 nan 8.280 nan 0.000 0.556 84 R N 0.489 121.049 120.500 0.101 0.000 2.393 84 R HA 0.166 4.506 4.340 -0.001 0.000 0.244 84 R C 0.050 176.379 176.300 0.048 0.000 0.920 84 R CA 0.042 56.037 56.100 -0.175 0.000 1.076 84 R CB 0.241 30.123 30.300 -0.696 0.000 1.119 84 R HN 0.170 nan 8.270 nan 0.000 0.524 85 K N 1.095 121.596 120.400 0.168 0.000 2.318 85 K HA 0.330 4.650 4.320 -0.001 0.000 0.249 85 K C -0.454 176.238 176.600 0.153 0.000 0.942 85 K CA -0.712 55.648 56.287 0.122 0.000 0.808 85 K CB 1.512 34.019 32.500 0.010 0.000 1.189 85 K HN -0.205 nan 8.250 nan 0.000 0.428 86 I N 3.828 124.475 120.570 0.129 0.000 2.575 86 I HA 0.085 4.255 4.170 -0.001 0.000 0.285 86 I C 0.852 176.951 176.117 -0.031 0.000 1.085 86 I CA -0.142 61.206 61.300 0.081 0.000 1.403 86 I CB 0.930 39.013 38.000 0.139 0.000 1.409 86 I HN 0.830 nan 8.210 nan 0.000 0.557 87 M N 5.754 125.270 119.600 -0.140 0.000 2.284 87 M HA -0.035 4.445 4.480 -0.001 0.000 0.351 87 M C 1.553 177.724 176.300 -0.215 0.000 1.443 87 M CA 0.248 55.369 55.300 -0.298 0.000 1.031 87 M CB 0.604 32.784 32.600 -0.700 0.000 1.893 87 M HN 0.814 nan 8.290 nan 0.000 0.456 88 K N 4.167 124.467 120.400 -0.166 0.000 2.052 88 K HA -0.247 4.073 4.320 -0.001 0.000 0.215 88 K C 1.288 177.844 176.600 -0.073 0.000 1.053 88 K CA 2.690 58.920 56.287 -0.095 0.000 0.934 88 K CB -1.344 31.103 32.500 -0.088 0.000 0.717 88 K HN 0.882 nan 8.250 nan 0.000 0.450 89 E N -0.793 119.326 120.200 -0.134 0.000 2.267 89 E HA -0.094 4.256 4.350 -0.001 0.000 0.197 89 E C 1.833 178.529 176.600 0.160 0.000 0.998 89 E CA 1.190 57.568 56.400 -0.036 0.000 0.830 89 E CB -0.201 29.446 29.700 -0.089 0.000 0.751 89 E HN 0.771 nan 8.360 nan 0.000 0.491 90 Y N -0.880 119.398 120.300 -0.037 0.000 2.490 90 Y HA 0.374 4.923 4.550 -0.001 0.000 0.285 90 Y C 1.449 177.354 175.900 0.009 0.000 1.117 90 Y CA 0.582 58.671 58.100 -0.019 0.000 1.262 90 Y CB 0.101 38.545 38.460 -0.027 0.000 1.043 90 Y HN 0.039 nan 8.280 nan 0.000 0.553 91 G N -0.427 108.470 108.800 0.162 0.000 2.250 91 G HA2 0.123 4.082 3.960 -0.001 0.000 0.252 91 G HA3 0.123 4.082 3.960 -0.001 0.000 0.252 91 G C -0.532 174.431 174.900 0.104 0.000 1.325 91 G CA -0.448 44.720 45.100 0.114 0.000 1.091 91 G HN 0.237 nan 8.290 nan 0.000 0.476 92 T N -2.686 111.934 114.554 0.110 0.000 2.938 92 T HA 0.556 4.905 4.350 -0.001 0.000 0.285 92 T C 1.386 176.185 174.700 0.165 0.000 1.028 92 T CA 0.407 62.573 62.100 0.110 0.000 1.005 92 T CB 1.710 70.626 68.868 0.080 0.000 1.157 92 T HN 0.925 nan 8.240 nan 0.000 0.550 93 M N 0.242 119.937 119.600 0.157 0.000 2.279 93 M HA 0.069 4.548 4.480 -0.001 0.000 0.264 93 M C 1.919 178.347 176.300 0.213 0.000 1.062 93 M CA 1.540 56.965 55.300 0.207 0.000 1.099 93 M CB -1.157 31.532 32.600 0.147 0.000 1.394 93 M HN 0.818 nan 8.290 nan 0.000 0.426 94 E N 0.440 120.723 120.200 0.137 0.000 2.051 94 E HA -0.182 4.168 4.350 -0.001 0.000 0.192 94 E C 1.598 178.258 176.600 0.100 0.000 0.991 94 E CA 1.767 58.227 56.400 0.099 0.000 0.799 94 E CB -0.264 29.474 29.700 0.063 0.000 0.748 94 E HN 0.512 nan 8.360 nan 0.000 0.449 95 D N -0.629 119.839 120.400 0.113 0.000 2.117 95 D HA -0.166 4.473 4.640 -0.001 0.000 0.197 95 D C 1.728 178.094 176.300 0.109 0.000 0.987 95 D CA 0.710 54.764 54.000 0.090 0.000 0.829 95 D CB -0.411 40.447 40.800 0.096 0.000 0.961 95 D HN 0.179 nan 8.370 nan 0.000 0.460 96 F N 1.915 121.890 119.950 0.041 0.000 2.102 96 F HA -0.172 4.355 4.527 -0.001 0.000 0.298 96 F C 1.787 177.601 175.800 0.023 0.000 1.105 96 F CA 1.375 59.395 58.000 0.033 0.000 1.239 96 F CB 0.023 39.095 39.000 0.120 0.000 0.991 96 F HN -0.187 nan 8.300 nan 0.000 0.474 97 D N -0.197 120.267 120.400 0.107 0.000 2.178 97 D HA -0.164 4.476 4.640 -0.001 0.000 0.202 97 D C 2.352 178.599 176.300 -0.089 0.000 0.974 97 D CA 0.871 54.864 54.000 -0.013 0.000 0.841 97 D CB -0.409 40.431 40.800 0.066 0.000 0.953 97 D HN 0.324 nan 8.370 nan 0.000 0.478 98 R N 0.344 120.811 120.500 -0.054 0.000 2.092 98 R HA -0.111 4.229 4.340 -0.001 0.000 0.231 98 R C 2.329 178.562 176.300 -0.111 0.000 1.119 98 R CA 0.573 56.635 56.100 -0.063 0.000 0.970 98 R CB -0.278 30.003 30.300 -0.032 0.000 0.864 98 R HN 0.098 nan 8.270 nan 0.000 0.440 99 L N 1.144 122.271 121.223 -0.159 0.000 2.017 99 L HA -0.149 4.191 4.340 -0.001 0.000 0.208 99 L C 1.976 178.705 176.870 -0.235 0.000 1.073 99 L CA 1.725 56.447 54.840 -0.197 0.000 0.745 99 L CB -0.352 41.556 42.059 -0.253 0.000 0.894 99 L HN 0.207 nan 8.230 nan 0.000 0.432 100 I N -1.040 119.331 120.570 -0.330 0.000 2.208 100 I HA -0.317 3.853 4.170 -0.001 0.000 0.245 100 I C 2.675 178.696 176.117 -0.160 0.000 1.097 100 I CA 1.654 62.792 61.300 -0.269 0.000 1.363 100 I CB -0.539 37.283 38.000 -0.295 0.000 1.051 100 I HN 0.430 nan 8.210 nan 0.000 0.413 101 S N 0.327 115.950 115.700 -0.130 0.000 2.368 101 S HA -0.171 4.298 4.470 -0.001 0.000 0.224 101 S C 1.954 176.504 174.600 -0.082 0.000 1.029 101 S CA 1.202 59.349 58.200 -0.088 0.000 0.988 101 S CB -0.131 63.029 63.200 -0.067 0.000 0.838 101 S HN 0.320 nan 8.310 nan 0.000 0.462 102 E N 0.863 121.011 120.200 -0.085 0.000 2.150 102 E HA -0.054 4.296 4.350 -0.001 0.000 0.193 102 E C 2.016 178.570 176.600 -0.077 0.000 0.985 102 E CA 0.898 57.255 56.400 -0.072 0.000 0.814 102 E CB -0.323 29.336 29.700 -0.068 0.000 0.752 102 E HN 0.617 nan 8.360 nan 0.000 0.466 103 M N 0.152 119.695 119.600 -0.095 0.000 2.123 103 M HA -0.125 4.355 4.480 -0.001 0.000 0.263 103 M C 2.386 178.628 176.300 -0.096 0.000 1.069 103 M CA 1.220 56.462 55.300 -0.097 0.000 1.133 103 M CB -0.217 32.315 32.600 -0.114 0.000 1.356 103 M HN -0.089 nan 8.290 nan 0.000 0.415 104 K N 0.911 121.253 120.400 -0.097 0.000 2.074 104 K HA -0.195 4.125 4.320 -0.001 0.000 0.209 104 K C 1.816 178.369 176.600 -0.079 0.000 1.048 104 K CA 1.526 57.758 56.287 -0.093 0.000 0.926 104 K CB 0.023 32.473 32.500 -0.082 0.000 0.713 104 K HN 0.211 nan 8.250 nan 0.000 0.444 105 K N 0.093 120.452 120.400 -0.069 0.000 2.103 105 K HA -0.143 4.177 4.320 -0.001 0.000 0.207 105 K C 1.700 178.265 176.600 -0.058 0.000 1.048 105 K CA 1.403 57.655 56.287 -0.057 0.000 0.930 105 K CB -0.032 32.438 32.500 -0.051 0.000 0.716 105 K HN 0.198 nan 8.250 nan 0.000 0.444 106 R N 0.858 121.319 120.500 -0.064 0.000 2.426 106 R HA 0.112 4.452 4.340 -0.001 0.000 0.263 106 R C -0.349 175.906 176.300 -0.076 0.000 0.961 106 R CA -0.109 55.953 56.100 -0.062 0.000 1.086 106 R CB 0.096 30.362 30.300 -0.056 0.000 1.186 106 R HN 0.197 nan 8.270 nan 0.000 0.537 107 N N 0.841 119.489 118.700 -0.088 0.000 2.740 107 N HA -0.194 4.546 4.740 -0.001 0.000 0.248 107 N C -0.760 174.674 175.510 -0.127 0.000 1.062 107 N CA 1.256 54.241 53.050 -0.108 0.000 0.704 107 N CB -1.081 37.347 38.487 -0.099 0.000 0.968 107 N HN 0.337 nan 8.380 nan 0.000 0.547 108 M N 0.241 119.765 119.600 -0.127 0.000 2.528 108 M HA 0.391 4.870 4.480 -0.001 0.000 0.321 108 M C 0.352 176.555 176.300 -0.161 0.000 1.153 108 M CA -0.430 54.789 55.300 -0.136 0.000 0.951 108 M CB 2.409 34.945 32.600 -0.106 0.000 1.705 108 M HN -0.112 nan 8.290 nan 0.000 0.451 109 R N 1.421 121.809 120.500 -0.186 0.000 2.514 109 R HA 0.663 5.002 4.340 -0.001 0.000 0.301 109 R C -1.365 174.904 176.300 -0.052 0.000 0.962 109 R CA -0.934 55.063 56.100 -0.172 0.000 0.882 109 R CB 1.874 31.970 30.300 -0.340 0.000 1.143 109 R HN 0.481 nan 8.270 nan 0.000 0.452 110 L N 3.312 124.533 121.223 -0.003 0.000 2.289 110 L HA 0.489 4.829 4.340 -0.001 0.000 0.285 110 L C -0.713 176.273 176.870 0.193 0.000 1.049 110 L CA -0.087 54.790 54.840 0.063 0.000 0.804 110 L CB 1.407 43.443 42.059 -0.039 0.000 1.195 110 L HN 0.663 nan 8.230 nan 0.000 0.428 111 M N 7.028 126.812 119.600 0.307 0.000 2.311 111 M HA 0.562 5.042 4.480 -0.001 0.000 0.325 111 M C -1.063 175.462 176.300 0.374 0.000 1.061 111 M CA -0.644 54.883 55.300 0.378 0.000 0.957 111 M CB 1.290 34.233 32.600 0.570 0.000 1.646 111 M HN 0.711 nan 8.290 nan 0.000 0.434 112 I N 0.157 120.883 120.570 0.259 0.000 2.863 112 I HA 0.581 4.750 4.170 -0.001 0.000 0.311 112 I C -0.794 175.459 176.117 0.227 0.000 1.026 112 I CA -0.878 60.581 61.300 0.264 0.000 1.077 112 I CB 1.744 39.849 38.000 0.175 0.000 1.262 112 I HN 0.518 nan 8.210 nan 0.000 0.461 113 D N 3.146 123.739 120.400 0.321 0.000 2.277 113 D HA 0.331 4.970 4.640 -0.001 0.000 0.249 113 D C -0.871 175.509 176.300 0.135 0.000 1.134 113 D CA -0.094 54.063 54.000 0.262 0.000 0.863 113 D CB 1.925 42.953 40.800 0.381 0.000 1.143 113 D HN 0.347 nan 8.370 nan 0.000 0.458 114 V N 4.666 124.550 119.914 -0.049 0.000 2.328 114 V HA 0.190 4.309 4.120 -0.001 0.000 0.278 114 V C 0.230 176.378 176.094 0.090 0.000 1.021 114 V CA -0.726 61.536 62.300 -0.065 0.000 0.838 114 V CB 1.598 33.207 31.823 -0.356 0.000 0.999 114 V HN 0.318 nan 8.190 nan 0.000 0.447 115 V N 7.382 127.347 119.914 0.085 0.000 2.239 115 V HA 0.345 4.465 4.120 -0.001 0.000 0.267 115 V C 0.661 176.843 176.094 0.147 0.000 1.056 115 V CA -0.064 62.297 62.300 0.101 0.000 0.830 115 V CB 0.638 32.461 31.823 -0.000 0.000 1.090 115 V HN 0.861 nan 8.190 nan 0.000 0.459 116 I N -0.002 120.706 120.570 0.229 0.000 3.947 116 I HA 0.394 4.563 4.170 -0.001 0.000 0.327 116 I C 1.276 177.537 176.117 0.240 0.000 1.519 116 I CA 0.039 61.476 61.300 0.228 0.000 1.122 116 I CB 0.109 38.246 38.000 0.229 0.000 1.146 116 I HN 0.453 nan 8.210 nan 0.000 0.442 117 N N 1.679 120.520 118.700 0.235 0.000 2.354 117 N HA -0.053 4.686 4.740 -0.001 0.000 0.179 117 N C 0.544 176.297 175.510 0.405 0.000 1.021 117 N CA 0.945 54.251 53.050 0.427 0.000 0.887 117 N CB 0.232 39.077 38.487 0.598 0.000 0.974 117 N HN 0.681 nan 8.380 nan 0.000 0.437 118 H N -3.908 115.389 119.070 0.379 0.000 2.960 118 H HA 0.433 4.988 4.556 -0.001 0.000 0.323 118 H C -1.080 174.436 175.328 0.314 0.000 1.326 118 H CA -0.579 55.676 56.048 0.346 0.000 1.124 118 H CB 0.814 30.768 29.762 0.320 0.000 1.853 118 H HN 0.058 nan 8.280 nan 0.000 0.536 119 T N -2.261 112.556 114.554 0.438 0.000 2.804 119 T HA 0.406 4.755 4.350 -0.001 0.000 0.290 119 T C -0.043 174.727 174.700 0.116 0.000 1.099 119 T CA -0.609 61.640 62.100 0.250 0.000 1.011 119 T CB 1.800 70.870 68.868 0.338 0.000 1.291 119 T HN 0.690 nan 8.240 nan 0.000 0.523 120 S N 0.050 115.736 115.700 -0.023 0.000 2.593 120 S HA 0.186 4.655 4.470 -0.001 0.000 0.269 120 S C 0.926 175.415 174.600 -0.184 0.000 1.334 120 S CA 0.075 58.223 58.200 -0.087 0.000 1.015 120 S CB 0.011 63.144 63.200 -0.112 0.000 0.912 120 S HN 0.842 nan 8.310 nan 0.000 0.541 121 D N 1.971 122.203 120.400 -0.279 0.000 2.363 121 D HA -0.034 4.605 4.640 -0.001 0.000 0.226 121 D C 0.973 177.234 176.300 -0.065 0.000 1.020 121 D CA 0.650 54.384 54.000 -0.443 0.000 0.892 121 D CB -0.176 40.326 40.800 -0.498 0.000 0.900 121 D HN 0.677 nan 8.370 nan 0.000 0.531 122 Q N -0.434 119.326 119.800 -0.066 0.000 2.282 122 Q HA 0.075 4.414 4.340 -0.001 0.000 0.206 122 Q C 0.347 176.316 176.000 -0.051 0.000 0.878 122 Q CA -0.430 55.352 55.803 -0.034 0.000 0.944 122 Q CB 0.399 29.102 28.738 -0.058 0.000 1.100 122 Q HN 0.210 nan 8.270 nan 0.000 0.509 123 N N 1.895 120.564 118.700 -0.051 0.000 2.458 123 N HA -0.110 4.629 4.740 -0.001 0.000 0.258 123 N C 0.757 176.228 175.510 -0.065 0.000 1.219 123 N CA 0.424 53.417 53.050 -0.095 0.000 0.902 123 N CB 1.059 39.520 38.487 -0.043 0.000 1.076 123 N HN 0.261 nan 8.380 nan 0.000 0.455 124 E N 3.585 123.667 120.200 -0.198 0.000 2.097 124 E HA -0.199 4.150 4.350 -0.001 0.000 0.196 124 E C 0.894 177.427 176.600 -0.111 0.000 1.000 124 E CA 1.511 57.800 56.400 -0.186 0.000 0.804 124 E CB -0.041 29.502 29.700 -0.262 0.000 0.740 124 E HN 0.666 nan 8.360 nan 0.000 0.454 125 W N -0.238 120.995 121.300 -0.111 0.000 2.363 125 W HA -0.154 4.506 4.660 -0.001 0.000 0.296 125 W C 2.176 178.774 176.519 0.131 0.000 1.212 125 W CA 0.465 57.717 57.345 -0.155 0.000 1.260 125 W CB -1.338 28.211 29.460 0.149 0.000 1.131 125 W HN 0.191 nan 8.180 nan 0.000 0.530 126 F N 0.268 120.362 119.950 0.241 0.000 2.234 126 F HA -0.117 4.409 4.527 -0.001 0.000 0.296 126 F C 2.229 177.986 175.800 -0.072 0.000 1.089 126 F CA 1.128 59.054 58.000 -0.124 0.000 1.343 126 F CB -0.650 38.057 39.000 -0.489 0.000 1.040 126 F HN -0.365 nan 8.300 nan 0.000 0.498 127 V N 0.742 120.664 119.914 0.013 0.000 2.332 127 V HA -0.354 3.765 4.120 -0.001 0.000 0.248 127 V C 2.302 178.314 176.094 -0.135 0.000 1.055 127 V CA 2.303 64.566 62.300 -0.062 0.000 1.038 127 V CB -0.623 31.174 31.823 -0.043 0.000 0.651 127 V HN 0.282 nan 8.190 nan 0.000 0.450 128 K N -0.388 119.933 120.400 -0.131 0.000 2.062 128 K HA -0.112 4.208 4.320 -0.001 0.000 0.205 128 K C 2.485 179.024 176.600 -0.101 0.000 1.051 128 K CA 1.418 57.628 56.287 -0.128 0.000 0.941 128 K CB -0.394 31.981 32.500 -0.208 0.000 0.719 128 K HN 0.370 nan 8.250 nan 0.000 0.440 129 S N 1.923 117.582 115.700 -0.067 0.000 2.370 129 S HA -0.185 4.285 4.470 -0.001 0.000 0.226 129 S C 1.867 176.316 174.600 -0.252 0.000 1.033 129 S CA 1.831 60.029 58.200 -0.004 0.000 1.011 129 S CB -0.096 63.260 63.200 0.259 0.000 0.852 129 S HN 0.393 nan 8.310 nan 0.000 0.457 130 K N 0.739 120.878 120.400 -0.435 0.000 2.418 130 K HA 0.095 4.415 4.320 -0.001 0.000 0.195 130 K C 1.956 178.343 176.600 -0.356 0.000 1.035 130 K CA 1.126 57.128 56.287 -0.475 0.000 1.003 130 K CB -0.292 31.983 32.500 -0.376 0.000 0.793 130 K HN 0.425 nan 8.250 nan 0.000 0.494 131 S N 0.553 116.101 115.700 -0.253 0.000 2.399 131 S HA -0.111 4.359 4.470 -0.001 0.000 0.231 131 S C 0.799 175.291 174.600 -0.181 0.000 1.022 131 S CA 0.525 58.620 58.200 -0.176 0.000 0.983 131 S CB -0.503 62.623 63.200 -0.123 0.000 0.803 131 S HN 0.509 nan 8.310 nan 0.000 0.480 132 S N -1.080 114.486 115.700 -0.223 0.000 2.580 132 S HA 0.446 4.915 4.470 -0.001 0.000 0.281 132 S C -0.344 174.116 174.600 -0.234 0.000 1.129 132 S CA -1.060 57.020 58.200 -0.200 0.000 0.862 132 S CB 1.159 64.284 63.200 -0.124 0.000 1.090 132 S HN 0.107 nan 8.310 nan 0.000 0.451 133 K N 0.498 120.768 120.400 -0.217 0.000 2.360 133 K HA -0.095 4.224 4.320 -0.001 0.000 0.201 133 K C 0.566 177.095 176.600 -0.119 0.000 1.046 133 K CA 1.735 57.904 56.287 -0.196 0.000 0.940 133 K CB -0.284 32.138 32.500 -0.130 0.000 0.748 133 K HN 0.761 nan 8.250 nan 0.000 0.465 134 D N -0.946 119.396 120.400 -0.097 0.000 2.440 134 D HA -0.056 4.584 4.640 -0.001 0.000 0.216 134 D C 0.030 176.297 176.300 -0.054 0.000 1.150 134 D CA -0.316 53.647 54.000 -0.062 0.000 0.832 134 D CB -0.371 40.399 40.800 -0.050 0.000 0.992 134 D HN -0.071 nan 8.370 nan 0.000 0.502 135 N N 1.640 120.302 118.700 -0.063 0.000 2.492 135 N HA 0.022 4.762 4.740 -0.001 0.000 0.260 135 N C -1.564 173.939 175.510 -0.013 0.000 1.215 135 N CA -0.995 52.038 53.050 -0.029 0.000 0.923 135 N CB 1.725 40.194 38.487 -0.029 0.000 1.092 135 N HN -0.204 nan 8.380 nan 0.000 0.448 136 P HA -0.115 nan 4.420 nan 0.000 0.217 136 P C 0.065 177.228 177.300 -0.229 0.000 1.148 136 P CA 1.478 64.498 63.100 -0.133 0.000 0.828 136 P CB -0.017 31.570 31.700 -0.188 0.000 0.783 137 Y N -1.891 118.320 120.300 -0.148 0.000 2.470 137 Y HA 0.169 4.719 4.550 -0.001 0.000 0.284 137 Y C 2.234 178.167 175.900 0.055 0.000 1.188 137 Y CA -0.199 57.773 58.100 -0.213 0.000 1.269 137 Y CB -0.320 37.916 38.460 -0.374 0.000 1.094 137 Y HN -0.230 nan 8.280 nan 0.000 0.518 138 R N 0.919 121.513 120.500 0.156 0.000 2.081 138 R HA -0.081 4.259 4.340 -0.001 0.000 0.235 138 R C 2.234 178.740 176.300 0.344 0.000 1.131 138 R CA 1.613 57.820 56.100 0.179 0.000 0.960 138 R CB -0.919 29.386 30.300 0.008 0.000 0.856 138 R HN 0.333 nan 8.270 nan 0.000 0.436 139 G N -1.725 107.208 108.800 0.221 0.000 2.848 139 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.208 139 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.208 139 G C 0.490 175.423 174.900 0.055 0.000 1.152 139 G CA 0.021 45.208 45.100 0.145 0.000 0.789 139 G HN 0.317 nan 8.290 nan 0.000 0.531 140 Y N -0.627 119.623 120.300 -0.083 0.000 2.561 140 Y HA 0.271 4.821 4.550 -0.001 0.000 0.291 140 Y C 0.416 175.904 175.900 -0.686 0.000 1.141 140 Y CA -0.335 57.537 58.100 -0.379 0.000 1.303 140 Y CB -0.018 38.274 38.460 -0.280 0.000 1.015 140 Y HN 0.224 nan 8.280 nan 0.000 0.547 141 Y N -2.933 117.430 120.300 0.105 0.000 2.805 141 Y HA 0.459 5.008 4.550 -0.001 0.000 0.323 141 Y C -1.209 174.581 175.900 -0.183 0.000 1.279 141 Y CA -2.081 56.006 58.100 -0.022 0.000 1.103 141 Y CB 0.654 39.242 38.460 0.213 0.000 1.324 141 Y HN -0.409 nan 8.280 nan 0.000 0.498 142 F N 0.707 120.810 119.950 0.256 0.000 2.361 142 F HA 0.364 4.891 4.527 -0.000 0.000 0.364 142 F C -1.161 174.773 175.800 0.223 0.000 1.117 142 F CA -0.888 57.291 58.000 0.299 0.000 1.071 142 F CB 0.467 39.662 39.000 0.325 0.000 1.188 142 F HN 0.211 nan 8.300 nan 0.000 0.464 143 W N 3.333 125.000 121.300 0.612 0.000 2.573 143 W HA 0.704 5.364 4.660 -0.001 0.000 0.326 143 W C -0.362 176.407 176.519 0.418 0.000 1.049 143 W CA -0.896 56.756 57.345 0.513 0.000 1.220 143 W CB 1.891 31.557 29.460 0.344 0.000 1.373 143 W HN 0.249 nan 8.180 nan 0.000 0.507 144 K N 1.570 122.307 120.400 0.562 0.000 2.527 144 K HA 0.251 4.571 4.320 -0.001 0.000 0.260 144 K C -1.147 175.569 176.600 0.193 0.000 0.937 144 K CA -0.710 55.727 56.287 0.251 0.000 0.826 144 K CB 1.520 33.980 32.500 -0.067 0.000 1.359 144 K HN 0.272 nan 8.250 nan 0.000 0.434 145 D N 1.628 122.096 120.400 0.114 0.000 2.362 145 D HA 0.190 4.830 4.640 -0.001 0.000 0.242 145 D C -0.040 176.274 176.300 0.022 0.000 1.132 145 D CA 0.154 54.220 54.000 0.110 0.000 0.907 145 D CB 1.154 41.991 40.800 0.061 0.000 1.195 145 D HN 0.652 nan 8.370 nan 0.000 0.429 146 A N 2.050 124.944 122.820 0.124 0.000 2.448 146 A HA 0.111 4.431 4.320 -0.001 0.000 0.239 146 A C 0.453 177.969 177.584 -0.114 0.000 1.080 146 A CA 0.177 52.212 52.037 -0.003 0.000 0.779 146 A CB 0.339 19.468 19.000 0.216 0.000 1.026 146 A HN 0.271 nan 8.150 nan 0.000 0.499 147 K N 1.385 121.665 120.400 -0.200 0.000 2.464 147 K HA 0.469 4.788 4.320 -0.001 0.000 0.252 147 K C 0.291 176.828 176.600 -0.105 0.000 1.000 147 K CA 0.782 56.975 56.287 -0.157 0.000 0.951 147 K CB 0.554 32.924 32.500 -0.217 0.000 1.183 147 K HN 1.351 nan 8.250 nan 0.000 0.445 148 E N 1.649 121.814 120.200 -0.058 0.000 2.271 148 E HA -0.200 4.149 4.350 -0.001 0.000 0.223 148 E C 0.722 177.309 176.600 -0.021 0.000 1.223 148 E CA 1.476 57.855 56.400 -0.035 0.000 0.704 148 E CB -2.599 27.076 29.700 -0.042 0.000 1.194 148 E HN 1.090 nan 8.360 nan 0.000 0.375 149 G N -1.564 107.238 108.800 0.002 0.000 2.175 149 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.265 149 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.265 149 G C 0.474 175.406 174.900 0.053 0.000 0.979 149 G CA 1.209 46.334 45.100 0.041 0.000 0.663 149 G HN 1.185 nan 8.290 nan 0.000 0.533 150 Q N -0.654 119.129 119.800 -0.029 0.000 2.712 150 Q HA 0.794 5.134 4.340 -0.001 0.000 0.267 150 Q C 0.661 176.427 176.000 -0.390 0.000 1.062 150 Q CA -0.090 55.654 55.803 -0.098 0.000 0.888 150 Q CB 1.016 29.684 28.738 -0.116 0.000 1.374 150 Q HN 0.776 nan 8.270 nan 0.000 0.498 151 A N 1.060 123.562 122.820 -0.531 0.000 2.466 151 A HA 0.244 4.564 4.320 -0.001 0.000 0.238 151 A C -1.500 175.536 177.584 -0.913 0.000 1.074 151 A CA -0.713 50.704 52.037 -1.034 0.000 0.774 151 A CB -0.552 18.146 19.000 -0.504 0.000 1.015 151 A HN 0.441 nan 8.150 nan 0.000 0.498 152 P HA -0.117 nan 4.420 nan 0.000 0.216 152 P C 0.084 176.959 177.300 -0.709 0.000 1.150 152 P CA 2.042 64.526 63.100 -1.027 0.000 0.843 152 P CB 0.029 30.773 31.700 -1.593 0.000 0.787 153 N N -2.852 115.429 118.700 -0.699 0.000 3.364 153 N HA 0.040 4.780 4.740 -0.001 0.000 0.294 153 N C -0.583 174.828 175.510 -0.165 0.000 1.562 153 N CA -0.782 52.058 53.050 -0.351 0.000 0.862 153 N CB -0.648 37.631 38.487 -0.347 0.000 1.691 153 N HN -0.261 nan 8.380 nan 0.000 0.572 154 N N -1.123 117.543 118.700 -0.058 0.000 2.362 154 N HA 0.052 4.792 4.740 -0.001 0.000 0.211 154 N C -0.807 174.774 175.510 0.118 0.000 1.170 154 N CA -0.246 52.812 53.050 0.014 0.000 0.828 154 N CB -0.606 37.879 38.487 -0.003 0.000 1.034 154 N HN 0.380 nan 8.380 nan 0.000 0.475 155 Y N 2.236 122.554 120.300 0.031 0.000 2.721 155 Y HA 0.171 4.721 4.550 -0.001 0.000 0.329 155 Y C -1.808 173.943 175.900 -0.249 0.000 1.211 155 Y CA -2.341 55.723 58.100 -0.060 0.000 1.512 155 Y CB -0.015 38.426 38.460 -0.031 0.000 1.249 155 Y HN 0.214 nan 8.280 nan 0.000 0.549 156 P HA 0.204 nan 4.420 nan 0.000 0.287 156 P C -0.725 176.177 177.300 -0.663 0.000 1.279 156 P CA -0.652 62.104 63.100 -0.572 0.000 0.867 156 P CB 2.129 33.297 31.700 -0.886 0.000 1.127 157 S N 0.397 115.844 115.700 -0.422 0.000 2.578 157 S HA 0.348 4.818 4.470 -0.001 0.000 0.283 157 S C 0.853 175.338 174.600 -0.191 0.000 1.195 157 S CA -0.539 57.462 58.200 -0.331 0.000 1.050 157 S CB -0.151 62.974 63.200 -0.124 0.000 1.012 157 S HN 0.205 nan 8.310 nan 0.000 0.511 158 F N 2.429 122.365 119.950 -0.023 0.000 2.269 158 F HA 0.114 4.640 4.527 -0.001 0.000 0.301 158 F C 1.122 177.065 175.800 0.239 0.000 1.082 158 F CA 0.769 58.826 58.000 0.094 0.000 1.360 158 F CB -0.165 38.689 39.000 -0.244 0.000 1.041 158 F HN 0.549 nan 8.300 nan 0.000 0.512 159 F N 0.304 120.362 119.950 0.180 0.000 2.639 159 F HA 0.528 5.054 4.527 -0.001 0.000 0.300 159 F C 0.980 176.802 175.800 0.037 0.000 1.109 159 F CA -0.484 57.559 58.000 0.073 0.000 1.335 159 F CB -0.416 38.675 39.000 0.152 0.000 1.014 159 F HN -0.080 nan 8.300 nan 0.000 0.537 160 G N -0.610 108.324 108.800 0.224 0.000 2.885 160 G HA2 0.462 4.421 3.960 -0.001 0.000 0.685 160 G HA3 0.462 4.421 3.960 -0.001 0.000 0.685 160 G C 0.114 175.090 174.900 0.126 0.000 1.216 160 G CA -0.394 44.810 45.100 0.174 0.000 0.790 160 G HN 0.913 nan 8.290 nan 0.000 0.631 161 G N 0.312 109.173 108.800 0.103 0.000 2.601 161 G HA2 0.205 4.165 3.960 -0.001 0.000 0.261 161 G HA3 0.205 4.165 3.960 -0.001 0.000 0.261 161 G C 0.901 175.793 174.900 -0.012 0.000 1.289 161 G CA 0.966 46.103 45.100 0.061 0.000 0.920 161 G HN 2.438 nan 8.290 nan 0.000 0.571 162 S N -0.210 115.490 115.700 0.001 0.000 2.585 162 S HA 0.553 5.023 4.470 -0.001 0.000 0.273 162 S C 1.463 175.947 174.600 -0.193 0.000 1.339 162 S CA 0.747 58.921 58.200 -0.043 0.000 1.028 162 S CB 1.130 64.359 63.200 0.049 0.000 0.906 162 S HN 2.148 nan 8.310 nan 0.000 0.528 163 A N 3.466 126.085 122.820 -0.334 0.000 2.307 163 A HA 0.298 4.618 4.320 -0.001 0.000 0.218 163 A C -0.347 176.633 177.584 -1.006 0.000 1.228 163 A CA -0.503 51.061 52.037 -0.788 0.000 0.857 163 A CB -0.251 18.409 19.000 -0.567 0.000 0.897 163 A HN 0.771 nan 8.150 nan 0.000 0.495 164 W N -0.751 120.331 121.300 -0.364 0.000 2.600 164 W HA 0.581 5.241 4.660 -0.001 0.000 0.325 164 W C -0.084 176.451 176.519 0.027 0.000 1.034 164 W CA -0.657 56.582 57.345 -0.176 0.000 1.226 164 W CB 1.287 30.643 29.460 -0.174 0.000 1.379 164 W HN 0.123 nan 8.180 nan 0.000 0.466 165 Q N 3.311 123.169 119.800 0.096 0.000 2.333 165 Q HA 0.359 4.698 4.340 -0.001 0.000 0.265 165 Q C -0.629 175.282 176.000 -0.148 0.000 0.989 165 Q CA -0.880 54.855 55.803 -0.113 0.000 0.842 165 Q CB 1.317 29.683 28.738 -0.620 0.000 1.262 165 Q HN 0.216 nan 8.270 nan 0.000 0.451 166 K N 2.629 122.913 120.400 -0.193 0.000 2.350 166 K HA 0.161 4.480 4.320 -0.001 0.000 0.279 166 K C -1.096 175.452 176.600 -0.086 0.000 1.027 166 K CA 0.050 56.031 56.287 -0.510 0.000 0.969 166 K CB 0.767 32.885 32.500 -0.636 0.000 0.954 166 K HN 0.687 nan 8.250 nan 0.000 0.474 167 D N 4.303 124.735 120.400 0.053 0.000 2.462 167 D HA 0.079 4.718 4.640 -0.001 0.000 0.245 167 D C -0.159 176.180 176.300 0.065 0.000 1.122 167 D CA -0.237 53.889 54.000 0.209 0.000 0.864 167 D CB 1.067 42.171 40.800 0.506 0.000 1.098 167 D HN 0.556 nan 8.370 nan 0.000 0.541 168 E N 2.797 123.013 120.200 0.026 0.000 2.268 168 E HA -0.161 4.188 4.350 -0.001 0.000 0.195 168 E C 1.532 178.128 176.600 -0.006 0.000 0.995 168 E CA 0.574 56.972 56.400 -0.003 0.000 0.836 168 E CB 0.247 29.945 29.700 -0.002 0.000 0.763 168 E HN 0.599 nan 8.360 nan 0.000 0.491 169 K N 0.625 121.023 120.400 -0.004 0.000 2.002 169 K HA -0.120 4.199 4.320 -0.001 0.000 0.209 169 K C 1.927 178.493 176.600 -0.058 0.000 1.048 169 K CA 1.994 58.262 56.287 -0.032 0.000 0.930 169 K CB -0.026 32.448 32.500 -0.044 0.000 0.714 169 K HN 0.171 nan 8.250 nan 0.000 0.438 170 T N -2.432 112.071 114.554 -0.085 0.000 3.086 170 T HA 0.065 4.414 4.350 -0.001 0.000 0.250 170 T C 0.386 175.057 174.700 -0.049 0.000 1.074 170 T CA 0.292 62.322 62.100 -0.117 0.000 0.988 170 T CB -0.359 68.345 68.868 -0.272 0.000 0.988 170 T HN 0.521 nan 8.240 nan 0.000 0.530 171 N N 1.169 119.862 118.700 -0.011 0.000 2.758 171 N HA -0.172 4.567 4.740 -0.001 0.000 0.248 171 N C -0.898 174.659 175.510 0.077 0.000 1.076 171 N CA 0.267 53.325 53.050 0.014 0.000 0.696 171 N CB -0.511 37.985 38.487 0.014 0.000 0.979 171 N HN 0.690 nan 8.380 nan 0.000 0.550 172 Q N -0.171 119.715 119.800 0.144 0.000 2.501 172 Q HA 0.372 4.711 4.340 -0.001 0.000 0.288 172 Q C -1.505 174.761 176.000 0.443 0.000 1.051 172 Q CA -0.656 55.351 55.803 0.340 0.000 0.788 172 Q CB 1.277 30.270 28.738 0.426 0.000 1.469 172 Q HN 0.201 nan 8.270 nan 0.000 0.416 173 Y N 0.353 120.890 120.300 0.396 0.000 2.420 173 Y HA 0.409 4.958 4.550 -0.001 0.000 0.334 173 Y C -0.451 175.737 175.900 0.481 0.000 1.094 173 Y CA -0.765 57.553 58.100 0.363 0.000 1.126 173 Y CB 0.951 39.527 38.460 0.194 0.000 1.217 173 Y HN 0.468 nan 8.280 nan 0.000 0.462 174 Y N 0.721 121.216 120.300 0.325 0.000 2.446 174 Y HA 0.708 5.258 4.550 -0.001 0.000 0.338 174 Y C -1.265 174.644 175.900 0.016 0.000 1.055 174 Y CA -1.975 56.049 58.100 -0.126 0.000 1.101 174 Y CB 0.775 38.717 38.460 -0.863 0.000 1.221 174 Y HN 0.504 nan 8.280 nan 0.000 0.460 175 L N 4.518 125.668 121.223 -0.122 0.000 2.349 175 L HA 0.431 4.771 4.340 -0.001 0.000 0.275 175 L C -0.882 175.861 176.870 -0.212 0.000 1.115 175 L CA -0.181 54.223 54.840 -0.726 0.000 0.820 175 L CB 0.072 41.495 42.059 -1.060 0.000 1.135 175 L HN 0.952 nan 8.230 nan 0.000 0.445 176 H N 2.539 121.379 119.070 -0.384 0.000 3.240 176 H HA 0.323 4.878 4.556 -0.001 0.000 0.326 176 H C -0.659 174.586 175.328 -0.138 0.000 1.015 176 H CA -0.684 55.270 56.048 -0.156 0.000 1.504 176 H CB -0.044 29.707 29.762 -0.019 0.000 1.754 176 H HN 0.475 nan 8.280 nan 0.000 0.505 177 Y N 2.193 122.364 120.300 -0.214 0.000 2.242 177 Y HA -0.034 4.515 4.550 -0.000 0.000 0.291 177 Y C 0.512 176.109 175.900 -0.506 0.000 1.137 177 Y CA 0.639 58.495 58.100 -0.406 0.000 1.181 177 Y CB -0.388 37.901 38.460 -0.285 0.000 0.989 177 Y HN 0.520 nan 8.280 nan 0.000 0.527 178 F N -1.443 118.580 119.950 0.122 0.000 2.773 178 F HA 0.563 5.090 4.527 -0.001 0.000 0.189 178 F C 1.232 177.110 175.800 0.129 0.000 1.212 178 F CA -0.761 57.129 58.000 -0.185 0.000 0.950 178 F CB -0.988 37.676 39.000 -0.560 0.000 2.157 178 F HN -0.279 nan 8.300 nan 0.000 0.590 179 A N 0.452 123.525 122.820 0.421 0.000 2.386 179 A HA 0.178 4.498 4.320 -0.001 0.000 0.246 179 A C 1.199 178.737 177.584 -0.077 0.000 1.089 179 A CA -0.073 52.161 52.037 0.327 0.000 0.790 179 A CB -0.023 19.170 19.000 0.323 0.000 1.042 179 A HN 0.737 nan 8.150 nan 0.000 0.497 180 K N -0.446 119.732 120.400 -0.370 0.000 2.283 180 K HA -0.128 4.192 4.320 -0.001 0.000 0.202 180 K C 0.731 177.177 176.600 -0.257 0.000 1.048 180 K CA 1.660 57.471 56.287 -0.794 0.000 0.948 180 K CB -0.112 32.093 32.500 -0.491 0.000 0.742 180 K HN 0.607 nan 8.250 nan 0.000 0.458 181 Q N 0.996 120.719 119.800 -0.129 0.000 2.415 181 Q HA 0.096 4.435 4.340 -0.001 0.000 0.206 181 Q C -0.279 175.657 176.000 -0.107 0.000 0.946 181 Q CA 0.497 56.238 55.803 -0.103 0.000 0.951 181 Q CB 0.727 29.440 28.738 -0.042 0.000 1.026 181 Q HN 0.393 nan 8.270 nan 0.000 0.510 182 Q N 1.260 121.016 119.800 -0.073 0.000 3.075 182 Q HA 0.238 4.577 4.340 -0.001 0.000 0.318 182 Q C -2.460 173.569 176.000 0.050 0.000 0.907 182 Q CA -1.815 53.985 55.803 -0.006 0.000 0.882 182 Q CB 1.309 30.017 28.738 -0.051 0.000 1.386 182 Q HN 0.103 nan 8.270 nan 0.000 0.408 183 P HA -0.024 nan 4.420 nan 0.000 0.268 183 P C -0.660 176.844 177.300 0.341 0.000 1.204 183 P CA 0.029 63.117 63.100 -0.019 0.000 0.768 183 P CB 0.952 32.139 31.700 -0.855 0.000 0.842 184 D N 2.088 122.709 120.400 0.369 0.000 2.345 184 D HA 0.217 4.857 4.640 -0.001 0.000 0.247 184 D C 0.426 177.006 176.300 0.467 0.000 1.108 184 D CA 0.062 54.313 54.000 0.419 0.000 0.894 184 D CB 0.263 41.175 40.800 0.185 0.000 1.203 184 D HN 0.249 nan 8.370 nan 0.000 0.430 185 L N 2.261 123.681 121.223 0.328 0.000 2.417 185 L HA 0.167 4.507 4.340 -0.001 0.000 0.268 185 L C 0.734 177.572 176.870 -0.055 0.000 1.158 185 L CA -0.446 54.369 54.840 -0.041 0.000 0.819 185 L CB 0.489 42.506 42.059 -0.070 0.000 1.112 185 L HN 0.340 nan 8.230 nan 0.000 0.458 186 N N 1.607 120.002 118.700 -0.507 0.000 2.807 186 N HA 0.013 4.753 4.740 -0.001 0.000 0.259 186 N C 0.402 175.687 175.510 -0.375 0.000 1.149 186 N CA -0.121 52.549 53.050 -0.634 0.000 1.042 186 N CB 0.155 38.117 38.487 -0.876 0.000 1.367 186 N HN 0.432 nan 8.380 nan 0.000 0.516 187 W N 1.139 122.292 121.300 -0.246 0.000 2.387 187 W HA -0.075 4.584 4.660 -0.000 0.000 0.272 187 W C 1.271 177.512 176.519 -0.465 0.000 1.224 187 W CA 0.447 57.540 57.345 -0.420 0.000 1.210 187 W CB 0.207 29.465 29.460 -0.337 0.000 1.125 187 W HN 0.458 nan 8.180 nan 0.000 0.572 188 D N -0.737 119.695 120.400 0.053 0.000 2.310 188 D HA -0.115 4.525 4.640 -0.001 0.000 0.212 188 D C 0.564 176.817 176.300 -0.078 0.000 0.965 188 D CA 0.923 54.991 54.000 0.114 0.000 0.879 188 D CB -0.424 40.515 40.800 0.231 0.000 0.921 188 D HN 0.022 nan 8.370 nan 0.000 0.510 189 N N 0.838 119.383 118.700 -0.259 0.000 2.408 189 N HA 0.056 4.795 4.740 -0.001 0.000 0.257 189 N C -1.906 173.341 175.510 -0.438 0.000 1.064 189 N CA -1.750 51.097 53.050 -0.338 0.000 0.952 189 N CB 1.906 40.113 38.487 -0.466 0.000 1.093 189 N HN -0.201 nan 8.380 nan 0.000 0.490 190 P HA -0.139 nan 4.420 nan 0.000 0.216 190 P C 0.782 177.830 177.300 -0.421 0.000 1.153 190 P CA 1.637 64.551 63.100 -0.309 0.000 0.858 190 P CB 0.364 31.961 31.700 -0.172 0.000 0.789 191 K N -0.646 119.498 120.400 -0.427 0.000 2.097 191 K HA -0.084 4.235 4.320 -0.001 0.000 0.206 191 K C 1.938 178.097 176.600 -0.735 0.000 1.049 191 K CA 1.204 57.215 56.287 -0.460 0.000 0.933 191 K CB -0.861 31.429 32.500 -0.349 0.000 0.717 191 K HN 0.045 nan 8.250 nan 0.000 0.442 192 V N 1.685 120.969 119.914 -1.049 0.000 2.295 192 V HA -0.260 3.860 4.120 -0.001 0.000 0.246 192 V C 2.275 177.680 176.094 -1.148 0.000 1.049 192 V CA 1.695 63.199 62.300 -1.327 0.000 1.024 192 V CB -0.524 30.498 31.823 -1.336 0.000 0.648 192 V HN 0.304 nan 8.190 nan 0.000 0.447 193 R N -0.327 119.491 120.500 -1.137 0.000 2.083 193 R HA -0.182 4.157 4.340 -0.001 0.000 0.237 193 R C 2.413 177.894 176.300 -1.364 0.000 1.137 193 R CA 1.425 56.682 56.100 -1.405 0.000 0.951 193 R CB -0.474 29.178 30.300 -1.080 0.000 0.851 193 R HN 0.490 nan 8.270 nan 0.000 0.434 194 Q N 0.785 120.101 119.800 -0.807 0.000 2.096 194 Q HA -0.160 4.179 4.340 -0.001 0.000 0.204 194 Q C 1.650 177.440 176.000 -0.350 0.000 0.982 194 Q CA 1.405 56.938 55.803 -0.451 0.000 0.850 194 Q CB -0.313 28.276 28.738 -0.250 0.000 0.901 194 Q HN 0.339 nan 8.270 nan 0.000 0.422 195 D N 0.131 120.280 120.400 -0.418 0.000 2.178 195 D HA -0.055 4.585 4.640 -0.001 0.000 0.202 195 D C 2.070 178.261 176.300 -0.182 0.000 0.974 195 D CA 0.508 54.364 54.000 -0.240 0.000 0.841 195 D CB 0.043 40.643 40.800 -0.334 0.000 0.953 195 D HN 0.209 nan 8.370 nan 0.000 0.478 196 L N -0.136 120.837 121.223 -0.416 0.000 2.109 196 L HA -0.169 4.170 4.340 -0.001 0.000 0.207 196 L C 2.345 179.185 176.870 -0.050 0.000 1.086 196 L CA 0.719 55.370 54.840 -0.313 0.000 0.760 196 L CB -0.390 41.319 42.059 -0.582 0.000 0.910 196 L HN 0.055 nan 8.230 nan 0.000 0.437 197 Y N 0.153 120.394 120.300 -0.099 0.000 2.224 197 Y HA -0.154 4.396 4.550 -0.001 0.000 0.289 197 Y C 2.678 178.606 175.900 0.046 0.000 1.146 197 Y CA 0.479 58.581 58.100 0.004 0.000 1.182 197 Y CB -1.277 37.176 38.460 -0.011 0.000 0.983 197 Y HN 0.112 nan 8.280 nan 0.000 0.524 198 A N -0.005 122.914 122.820 0.164 0.000 1.902 198 A HA -0.202 4.118 4.320 -0.001 0.000 0.217 198 A C 2.407 180.088 177.584 0.163 0.000 1.181 198 A CA 1.793 53.914 52.037 0.139 0.000 0.623 198 A CB -0.724 18.327 19.000 0.084 0.000 0.818 198 A HN 0.376 nan 8.150 nan 0.000 0.443 199 M N -0.139 119.539 119.600 0.130 0.000 2.159 199 M HA -0.069 4.411 4.480 -0.001 0.000 0.263 199 M C 1.890 178.387 176.300 0.329 0.000 1.063 199 M CA 1.642 57.036 55.300 0.157 0.000 1.110 199 M CB -0.834 31.765 32.600 -0.003 0.000 1.374 199 M HN 0.437 nan 8.290 nan 0.000 0.411 200 L N -0.384 121.010 121.223 0.284 0.000 2.093 200 L HA -0.203 4.137 4.340 -0.001 0.000 0.208 200 L C 2.573 179.602 176.870 0.264 0.000 1.085 200 L CA 1.094 56.126 54.840 0.320 0.000 0.755 200 L CB -0.600 41.634 42.059 0.291 0.000 0.904 200 L HN 0.318 nan 8.230 nan 0.000 0.435 201 R N -0.765 119.874 120.500 0.231 0.000 2.115 201 R HA -0.179 4.160 4.340 -0.001 0.000 0.230 201 R C 2.247 178.661 176.300 0.190 0.000 1.111 201 R CA 1.365 57.588 56.100 0.206 0.000 0.976 201 R CB -0.456 29.989 30.300 0.243 0.000 0.870 201 R HN 0.227 nan 8.270 nan 0.000 0.445 202 F N 0.032 120.005 119.950 0.039 0.000 2.134 202 F HA -0.210 4.316 4.527 -0.001 0.000 0.299 202 F C 1.444 177.136 175.800 -0.180 0.000 1.097 202 F CA 1.407 59.334 58.000 -0.121 0.000 1.264 202 F CB -0.166 38.677 39.000 -0.261 0.000 1.001 202 F HN -0.030 nan 8.300 nan 0.000 0.479 203 W N 0.125 121.510 121.300 0.141 0.000 2.494 203 W HA 0.058 4.718 4.660 -0.001 0.000 0.286 203 W C 2.207 178.737 176.519 0.019 0.000 1.218 203 W CA 0.546 57.931 57.345 0.066 0.000 1.313 203 W CB -0.433 29.177 29.460 0.252 0.000 1.105 203 W HN -0.066 nan 8.180 nan 0.000 0.561 204 L N 0.114 121.425 121.223 0.147 0.000 2.141 204 L HA -0.193 4.147 4.340 -0.001 0.000 0.209 204 L C 1.504 178.399 176.870 0.042 0.000 1.094 204 L CA 1.057 55.843 54.840 -0.091 0.000 0.763 204 L CB -0.610 41.006 42.059 -0.738 0.000 0.908 204 L HN -0.095 nan 8.230 nan 0.000 0.437 205 D N 0.082 120.537 120.400 0.091 0.000 2.371 205 D HA -0.103 4.537 4.640 -0.001 0.000 0.221 205 D C 1.665 177.994 176.300 0.048 0.000 0.986 205 D CA 0.849 54.931 54.000 0.136 0.000 0.899 205 D CB 0.056 40.911 40.800 0.090 0.000 0.902 205 D HN 0.311 nan 8.370 nan 0.000 0.530 206 K N -0.470 119.945 120.400 0.026 0.000 2.404 206 K HA 0.203 4.522 4.320 -0.001 0.000 0.194 206 K C 0.973 177.628 176.600 0.091 0.000 1.023 206 K CA 0.327 56.641 56.287 0.045 0.000 1.094 206 K CB 0.801 33.372 32.500 0.118 0.000 0.841 206 K HN 0.068 nan 8.250 nan 0.000 0.523 207 G N 1.318 110.185 108.800 0.111 0.000 2.130 207 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.216 207 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.216 207 G C 0.051 175.006 174.900 0.091 0.000 0.999 207 G CA -0.342 44.814 45.100 0.094 0.000 0.686 207 G HN 0.101 nan 8.290 nan 0.000 0.515 208 V N 0.931 120.931 119.914 0.144 0.000 2.655 208 V HA 0.320 4.440 4.120 -0.001 0.000 0.300 208 V C 1.601 177.783 176.094 0.147 0.000 1.044 208 V CA 1.185 63.578 62.300 0.155 0.000 1.095 208 V CB 1.579 33.547 31.823 0.241 0.000 0.952 208 V HN 0.364 nan 8.190 nan 0.000 0.485 209 S N 2.722 118.513 115.700 0.151 0.000 2.524 209 S HA 0.312 4.782 4.470 -0.001 0.000 0.216 209 S C 0.561 175.385 174.600 0.375 0.000 0.987 209 S CA 0.557 58.886 58.200 0.216 0.000 0.909 209 S CB 0.428 63.681 63.200 0.088 0.000 0.781 209 S HN 1.037 nan 8.310 nan 0.000 0.521 210 G N 0.445 109.433 108.800 0.313 0.000 2.677 210 G HA2 0.634 4.593 3.960 -0.001 0.000 0.291 210 G HA3 0.634 4.593 3.960 -0.001 0.000 0.291 210 G C -2.028 172.961 174.900 0.149 0.000 1.435 210 G CA -0.748 44.530 45.100 0.296 0.000 0.826 210 G HN 0.174 nan 8.290 nan 0.000 0.491 211 L N 0.902 122.138 121.223 0.023 0.000 2.410 211 L HA 0.636 4.975 4.340 -0.001 0.000 0.270 211 L C -0.205 176.432 176.870 -0.388 0.000 0.983 211 L CA -1.027 53.687 54.840 -0.210 0.000 0.822 211 L CB 2.432 44.285 42.059 -0.343 0.000 1.285 211 L HN 0.426 nan 8.230 nan 0.000 0.409 212 R N 3.105 123.300 120.500 -0.508 0.000 2.288 212 R HA 0.412 4.752 4.340 -0.001 0.000 0.326 212 R C -1.651 174.341 176.300 -0.514 0.000 0.959 212 R CA -0.515 55.195 56.100 -0.650 0.000 0.834 212 R CB 0.773 30.414 30.300 -1.097 0.000 1.157 212 R HN 0.366 nan 8.270 nan 0.000 0.470 213 F N 2.883 122.709 119.950 -0.207 0.000 2.413 213 F HA 0.124 4.650 4.527 -0.001 0.000 0.359 213 F C 0.905 176.688 175.800 -0.028 0.000 1.122 213 F CA -0.418 57.562 58.000 -0.033 0.000 1.160 213 F CB 0.757 39.766 39.000 0.015 0.000 1.146 213 F HN 0.467 nan 8.300 nan 0.000 0.514 214 D N 2.102 122.637 120.400 0.225 0.000 2.417 214 D HA -0.008 4.632 4.640 -0.001 0.000 0.250 214 D C 0.731 177.147 176.300 0.193 0.000 1.166 214 D CA 0.521 54.654 54.000 0.223 0.000 0.881 214 D CB 0.745 41.741 40.800 0.328 0.000 1.164 214 D HN 0.637 nan 8.370 nan 0.000 0.467 215 T N 2.818 117.452 114.554 0.133 0.000 3.398 215 T HA -0.221 4.128 4.350 -0.001 0.000 0.408 215 T C 1.076 175.770 174.700 -0.011 0.000 0.769 215 T CA 0.702 62.889 62.100 0.144 0.000 2.018 215 T CB -1.171 67.858 68.868 0.269 0.000 1.703 215 T HN 0.372 nan 8.240 nan 0.000 0.639 216 V N 1.773 121.574 119.914 -0.189 0.000 2.913 216 V HA 0.142 4.262 4.120 -0.001 0.000 0.260 216 V C 2.315 177.860 176.094 -0.916 0.000 1.098 216 V CA 2.411 64.307 62.300 -0.672 0.000 1.121 216 V CB -0.642 30.933 31.823 -0.412 0.000 0.714 216 V HN 0.940 nan 8.190 nan 0.000 0.487 217 A N -0.509 122.009 122.820 -0.504 0.000 2.251 217 A HA 0.092 4.412 4.320 -0.001 0.000 0.209 217 A C 1.856 179.371 177.584 -0.116 0.000 1.187 217 A CA 0.961 52.807 52.037 -0.319 0.000 0.823 217 A CB -0.450 18.387 19.000 -0.271 0.000 0.846 217 A HN 0.667 nan 8.150 nan 0.000 0.486 218 T N -4.608 109.912 114.554 -0.056 0.000 3.092 218 T HA 0.147 4.497 4.350 -0.001 0.000 0.258 218 T C 1.161 176.046 174.700 0.308 0.000 1.031 218 T CA -0.134 62.103 62.100 0.228 0.000 0.925 218 T CB -0.539 68.615 68.868 0.478 0.000 1.036 218 T HN 0.267 nan 8.240 nan 0.000 0.544 219 Y N 2.368 122.649 120.300 -0.031 0.000 2.224 219 Y HA 0.189 4.739 4.550 -0.001 0.000 0.289 219 Y C 1.762 177.687 175.900 0.041 0.000 1.146 219 Y CA -0.410 57.526 58.100 -0.272 0.000 1.182 219 Y CB -0.868 36.973 38.460 -1.031 0.000 0.983 219 Y HN 0.312 nan 8.280 nan 0.000 0.524 220 S N 1.043 116.914 115.700 0.284 0.000 2.430 220 S HA 0.355 4.825 4.470 -0.001 0.000 0.289 220 S C -0.118 174.629 174.600 0.246 0.000 1.143 220 S CA -0.746 57.648 58.200 0.324 0.000 1.067 220 S CB 0.126 63.425 63.200 0.164 0.000 0.964 220 S HN -0.016 nan 8.310 nan 0.000 0.485 221 K N 3.205 123.750 120.400 0.242 0.000 2.107 221 K HA 0.449 4.769 4.320 -0.001 0.000 0.251 221 K C -0.055 176.590 176.600 0.075 0.000 1.012 221 K CA -0.629 55.743 56.287 0.141 0.000 0.920 221 K CB 0.325 32.780 32.500 -0.075 0.000 1.033 221 K HN 0.533 nan 8.250 nan 0.000 0.478 222 I N 3.609 124.246 120.570 0.112 0.000 2.396 222 I HA 0.164 4.333 4.170 -0.001 0.000 0.289 222 I C -2.011 174.016 176.117 -0.149 0.000 1.056 222 I CA -2.677 58.663 61.300 0.067 0.000 1.365 222 I CB 0.345 38.484 38.000 0.233 0.000 1.407 222 I HN 0.290 nan 8.210 nan 0.000 0.509 223 P HA 0.010 nan 4.420 nan 0.000 0.261 223 P C 0.023 177.229 177.300 -0.158 0.000 1.173 223 P CA 0.536 63.547 63.100 -0.148 0.000 0.760 223 P CB 0.301 31.971 31.700 -0.050 0.000 0.783 224 D N 1.487 121.749 120.400 -0.230 0.000 3.046 224 D HA -0.209 4.430 4.640 -0.001 0.000 0.210 224 D C 0.004 176.305 176.300 0.001 0.000 1.124 224 D CA 0.595 54.533 54.000 -0.104 0.000 0.986 224 D CB -1.784 39.001 40.800 -0.025 0.000 1.118 224 D HN 0.378 nan 8.370 nan 0.000 0.416 225 F N -1.745 118.236 119.950 0.052 0.000 2.783 225 F HA -0.209 4.318 4.527 -0.001 0.000 0.222 225 F C -1.339 174.411 175.800 -0.083 0.000 1.028 225 F CA 0.360 58.358 58.000 -0.005 0.000 0.862 225 F CB -1.816 37.159 39.000 -0.043 0.000 0.744 225 F HN 0.092 nan 8.300 nan 0.000 0.850 226 P HA 0.032 nan 4.420 nan 0.000 0.271 226 P C 0.473 177.834 177.300 0.102 0.000 1.218 226 P CA -0.235 62.918 63.100 0.089 0.000 0.780 226 P CB 0.761 32.514 31.700 0.088 0.000 0.901 227 N N 1.153 119.879 118.700 0.043 0.000 2.329 227 N HA 0.030 4.770 4.740 -0.001 0.000 0.237 227 N C 0.182 175.774 175.510 0.136 0.000 1.258 227 N CA 0.274 53.360 53.050 0.060 0.000 0.866 227 N CB -0.000 38.495 38.487 0.013 0.000 1.102 227 N HN 0.370 nan 8.380 nan 0.000 0.440 228 L N 0.914 122.238 121.223 0.168 0.000 2.334 228 L HA 0.251 4.591 4.340 -0.001 0.000 0.277 228 L C 1.382 178.294 176.870 0.069 0.000 1.075 228 L CA -0.798 54.127 54.840 0.141 0.000 0.804 228 L CB 0.966 43.109 42.059 0.140 0.000 1.174 228 L HN 0.601 nan 8.230 nan 0.000 0.438 229 T N -1.458 113.126 114.554 0.050 0.000 2.748 229 T HA -0.016 4.334 4.350 -0.001 0.000 0.304 229 T C 0.779 175.491 174.700 0.020 0.000 1.041 229 T CA -0.392 61.725 62.100 0.029 0.000 1.033 229 T CB 0.988 69.868 68.868 0.021 0.000 0.995 229 T HN 0.560 nan 8.240 nan 0.000 0.536 230 Q N 0.059 119.866 119.800 0.012 0.000 2.096 230 Q HA -0.142 4.197 4.340 -0.001 0.000 0.204 230 Q C 2.334 178.340 176.000 0.010 0.000 0.982 230 Q CA 1.950 57.758 55.803 0.008 0.000 0.850 230 Q CB -0.601 28.140 28.738 0.005 0.000 0.901 230 Q HN 0.833 nan 8.270 nan 0.000 0.422 231 Q N -0.158 119.646 119.800 0.007 0.000 2.123 231 Q HA -0.099 4.241 4.340 -0.001 0.000 0.199 231 Q C 1.828 177.828 176.000 -0.000 0.000 0.966 231 Q CA 1.716 57.520 55.803 0.002 0.000 0.845 231 Q CB -0.044 28.693 28.738 -0.003 0.000 0.907 231 Q HN 0.528 nan 8.270 nan 0.000 0.439 232 Q N -0.815 118.987 119.800 0.003 0.000 2.167 232 Q HA -0.101 4.238 4.340 -0.001 0.000 0.202 232 Q C 1.542 177.551 176.000 0.016 0.000 0.970 232 Q CA 0.797 56.598 55.803 -0.003 0.000 0.855 232 Q CB -0.012 28.731 28.738 0.008 0.000 0.911 232 Q HN 0.262 nan 8.270 nan 0.000 0.438 233 L N 0.891 122.131 121.223 0.029 0.000 2.265 233 L HA -0.162 4.177 4.340 -0.001 0.000 0.215 233 L C 1.384 178.328 176.870 0.124 0.000 1.117 233 L CA 1.735 56.604 54.840 0.049 0.000 0.782 233 L CB -0.169 41.897 42.059 0.010 0.000 0.914 233 L HN 0.069 nan 8.230 nan 0.000 0.441 234 K N -1.065 119.375 120.400 0.067 0.000 2.444 234 K HA 0.093 4.413 4.320 -0.001 0.000 0.193 234 K C 0.609 177.206 176.600 -0.005 0.000 1.024 234 K CA 0.175 56.494 56.287 0.053 0.000 1.077 234 K CB 0.092 32.601 32.500 0.016 0.000 0.833 234 K HN 0.256 nan 8.250 nan 0.000 0.517 235 N N 0.242 118.917 118.700 -0.041 0.000 2.658 235 N HA -0.007 4.733 4.740 -0.001 0.000 0.238 235 N C 0.165 175.508 175.510 -0.278 0.000 1.495 235 N CA -0.043 52.887 53.050 -0.201 0.000 0.883 235 N CB 0.099 38.491 38.487 -0.159 0.000 1.463 235 N HN 0.004 nan 8.380 nan 0.000 0.531 236 F N -0.139 119.595 119.950 -0.360 0.000 2.325 236 F HA 0.317 4.844 4.527 -0.001 0.000 0.299 236 F C 2.128 177.410 175.800 -0.864 0.000 1.090 236 F CA 0.824 58.453 58.000 -0.618 0.000 1.392 236 F CB -0.487 38.053 39.000 -0.766 0.000 1.053 236 F HN 0.140 nan 8.300 nan 0.000 0.521 237 A N 1.480 123.642 122.820 -1.097 0.000 1.940 237 A HA -0.046 4.274 4.320 -0.001 0.000 0.219 237 A C 2.498 179.776 177.584 -0.510 0.000 1.176 237 A CA 1.949 53.538 52.037 -0.747 0.000 0.631 237 A CB -1.463 17.043 19.000 -0.824 0.000 0.814 237 A HN 0.551 nan 8.150 nan 0.000 0.446 238 A N -0.651 121.907 122.820 -0.437 0.000 1.978 238 A HA -0.143 4.176 4.320 -0.001 0.000 0.220 238 A C 1.910 179.390 177.584 -0.174 0.000 1.170 238 A CA 1.760 53.639 52.037 -0.263 0.000 0.636 238 A CB -0.328 18.544 19.000 -0.213 0.000 0.810 238 A HN 0.463 nan 8.150 nan 0.000 0.448 239 E N -0.836 119.237 120.200 -0.212 0.000 2.112 239 E HA -0.091 4.258 4.350 -0.001 0.000 0.190 239 E C 1.638 178.265 176.600 0.044 0.000 0.979 239 E CA 0.805 57.156 56.400 -0.083 0.000 0.814 239 E CB -0.444 29.208 29.700 -0.080 0.000 0.762 239 E HN 0.740 nan 8.360 nan 0.000 0.460 240 Y N 1.247 121.439 120.300 -0.179 0.000 2.421 240 Y HA -0.087 4.463 4.550 -0.000 0.000 0.292 240 Y C 2.348 178.221 175.900 -0.045 0.000 1.136 240 Y CA 1.322 59.316 58.100 -0.177 0.000 1.255 240 Y CB -1.197 37.001 38.460 -0.437 0.000 0.991 240 Y HN 0.067 nan 8.280 nan 0.000 0.552 241 T N -3.166 111.433 114.554 0.075 0.000 3.169 241 T HA 0.062 4.412 4.350 -0.001 0.000 0.250 241 T C 1.042 175.776 174.700 0.057 0.000 1.111 241 T CA 0.003 62.136 62.100 0.055 0.000 1.010 241 T CB -0.235 68.633 68.868 -0.001 0.000 0.984 241 T HN 0.158 nan 8.240 nan 0.000 0.537 242 K N 1.518 121.956 120.400 0.064 0.000 2.520 242 K HA 0.284 4.604 4.320 -0.001 0.000 0.205 242 K C 1.083 177.712 176.600 0.048 0.000 1.035 242 K CA -0.483 55.833 56.287 0.048 0.000 1.188 242 K CB 0.187 32.714 32.500 0.045 0.000 0.894 242 K HN 0.460 nan 8.250 nan 0.000 0.497 243 G N 2.975 111.810 108.800 0.058 0.000 2.305 243 G HA2 -0.033 3.927 3.960 -0.001 0.000 0.243 243 G HA3 -0.033 3.927 3.960 -0.001 0.000 0.243 243 G C -1.318 173.572 174.900 -0.016 0.000 1.288 243 G CA -0.885 44.245 45.100 0.050 0.000 0.901 243 G HN 0.057 nan 8.290 nan 0.000 0.516 244 P HA -0.030 nan 4.420 nan 0.000 0.239 244 P C 0.438 177.660 177.300 -0.130 0.000 1.184 244 P CA 0.658 63.726 63.100 -0.054 0.000 0.760 244 P CB 0.501 32.184 31.700 -0.029 0.000 0.884 245 N N -1.102 117.465 118.700 -0.221 0.000 2.184 245 N HA 0.062 4.802 4.740 -0.001 0.000 0.234 245 N C 1.248 176.382 175.510 -0.627 0.000 1.282 245 N CA -0.279 52.469 53.050 -0.503 0.000 0.877 245 N CB 0.174 38.179 38.487 -0.803 0.000 1.184 245 N HN 0.024 nan 8.380 nan 0.000 0.510 246 I N 1.652 122.020 120.570 -0.337 0.000 2.163 246 I HA -0.257 3.912 4.170 -0.001 0.000 0.243 246 I C 2.030 177.938 176.117 -0.349 0.000 1.085 246 I CA 1.948 63.077 61.300 -0.285 0.000 1.347 246 I CB -0.122 37.698 38.000 -0.300 0.000 1.044 246 I HN 0.177 nan 8.210 nan 0.000 0.408 247 H N -0.046 118.882 119.070 -0.236 0.000 2.428 247 H HA -0.035 4.520 4.556 -0.001 0.000 0.296 247 H C 2.302 177.547 175.328 -0.138 0.000 1.062 247 H CA 1.329 57.228 56.048 -0.249 0.000 1.350 247 H CB -0.312 29.247 29.762 -0.338 0.000 1.403 247 H HN 0.377 nan 8.280 nan 0.000 0.533 248 R N 0.398 120.852 120.500 -0.077 0.000 2.091 248 R HA -0.172 4.167 4.340 -0.001 0.000 0.238 248 R C 1.647 178.028 176.300 0.135 0.000 1.136 248 R CA 1.381 57.460 56.100 -0.036 0.000 0.959 248 R CB -0.104 30.104 30.300 -0.154 0.000 0.856 248 R HN 0.180 nan 8.270 nan 0.000 0.437 249 Y N 0.013 120.384 120.300 0.119 0.000 2.184 249 Y HA -0.112 4.438 4.550 -0.001 0.000 0.290 249 Y C 2.430 178.456 175.900 0.211 0.000 1.129 249 Y CA 0.557 58.797 58.100 0.233 0.000 1.144 249 Y CB -0.872 37.742 38.460 0.256 0.000 0.995 249 Y HN -0.145 nan 8.280 nan 0.000 0.513 250 V N 1.010 121.064 119.914 0.232 0.000 2.343 250 V HA -0.306 3.813 4.120 -0.001 0.000 0.247 250 V C 2.352 178.503 176.094 0.095 0.000 1.051 250 V CA 2.120 64.487 62.300 0.111 0.000 1.036 250 V CB -0.725 31.111 31.823 0.022 0.000 0.654 250 V HN 0.539 nan 8.190 nan 0.000 0.451 251 N N 0.216 118.972 118.700 0.093 0.000 2.188 251 N HA -0.235 4.505 4.740 -0.001 0.000 0.184 251 N C 2.021 177.584 175.510 0.089 0.000 1.018 251 N CA 1.644 54.734 53.050 0.067 0.000 0.858 251 N CB 0.034 38.547 38.487 0.042 0.000 0.989 251 N HN 0.688 nan 8.380 nan 0.000 0.426 252 E N 0.600 120.893 120.200 0.155 0.000 2.085 252 E HA -0.219 4.131 4.350 -0.001 0.000 0.194 252 E C 2.167 178.774 176.600 0.011 0.000 0.994 252 E CA 0.967 57.459 56.400 0.154 0.000 0.801 252 E CB -0.129 29.755 29.700 0.306 0.000 0.743 252 E HN 0.407 nan 8.360 nan 0.000 0.453 253 M N 0.795 120.420 119.600 0.042 0.000 2.229 253 M HA -0.168 4.311 4.480 -0.001 0.000 0.264 253 M C 2.087 178.313 176.300 -0.124 0.000 1.063 253 M CA 1.372 56.539 55.300 -0.222 0.000 1.114 253 M CB -0.135 32.560 32.600 0.157 0.000 1.387 253 M HN 0.065 nan 8.290 nan 0.000 0.420 254 N N 0.736 119.437 118.700 0.001 0.000 2.080 254 N HA -0.178 4.562 4.740 -0.001 0.000 0.189 254 N C 1.459 177.016 175.510 0.080 0.000 1.036 254 N CA 1.688 54.771 53.050 0.055 0.000 0.846 254 N CB -0.087 38.432 38.487 0.054 0.000 1.015 254 N HN 0.415 nan 8.380 nan 0.000 0.423 255 K N 0.552 120.986 120.400 0.057 0.000 2.026 255 K HA -0.074 4.246 4.320 -0.001 0.000 0.208 255 K C 1.910 178.610 176.600 0.166 0.000 1.048 255 K CA 1.388 57.732 56.287 0.094 0.000 0.929 255 K CB -0.009 32.533 32.500 0.069 0.000 0.713 255 K HN 0.354 nan 8.250 nan 0.000 0.439 256 E N -0.336 119.865 120.200 0.002 0.000 2.299 256 E HA -0.055 4.295 4.350 -0.001 0.000 0.193 256 E C 1.369 177.877 176.600 -0.154 0.000 0.998 256 E CA 0.702 57.050 56.400 -0.086 0.000 0.851 256 E CB 0.582 30.145 29.700 -0.228 0.000 0.795 256 E HN 0.070 nan 8.360 nan 0.000 0.492 257 V N -0.036 119.857 119.914 -0.034 0.000 3.658 257 V HA -0.053 4.066 4.120 -0.001 0.000 0.197 257 V C 1.916 178.243 176.094 0.388 0.000 1.295 257 V CA -0.023 62.356 62.300 0.130 0.000 1.298 257 V CB -0.383 31.474 31.823 0.056 0.000 1.347 257 V HN 0.086 nan 8.190 nan 0.000 0.548 258 L N 1.838 123.225 121.223 0.273 0.000 2.051 258 L HA -0.209 4.131 4.340 -0.001 0.000 0.214 258 L C 2.580 179.655 176.870 0.341 0.000 1.076 258 L CA 2.306 57.329 54.840 0.305 0.000 0.758 258 L CB -1.071 41.115 42.059 0.213 0.000 0.890 258 L HN 0.601 nan 8.230 nan 0.000 0.433 259 S N -1.927 113.938 115.700 0.275 0.000 2.507 259 S HA -0.148 4.322 4.470 -0.001 0.000 0.235 259 S C 1.567 176.200 174.600 0.055 0.000 0.988 259 S CA 0.594 58.879 58.200 0.143 0.000 0.944 259 S CB -0.664 62.553 63.200 0.028 0.000 0.762 259 S HN 0.520 nan 8.310 nan 0.000 0.526 260 H N -0.273 118.878 119.070 0.135 0.000 2.539 260 H HA 0.262 4.818 4.556 -0.001 0.000 0.267 260 H C -0.618 174.553 175.328 -0.260 0.000 0.982 260 H CA 0.359 56.364 56.048 -0.072 0.000 1.146 260 H CB 0.103 29.755 29.762 -0.183 0.000 1.382 260 H HN 0.487 nan 8.280 nan 0.000 0.577 261 Y N -0.259 120.164 120.300 0.205 0.000 2.581 261 Y HA 0.153 4.703 4.550 -0.001 0.000 0.345 261 Y C -0.173 175.842 175.900 0.192 0.000 1.036 261 Y CA -1.592 56.620 58.100 0.187 0.000 1.042 261 Y CB 1.241 39.820 38.460 0.198 0.000 1.289 261 Y HN -0.129 nan 8.280 nan 0.000 0.471 262 D N 2.925 123.539 120.400 0.356 0.000 2.494 262 D HA 0.390 5.030 4.640 -0.001 0.000 0.217 262 D C -0.749 175.808 176.300 0.427 0.000 1.153 262 D CA 0.036 54.243 54.000 0.346 0.000 0.954 262 D CB -0.441 40.526 40.800 0.278 0.000 1.034 262 D HN 0.517 nan 8.370 nan 0.000 0.518 263 I N -1.142 119.687 120.570 0.432 0.000 3.239 263 I HA 0.883 5.053 4.170 -0.001 0.000 0.314 263 I C -0.962 175.349 176.117 0.324 0.000 1.126 263 I CA -1.718 59.849 61.300 0.444 0.000 0.973 263 I CB 2.041 40.228 38.000 0.312 0.000 1.252 263 I HN 0.162 nan 8.210 nan 0.000 0.463 264 A N 1.520 124.489 122.820 0.248 0.000 2.330 264 A HA 0.798 5.117 4.320 -0.001 0.000 0.327 264 A C -0.275 177.238 177.584 -0.118 0.000 1.155 264 A CA -0.434 51.446 52.037 -0.262 0.000 0.803 264 A CB 1.001 19.802 19.000 -0.331 0.000 1.208 264 A HN 0.835 nan 8.150 nan 0.000 0.477 265 T N -0.420 113.995 114.554 -0.231 0.000 2.824 265 T HA 0.770 5.119 4.350 -0.001 0.000 0.282 265 T C -0.334 174.307 174.700 -0.099 0.000 0.993 265 T CA -0.109 61.978 62.100 -0.020 0.000 0.967 265 T CB 1.580 70.568 68.868 0.200 0.000 0.960 265 T HN 1.521 nan 8.240 nan 0.000 0.441 266 A N 1.982 124.702 122.820 -0.166 0.000 2.337 266 A HA 0.908 5.227 4.320 -0.001 0.000 0.329 266 A C 0.306 177.734 177.584 -0.260 0.000 1.146 266 A CA -0.819 50.980 52.037 -0.397 0.000 0.800 266 A CB 1.157 19.552 19.000 -1.009 0.000 1.220 266 A HN 1.343 nan 8.150 nan 0.000 0.472 267 G N 0.754 109.497 108.800 -0.095 0.000 2.502 267 G HA2 0.494 4.454 3.960 -0.001 0.000 0.311 267 G HA3 0.494 4.454 3.960 -0.001 0.000 0.311 267 G C -0.462 174.413 174.900 -0.042 0.000 1.270 267 G CA -0.316 44.816 45.100 0.053 0.000 0.948 267 G HN 0.763 nan 8.290 nan 0.000 0.487 268 E N 3.383 123.533 120.200 -0.084 0.000 1.814 268 E HA 0.105 4.455 4.350 -0.001 0.000 0.264 268 E C 0.672 177.378 176.600 0.177 0.000 1.179 268 E CA -0.495 55.971 56.400 0.110 0.000 0.972 268 E CB 0.069 29.853 29.700 0.140 0.000 1.077 268 E HN 0.572 nan 8.360 nan 0.000 0.417 269 I N 2.366 123.051 120.570 0.192 0.000 2.280 269 I HA 0.219 4.389 4.170 -0.001 0.000 0.287 269 I C -0.160 176.089 176.117 0.220 0.000 1.121 269 I CA -0.667 60.654 61.300 0.035 0.000 1.798 269 I CB -0.565 37.370 38.000 -0.110 0.000 1.489 269 I HN 0.235 nan 8.210 nan 0.000 0.805 270 F N 5.174 125.127 119.950 0.005 0.000 2.538 270 F HA 0.494 5.020 4.527 -0.001 0.000 0.371 270 F C 1.364 176.965 175.800 -0.332 0.000 1.087 270 F CA 0.672 58.422 58.000 -0.417 0.000 1.250 270 F CB 0.691 39.432 39.000 -0.431 0.000 1.110 270 F HN 0.695 nan 8.300 nan 0.000 0.570 271 G N 3.581 111.885 108.800 -0.826 0.000 2.199 271 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.254 271 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.254 271 G C -0.243 174.473 174.900 -0.308 0.000 0.982 271 G CA 0.056 44.744 45.100 -0.687 0.000 0.632 271 G HN 0.786 nan 8.290 nan 0.000 0.529 272 V N 3.852 123.671 119.914 -0.159 0.000 2.461 272 V HA 0.455 4.575 4.120 -0.001 0.000 0.275 272 V C -0.998 175.097 176.094 0.001 0.000 1.047 272 V CA -1.193 61.091 62.300 -0.026 0.000 0.955 272 V CB 1.292 33.155 31.823 0.066 0.000 0.988 272 V HN 0.295 nan 8.190 nan 0.000 0.471 273 P HA 0.088 nan 4.420 nan 0.000 0.271 273 P C 0.750 178.078 177.300 0.046 0.000 1.216 273 P CA -0.418 62.684 63.100 0.003 0.000 0.776 273 P CB 1.249 32.944 31.700 -0.009 0.000 0.881 274 L N 2.579 123.821 121.223 0.031 0.000 2.081 274 L HA -0.208 4.132 4.340 -0.001 0.000 0.212 274 L C 1.636 178.542 176.870 0.060 0.000 1.080 274 L CA 2.031 56.897 54.840 0.043 0.000 0.754 274 L CB -1.044 41.018 42.059 0.004 0.000 0.893 274 L HN 0.288 nan 8.230 nan 0.000 0.433 275 D N -1.111 119.315 120.400 0.043 0.000 2.218 275 D HA -0.176 4.463 4.640 -0.001 0.000 0.204 275 D C 2.040 178.377 176.300 0.061 0.000 0.976 275 D CA 0.911 54.936 54.000 0.042 0.000 0.853 275 D CB 0.116 40.929 40.800 0.023 0.000 0.939 275 D HN 0.446 nan 8.370 nan 0.000 0.481 276 Q N -0.436 119.416 119.800 0.087 0.000 2.392 276 Q HA 0.034 4.373 4.340 -0.001 0.000 0.203 276 Q C 2.003 178.133 176.000 0.217 0.000 0.917 276 Q CA 0.122 55.994 55.803 0.115 0.000 0.939 276 Q CB 0.277 29.091 28.738 0.126 0.000 1.063 276 Q HN 0.210 nan 8.270 nan 0.000 0.516 277 S N 0.134 115.987 115.700 0.255 0.000 2.368 277 S HA -0.191 4.278 4.470 -0.001 0.000 0.225 277 S C 1.841 176.706 174.600 0.442 0.000 1.030 277 S CA 0.977 59.425 58.200 0.414 0.000 0.999 277 S CB -0.386 63.011 63.200 0.328 0.000 0.844 277 S HN 0.364 nan 8.310 nan 0.000 0.459 278 I N 2.709 123.440 120.570 0.269 0.000 2.399 278 I HA -0.156 4.013 4.170 -0.001 0.000 0.254 278 I C 2.046 178.210 176.117 0.080 0.000 1.146 278 I CA 1.212 62.646 61.300 0.225 0.000 1.412 278 I CB -0.495 37.590 38.000 0.142 0.000 1.076 278 I HN 0.248 nan 8.210 nan 0.000 0.432 279 K N -0.591 119.757 120.400 -0.086 0.000 2.360 279 K HA -0.142 4.177 4.320 -0.001 0.000 0.201 279 K C 1.852 178.150 176.600 -0.503 0.000 1.046 279 K CA 1.291 57.327 56.287 -0.419 0.000 0.945 279 K CB -0.350 31.661 32.500 -0.816 0.000 0.750 279 K HN 0.337 nan 8.250 nan 0.000 0.464 280 F N -0.720 119.037 119.950 -0.322 0.000 2.569 280 F HA 0.076 4.603 4.527 -0.001 0.000 0.295 280 F C 1.279 176.541 175.800 -0.898 0.000 1.115 280 F CA 0.532 58.115 58.000 -0.695 0.000 1.450 280 F CB 0.172 38.416 39.000 -1.260 0.000 1.107 280 F HN -0.114 nan 8.300 nan 0.000 0.563 281 F N -1.665 118.422 119.950 0.229 0.000 2.706 281 F HA 0.174 4.701 4.527 -0.001 0.000 0.313 281 F C 0.572 176.480 175.800 0.180 0.000 1.096 281 F CA -0.827 57.286 58.000 0.188 0.000 1.219 281 F CB -0.273 38.846 39.000 0.199 0.000 1.051 281 F HN -0.313 nan 8.300 nan 0.000 0.568 282 D N 2.773 123.310 120.400 0.228 0.000 2.472 282 D HA -0.059 4.580 4.640 -0.001 0.000 0.248 282 D C 1.634 178.047 176.300 0.188 0.000 1.174 282 D CA 0.177 54.300 54.000 0.205 0.000 0.883 282 D CB 0.810 41.648 40.800 0.063 0.000 1.149 282 D HN 0.418 nan 8.370 nan 0.000 0.488 283 R N 3.843 124.505 120.500 0.270 0.000 2.193 283 R HA -0.122 4.218 4.340 -0.001 0.000 0.229 283 R C 1.469 177.854 176.300 0.142 0.000 1.110 283 R CA 0.835 57.076 56.100 0.234 0.000 0.988 283 R CB -0.137 30.338 30.300 0.292 0.000 0.871 283 R HN 0.342 nan 8.270 nan 0.000 0.458 284 R N 0.574 121.122 120.500 0.080 0.000 2.189 284 R HA 0.064 4.404 4.340 -0.001 0.000 0.218 284 R C 1.960 178.249 176.300 -0.019 0.000 1.074 284 R CA 1.017 57.115 56.100 -0.003 0.000 0.991 284 R CB -0.070 30.152 30.300 -0.129 0.000 0.883 284 R HN 0.277 nan 8.270 nan 0.000 0.457 285 R N 0.692 121.180 120.500 -0.021 0.000 2.299 285 R HA -0.008 4.331 4.340 -0.001 0.000 0.197 285 R C -0.373 175.914 176.300 -0.021 0.000 0.971 285 R CA 0.194 56.264 56.100 -0.051 0.000 1.030 285 R CB 0.084 30.320 30.300 -0.107 0.000 0.932 285 R HN 0.101 nan 8.270 nan 0.000 0.477 286 D N 1.066 121.477 120.400 0.020 0.000 2.737 286 D HA -0.185 4.455 4.640 -0.001 0.000 0.238 286 D C 0.097 176.412 176.300 0.024 0.000 1.157 286 D CA 1.122 55.144 54.000 0.036 0.000 0.694 286 D CB -0.628 40.191 40.800 0.032 0.000 1.021 286 D HN 0.504 nan 8.370 nan 0.000 0.420 287 E N -0.920 119.290 120.200 0.017 0.000 3.130 287 E HA 0.405 4.755 4.350 -0.001 0.000 0.264 287 E C 0.793 177.396 176.600 0.005 0.000 1.006 287 E CA -0.489 55.907 56.400 -0.006 0.000 0.973 287 E CB 0.567 30.236 29.700 -0.050 0.000 3.001 287 E HN 0.066 nan 8.360 nan 0.000 0.586 288 L N 0.619 121.842 121.223 -0.001 0.000 2.271 288 L HA 0.384 4.723 4.340 -0.001 0.000 0.265 288 L C 0.573 177.569 176.870 0.211 0.000 1.013 288 L CA -0.400 54.490 54.840 0.084 0.000 0.820 288 L CB 1.302 43.419 42.059 0.097 0.000 1.352 288 L HN 0.207 nan 8.230 nan 0.000 0.443 289 N N -0.060 118.703 118.700 0.105 0.000 2.414 289 N HA 0.257 4.997 4.740 -0.001 0.000 0.189 289 N C -0.328 175.207 175.510 0.041 0.000 1.039 289 N CA 0.353 53.331 53.050 -0.119 0.000 0.889 289 N CB 0.444 38.356 38.487 -0.958 0.000 1.085 289 N HN 0.317 nan 8.380 nan 0.000 0.442 290 I N 1.025 121.569 120.570 -0.043 0.000 2.378 290 I HA 0.390 4.559 4.170 -0.001 0.000 0.291 290 I C -0.649 175.184 176.117 -0.474 0.000 0.992 290 I CA -0.921 60.350 61.300 -0.048 0.000 1.154 290 I CB 1.730 39.761 38.000 0.052 0.000 1.315 290 I HN 0.027 nan 8.210 nan 0.000 0.448 291 A N 6.671 128.951 122.820 -0.899 0.000 2.320 291 A HA 0.600 4.920 4.320 -0.001 0.000 0.287 291 A C -0.859 176.549 177.584 -0.293 0.000 1.181 291 A CA -0.103 51.132 52.037 -1.336 0.000 0.831 291 A CB 0.011 18.164 19.000 -1.413 0.000 1.102 291 A HN 0.487 nan 8.150 nan 0.000 0.513 292 F N 2.621 122.319 119.950 -0.420 0.000 2.308 292 F HA 0.352 4.879 4.527 -0.001 0.000 0.370 292 F C 1.159 176.832 175.800 -0.211 0.000 1.100 292 F CA -0.600 57.255 58.000 -0.242 0.000 1.108 292 F CB 1.209 40.109 39.000 -0.167 0.000 1.293 292 F HN 0.631 nan 8.300 nan 0.000 0.478 293 T N -1.350 113.088 114.554 -0.192 0.000 2.944 293 T HA 0.463 4.813 4.350 -0.001 0.000 0.284 293 T C 0.478 175.024 174.700 -0.257 0.000 1.010 293 T CA -0.351 61.690 62.100 -0.099 0.000 1.025 293 T CB 1.282 70.071 68.868 -0.131 0.000 1.079 293 T HN 0.211 nan 8.240 nan 0.000 0.516 294 F N -0.329 119.586 119.950 -0.058 0.000 2.704 294 F HA 0.256 4.783 4.527 -0.001 0.000 0.304 294 F C 1.578 177.317 175.800 -0.101 0.000 1.094 294 F CA -0.649 57.328 58.000 -0.038 0.000 1.275 294 F CB -0.348 38.689 39.000 0.061 0.000 1.073 294 F HN 0.526 nan 8.300 nan 0.000 0.586 295 D N 0.631 121.037 120.400 0.009 0.000 2.133 295 D HA -0.230 4.409 4.640 -0.001 0.000 0.192 295 D C 2.132 178.344 176.300 -0.146 0.000 1.001 295 D CA 1.494 55.454 54.000 -0.067 0.000 0.844 295 D CB -0.176 40.562 40.800 -0.102 0.000 0.944 295 D HN 0.163 nan 8.370 nan 0.000 0.447 296 L N -0.002 121.056 121.223 -0.275 0.000 2.084 296 L HA 0.148 4.488 4.340 -0.001 0.000 0.202 296 L C 1.913 178.639 176.870 -0.241 0.000 1.074 296 L CA 1.040 55.652 54.840 -0.379 0.000 0.757 296 L CB -0.416 41.259 42.059 -0.640 0.000 0.918 296 L HN 0.063 nan 8.230 nan 0.000 0.444 297 I N -0.565 119.864 120.570 -0.235 0.000 2.530 297 I HA -0.231 3.938 4.170 -0.001 0.000 0.257 297 I C 1.095 177.317 176.117 0.175 0.000 1.179 297 I CA 1.174 62.482 61.300 0.012 0.000 1.440 297 I CB -0.058 37.917 38.000 -0.040 0.000 1.087 297 I HN 0.279 nan 8.210 nan 0.000 0.440 298 R N 0.063 120.628 120.500 0.109 0.000 2.727 298 R HA 0.121 4.460 4.340 -0.001 0.000 0.410 298 R C 1.145 177.468 176.300 0.039 0.000 1.101 298 R CA -0.215 55.959 56.100 0.123 0.000 1.045 298 R CB 0.454 30.862 30.300 0.179 0.000 1.380 298 R HN 0.201 nan 8.270 nan 0.000 0.587 299 L N -0.387 120.826 121.223 -0.016 0.000 2.191 299 L HA -0.069 4.270 4.340 -0.001 0.000 0.212 299 L C 1.128 177.981 176.870 -0.028 0.000 1.103 299 L CA 1.614 56.424 54.840 -0.050 0.000 0.769 299 L CB -0.749 41.253 42.059 -0.096 0.000 0.908 299 L HN 0.071 nan 8.230 nan 0.000 0.438 300 D N -0.967 119.410 120.400 -0.039 0.000 2.427 300 D HA 0.129 4.769 4.640 -0.001 0.000 0.224 300 D C 0.487 176.784 176.300 -0.004 0.000 1.157 300 D CA -0.208 53.811 54.000 0.031 0.000 0.828 300 D CB -0.022 40.845 40.800 0.111 0.000 0.974 300 D HN 0.231 nan 8.370 nan 0.000 0.498 301 R N 0.955 121.433 120.500 -0.037 0.000 2.460 301 R HA 0.238 4.577 4.340 -0.001 0.000 0.303 301 R C -0.572 175.649 176.300 -0.131 0.000 0.968 301 R CA -0.667 55.376 56.100 -0.095 0.000 0.889 301 R CB 0.823 31.085 30.300 -0.063 0.000 1.123 301 R HN -0.055 nan 8.270 nan 0.000 0.455 302 D N 1.268 121.537 120.400 -0.218 0.000 2.414 302 D HA -0.046 4.593 4.640 -0.001 0.000 0.242 302 D C 0.285 176.460 176.300 -0.208 0.000 1.129 302 D CA 0.419 54.280 54.000 -0.231 0.000 0.885 302 D CB 1.119 41.709 40.800 -0.350 0.000 1.198 302 D HN 0.691 nan 8.370 nan 0.000 0.437 303 S N 2.327 117.931 115.700 -0.161 0.000 2.496 303 S HA -0.123 4.347 4.470 -0.001 0.000 0.224 303 S C 1.157 175.669 174.600 -0.147 0.000 0.996 303 S CA 0.336 58.445 58.200 -0.152 0.000 0.927 303 S CB 0.408 63.527 63.200 -0.136 0.000 0.774 303 S HN 0.530 nan 8.310 nan 0.000 0.524 304 D N 1.628 121.949 120.400 -0.133 0.000 2.355 304 D HA 0.033 4.673 4.640 -0.001 0.000 0.233 304 D C 0.581 176.838 176.300 -0.071 0.000 0.997 304 D CA 0.748 54.713 54.000 -0.059 0.000 0.920 304 D CB -0.200 40.579 40.800 -0.034 0.000 1.063 304 D HN 0.413 nan 8.370 nan 0.000 0.465 305 Q N 1.166 120.801 119.800 -0.275 0.000 2.681 305 Q HA 0.251 4.590 4.340 -0.001 0.000 0.222 305 Q C 0.579 176.043 176.000 -0.893 0.000 1.258 305 Q CA -0.185 55.231 55.803 -0.645 0.000 1.014 305 Q CB 0.811 28.995 28.738 -0.924 0.000 1.384 305 Q HN 0.186 nan 8.270 nan 0.000 0.570 306 R N 1.191 121.390 120.500 -0.502 0.000 2.377 306 R HA -0.105 4.235 4.340 -0.001 0.000 0.207 306 R C 1.189 177.169 176.300 -0.533 0.000 1.075 306 R CA 0.957 56.842 56.100 -0.358 0.000 1.035 306 R CB 0.060 30.401 30.300 0.069 0.000 0.857 306 R HN 0.710 nan 8.270 nan 0.000 0.475 307 W N 0.241 121.034 121.300 -0.845 0.000 3.114 307 W HA 0.224 4.884 4.660 -0.001 0.000 0.279 307 W C 0.436 176.649 176.519 -0.510 0.000 1.277 307 W CA -0.682 56.171 57.345 -0.821 0.000 1.630 307 W CB -0.172 28.591 29.460 -1.161 0.000 1.087 307 W HN -0.174 nan 8.180 nan 0.000 0.637 308 R N 2.764 122.600 120.500 -1.107 0.000 2.404 308 R HA 0.305 4.645 4.340 -0.001 0.000 0.291 308 R C -0.045 175.992 176.300 -0.439 0.000 1.025 308 R CA -0.479 55.108 56.100 -0.855 0.000 0.991 308 R CB 0.906 30.395 30.300 -1.351 0.000 1.053 308 R HN -0.054 nan 8.270 nan 0.000 0.479 309 R N 1.987 122.337 120.500 -0.250 0.000 2.828 309 R HA 0.516 4.855 4.340 -0.001 0.000 0.264 309 R C -1.259 174.995 176.300 -0.077 0.000 1.022 309 R CA -0.815 55.205 56.100 -0.134 0.000 1.021 309 R CB 1.026 31.279 30.300 -0.079 0.000 1.163 309 R HN 0.636 nan 8.270 nan 0.000 0.494 310 K N -0.321 120.079 120.400 0.000 0.000 2.495 310 K HA 0.453 4.773 4.320 -0.001 0.000 0.268 310 K C -1.242 175.439 176.600 0.134 0.000 1.008 310 K CA -1.065 55.240 56.287 0.031 0.000 0.882 310 K CB 1.260 33.758 32.500 -0.002 0.000 1.443 310 K HN 0.445 nan 8.250 nan 0.000 0.447 311 D N 1.273 121.727 120.400 0.090 0.000 2.382 311 D HA 0.203 4.843 4.640 -0.001 0.000 0.240 311 D C -0.316 176.094 176.300 0.183 0.000 1.146 311 D CA 0.304 54.351 54.000 0.078 0.000 0.897 311 D CB 0.418 41.201 40.800 -0.028 0.000 1.197 311 D HN 0.508 nan 8.370 nan 0.000 0.432 312 W N -0.728 120.578 121.300 0.010 0.000 3.062 312 W HA 0.581 5.241 4.660 -0.001 0.000 0.336 312 W C -1.073 175.445 176.519 -0.001 0.000 1.224 312 W CA -0.939 56.416 57.345 0.016 0.000 1.159 312 W CB 0.746 30.239 29.460 0.055 0.000 1.454 312 W HN 0.085 nan 8.180 nan 0.000 0.569 313 K N 1.047 121.540 120.400 0.155 0.000 2.340 313 K HA 0.337 4.656 4.320 -0.001 0.000 0.244 313 K C 0.653 177.324 176.600 0.119 0.000 0.973 313 K CA -0.912 55.347 56.287 -0.048 0.000 0.828 313 K CB 3.109 35.581 32.500 -0.046 0.000 1.226 313 K HN 0.265 nan 8.250 nan 0.000 0.437 314 L N 2.055 123.216 121.223 -0.103 0.000 2.043 314 L HA -0.253 4.087 4.340 -0.001 0.000 0.212 314 L C 2.045 178.895 176.870 -0.034 0.000 1.075 314 L CA 2.413 57.150 54.840 -0.171 0.000 0.752 314 L CB -0.751 41.039 42.059 -0.449 0.000 0.891 314 L HN 0.868 nan 8.230 nan 0.000 0.432 315 S N -1.329 114.354 115.700 -0.028 0.000 2.387 315 S HA -0.310 4.160 4.470 -0.001 0.000 0.230 315 S C 1.849 176.472 174.600 0.038 0.000 1.035 315 S CA 1.552 59.753 58.200 0.002 0.000 1.014 315 S CB -0.778 62.422 63.200 0.001 0.000 0.836 315 S HN 0.726 nan 8.310 nan 0.000 0.466 316 Q N -0.138 119.718 119.800 0.093 0.000 2.083 316 Q HA 0.042 4.382 4.340 -0.001 0.000 0.198 316 Q C 1.942 177.998 176.000 0.093 0.000 0.969 316 Q CA 1.415 57.279 55.803 0.102 0.000 0.838 316 Q CB -0.364 28.470 28.738 0.159 0.000 0.900 316 Q HN 0.665 nan 8.270 nan 0.000 0.436 317 F N 2.508 122.442 119.950 -0.026 0.000 2.046 317 F HA -0.258 4.268 4.527 -0.001 0.000 0.297 317 F C 2.509 178.161 175.800 -0.246 0.000 1.123 317 F CA 1.997 59.900 58.000 -0.161 0.000 1.199 317 F CB -0.114 38.805 39.000 -0.134 0.000 0.972 317 F HN -0.077 nan 8.300 nan 0.000 0.474 318 R N 0.279 120.731 120.500 -0.080 0.000 2.115 318 R HA -0.156 4.183 4.340 -0.001 0.000 0.230 318 R C 1.962 178.197 176.300 -0.108 0.000 1.111 318 R CA 1.709 57.681 56.100 -0.212 0.000 0.976 318 R CB -1.059 29.141 30.300 -0.168 0.000 0.870 318 R HN 0.428 nan 8.270 nan 0.000 0.445 319 Q N 0.735 120.497 119.800 -0.064 0.000 2.167 319 Q HA -0.009 4.331 4.340 -0.001 0.000 0.202 319 Q C 2.116 178.062 176.000 -0.089 0.000 0.970 319 Q CA 1.389 57.167 55.803 -0.041 0.000 0.855 319 Q CB -0.026 28.702 28.738 -0.016 0.000 0.911 319 Q HN 0.436 nan 8.270 nan 0.000 0.438 320 I N 0.136 120.612 120.570 -0.156 0.000 2.286 320 I HA -0.255 3.914 4.170 -0.001 0.000 0.245 320 I C 2.022 177.989 176.117 -0.251 0.000 1.104 320 I CA 0.893 62.075 61.300 -0.197 0.000 1.397 320 I CB -0.133 37.720 38.000 -0.245 0.000 1.072 320 I HN 0.209 nan 8.210 nan 0.000 0.417 321 I N 0.729 121.094 120.570 -0.342 0.000 2.208 321 I HA -0.343 3.826 4.170 -0.001 0.000 0.245 321 I C 2.212 178.169 176.117 -0.266 0.000 1.097 321 I CA 1.761 62.841 61.300 -0.366 0.000 1.363 321 I CB -0.498 37.245 38.000 -0.429 0.000 1.051 321 I HN 0.284 nan 8.210 nan 0.000 0.413 322 D N 1.039 121.376 120.400 -0.105 0.000 2.117 322 D HA -0.181 4.459 4.640 -0.001 0.000 0.197 322 D C 1.862 178.141 176.300 -0.035 0.000 0.987 322 D CA 1.646 55.661 54.000 0.024 0.000 0.829 322 D CB -0.132 40.732 40.800 0.107 0.000 0.961 322 D HN 0.333 nan 8.370 nan 0.000 0.460 323 N N -0.807 117.855 118.700 -0.063 0.000 2.120 323 N HA -0.126 4.614 4.740 -0.001 0.000 0.188 323 N C 1.834 177.296 175.510 -0.080 0.000 1.024 323 N CA 0.835 53.852 53.050 -0.056 0.000 0.852 323 N CB 0.174 38.626 38.487 -0.059 0.000 1.003 323 N HN 0.037 nan 8.380 nan 0.000 0.424 324 V N 1.190 121.022 119.914 -0.137 0.000 2.358 324 V HA -0.216 3.903 4.120 -0.001 0.000 0.246 324 V C 1.875 177.866 176.094 -0.171 0.000 1.047 324 V CA 1.786 63.987 62.300 -0.164 0.000 1.035 324 V CB -0.461 31.218 31.823 -0.241 0.000 0.658 324 V HN 0.298 nan 8.190 nan 0.000 0.452 325 D N 0.311 120.591 120.400 -0.199 0.000 2.097 325 D HA -0.159 4.480 4.640 -0.001 0.000 0.197 325 D C 2.312 178.563 176.300 -0.082 0.000 0.984 325 D CA 1.848 55.730 54.000 -0.196 0.000 0.826 325 D CB -0.060 40.597 40.800 -0.239 0.000 0.973 325 D HN 0.291 nan 8.370 nan 0.000 0.460 326 R N -0.282 120.198 120.500 -0.033 0.000 2.115 326 R HA -0.030 4.310 4.340 -0.001 0.000 0.230 326 R C 2.409 178.718 176.300 0.015 0.000 1.111 326 R CA 1.915 58.019 56.100 0.007 0.000 0.976 326 R CB -1.797 28.515 30.300 0.019 0.000 0.870 326 R HN 0.280 nan 8.270 nan 0.000 0.445 327 T N 0.193 114.748 114.554 0.001 0.000 2.857 327 T HA 0.074 4.424 4.350 -0.001 0.000 0.266 327 T C 2.412 177.147 174.700 0.059 0.000 1.048 327 T CA 1.208 63.326 62.100 0.030 0.000 1.139 327 T CB -0.308 68.573 68.868 0.021 0.000 0.874 327 T HN 0.657 nan 8.240 nan 0.000 0.455 328 A N 0.933 123.766 122.820 0.022 0.000 1.873 328 A HA 0.379 4.699 4.320 -0.001 0.000 0.215 328 A C 1.955 179.601 177.584 0.102 0.000 1.186 328 A CA 1.658 53.729 52.037 0.057 0.000 0.616 328 A CB -1.375 17.594 19.000 -0.052 0.000 0.823 328 A HN 0.715 nan 8.150 nan 0.000 0.442 329 G N -0.824 108.010 108.800 0.057 0.000 2.596 329 G HA2 -0.420 3.540 3.960 -0.001 0.000 0.295 329 G HA3 -0.420 3.540 3.960 -0.001 0.000 0.295 329 G C 0.811 175.746 174.900 0.058 0.000 1.240 329 G CA 0.875 46.014 45.100 0.065 0.000 0.985 329 G HN 0.681 nan 8.290 nan 0.000 0.555 330 E N -0.988 119.203 120.200 -0.016 0.000 2.170 330 E HA 0.095 4.445 4.350 -0.001 0.000 0.191 330 E C 2.083 178.496 176.600 -0.312 0.000 0.981 330 E CA 1.091 57.355 56.400 -0.227 0.000 0.830 330 E CB 0.038 29.445 29.700 -0.489 0.000 0.775 330 E HN 0.628 nan 8.360 nan 0.000 0.470 331 Y N -0.817 119.576 120.300 0.155 0.000 2.458 331 Y HA 0.340 4.889 4.550 -0.001 0.000 0.254 331 Y C 1.095 177.139 175.900 0.239 0.000 1.120 331 Y CA 0.062 58.265 58.100 0.172 0.000 1.282 331 Y CB 0.878 39.412 38.460 0.124 0.000 1.109 331 Y HN -0.002 nan 8.280 nan 0.000 0.526 332 G N -1.059 107.964 108.800 0.372 0.000 2.642 332 G HA2 0.398 4.358 3.960 -0.001 0.000 0.291 332 G HA3 0.398 4.358 3.960 -0.001 0.000 0.291 332 G C -1.656 173.537 174.900 0.487 0.000 1.345 332 G CA -0.496 44.848 45.100 0.407 0.000 1.043 332 G HN 0.183 nan 8.290 nan 0.000 0.528 333 W N 0.160 121.566 121.300 0.177 0.000 3.479 333 W HA 0.357 5.017 4.660 -0.000 0.000 0.304 333 W C -1.620 174.897 176.519 -0.004 0.000 1.243 333 W CA -0.647 56.780 57.345 0.137 0.000 1.202 333 W CB 1.911 31.561 29.460 0.317 0.000 1.346 333 W HN 0.420 nan 8.180 nan 0.000 0.539 334 N N 2.323 120.554 118.700 -0.782 0.000 2.430 334 N HA 0.672 5.412 4.740 -0.001 0.000 0.298 334 N C -0.538 174.726 175.510 -0.411 0.000 1.130 334 N CA -0.301 52.421 53.050 -0.548 0.000 0.894 334 N CB 2.076 40.254 38.487 -0.515 0.000 1.209 334 N HN 0.416 nan 8.380 nan 0.000 0.503 335 A N 0.647 123.347 122.820 -0.200 0.000 2.294 335 A HA 0.722 5.042 4.320 -0.001 0.000 0.330 335 A C -1.272 176.190 177.584 -0.204 0.000 1.133 335 A CA -0.479 51.558 52.037 -0.000 0.000 0.836 335 A CB 0.530 19.483 19.000 -0.079 0.000 1.190 335 A HN 0.599 nan 8.150 nan 0.000 0.492 336 F N 1.944 121.786 119.950 -0.181 0.000 2.557 336 F HA 0.708 5.234 4.527 -0.001 0.000 0.316 336 F C -1.401 174.314 175.800 -0.141 0.000 1.141 336 F CA -1.018 56.758 58.000 -0.374 0.000 0.922 336 F CB 1.470 40.312 39.000 -0.265 0.000 1.194 336 F HN 0.623 nan 8.300 nan 0.000 0.443 337 F N 4.234 123.723 119.950 -0.769 0.000 2.678 337 F HA 0.556 5.082 4.527 -0.001 0.000 0.308 337 F C -1.395 174.037 175.800 -0.613 0.000 1.118 337 F CA -1.204 56.533 58.000 -0.439 0.000 0.959 337 F CB 1.211 40.056 39.000 -0.258 0.000 1.305 337 F HN 0.299 nan 8.300 nan 0.000 0.443 338 L N 0.710 121.912 121.223 -0.035 0.000 2.766 338 L HA 0.320 4.659 4.340 -0.001 0.000 0.242 338 L C -0.920 176.107 176.870 0.261 0.000 1.136 338 L CA 0.054 54.878 54.840 -0.026 0.000 0.933 338 L CB 0.051 42.119 42.059 0.015 0.000 1.241 338 L HN 0.817 nan 8.230 nan 0.000 0.522 339 D N -1.223 119.311 120.400 0.224 0.000 2.692 339 D HA 0.410 5.050 4.640 -0.001 0.000 0.290 339 D C -1.060 175.154 176.300 -0.143 0.000 1.281 339 D CA -0.615 53.440 54.000 0.091 0.000 0.804 339 D CB 1.130 41.998 40.800 0.112 0.000 1.331 339 D HN -0.006 nan 8.370 nan 0.000 0.432 340 N N -2.752 115.672 118.700 -0.461 0.000 3.411 340 N HA 0.104 4.843 4.740 -0.001 0.000 0.312 340 N C 0.388 175.287 175.510 -1.019 0.000 1.454 340 N CA -0.384 52.165 53.050 -0.835 0.000 0.863 340 N CB -0.272 37.950 38.487 -0.441 0.000 1.747 340 N HN 0.560 nan 8.380 nan 0.000 0.474 341 H N -1.592 116.992 119.070 -0.809 0.000 2.563 341 H HA 0.205 4.760 4.556 -0.001 0.000 0.272 341 H C -0.749 174.421 175.328 -0.263 0.000 1.005 341 H CA 0.885 56.631 56.048 -0.504 0.000 1.171 341 H CB -0.264 29.360 29.762 -0.229 0.000 1.351 341 H HN 0.533 nan 8.280 nan 0.000 0.602 342 D N 0.270 120.252 120.400 -0.698 0.000 2.440 342 D HA 0.167 4.806 4.640 -0.001 0.000 0.216 342 D C -0.188 175.987 176.300 -0.208 0.000 1.150 342 D CA -0.049 53.671 54.000 -0.466 0.000 0.832 342 D CB 0.557 41.079 40.800 -0.463 0.000 0.992 342 D HN 0.329 nan 8.370 nan 0.000 0.502 343 N N 0.516 119.098 118.700 -0.198 0.000 2.732 343 N HA 0.280 5.020 4.740 -0.001 0.000 0.259 343 N C -2.790 172.681 175.510 -0.066 0.000 1.402 343 N CA -1.095 51.904 53.050 -0.084 0.000 0.829 343 N CB 3.009 41.486 38.487 -0.016 0.000 1.495 343 N HN -0.200 nan 8.380 nan 0.000 0.511 344 P HA 0.143 nan 4.420 nan 0.000 0.273 344 P C -0.378 176.955 177.300 0.055 0.000 1.250 344 P CA -0.301 62.793 63.100 -0.010 0.000 0.793 344 P CB 0.873 32.507 31.700 -0.110 0.000 1.011 345 R N 0.408 120.960 120.500 0.088 0.000 2.590 345 R HA 0.150 4.490 4.340 -0.001 0.000 0.274 345 R C 1.627 178.040 176.300 0.188 0.000 1.061 345 R CA 0.167 56.344 56.100 0.129 0.000 1.081 345 R CB -0.217 30.152 30.300 0.116 0.000 0.984 345 R HN 0.556 nan 8.270 nan 0.000 0.448 346 A N 3.393 126.356 122.820 0.238 0.000 1.865 346 A HA -0.170 4.150 4.320 -0.001 0.000 0.217 346 A C 2.083 179.834 177.584 0.278 0.000 1.191 346 A CA 1.893 54.132 52.037 0.337 0.000 0.623 346 A CB -0.586 18.612 19.000 0.331 0.000 0.826 346 A HN 0.532 nan 8.150 nan 0.000 0.444 347 V N -0.149 119.874 119.914 0.181 0.000 2.407 347 V HA -0.200 3.920 4.120 -0.001 0.000 0.248 347 V C 2.565 178.706 176.094 0.078 0.000 1.055 347 V CA 2.818 65.175 62.300 0.094 0.000 1.049 347 V CB -0.419 31.430 31.823 0.043 0.000 0.662 347 V HN 0.577 nan 8.190 nan 0.000 0.455 348 S N -1.229 114.531 115.700 0.100 0.000 2.377 348 S HA -0.145 4.325 4.470 -0.001 0.000 0.223 348 S C 1.865 176.545 174.600 0.132 0.000 1.030 348 S CA 1.281 59.534 58.200 0.089 0.000 0.970 348 S CB -0.426 62.816 63.200 0.071 0.000 0.830 348 S HN 0.832 nan 8.310 nan 0.000 0.473 349 H N 0.698 119.754 119.070 -0.023 0.000 2.284 349 H HA 0.104 4.659 4.556 -0.001 0.000 0.304 349 H C 1.224 176.414 175.328 -0.229 0.000 1.069 349 H CA 1.309 57.227 56.048 -0.217 0.000 1.327 349 H CB -0.395 29.109 29.762 -0.430 0.000 1.387 349 H HN 0.408 nan 8.280 nan 0.000 0.498 350 F N -0.666 119.428 119.950 0.240 0.000 2.731 350 F HA 0.311 4.837 4.527 -0.001 0.000 0.298 350 F C 1.789 177.778 175.800 0.316 0.000 1.106 350 F CA 0.410 58.573 58.000 0.271 0.000 1.329 350 F CB 0.230 39.284 39.000 0.090 0.000 1.100 350 F HN 0.218 nan 8.300 nan 0.000 0.592 351 G N -1.287 107.656 108.800 0.239 0.000 3.099 351 G HA2 0.282 4.241 3.960 -0.001 0.000 0.151 351 G HA3 0.282 4.241 3.960 -0.001 0.000 0.151 351 G C -1.422 173.404 174.900 -0.123 0.000 1.265 351 G CA -0.143 44.871 45.100 -0.144 0.000 0.981 351 G HN -0.044 nan 8.290 nan 0.000 0.601 352 D N -0.029 120.169 120.400 -0.337 0.000 2.476 352 D HA 0.211 4.851 4.640 -0.001 0.000 0.251 352 D C -0.445 175.824 176.300 -0.053 0.000 1.291 352 D CA -0.455 53.490 54.000 -0.092 0.000 0.939 352 D CB 1.600 42.383 40.800 -0.029 0.000 1.221 352 D HN 0.281 nan 8.370 nan 0.000 0.567 353 D N 2.234 122.637 120.400 0.004 0.000 2.336 353 D HA 0.004 4.644 4.640 -0.001 0.000 0.229 353 D C 0.325 176.626 176.300 0.003 0.000 1.061 353 D CA -0.110 53.887 54.000 -0.005 0.000 0.875 353 D CB -0.008 40.793 40.800 0.000 0.000 0.904 353 D HN 0.106 nan 8.370 nan 0.000 0.525 354 R N 0.722 121.252 120.500 0.050 0.000 2.641 354 R HA 0.220 4.559 4.340 -0.001 0.000 0.269 354 R C -1.440 174.830 176.300 -0.049 0.000 1.074 354 R CA -1.158 54.955 56.100 0.022 0.000 1.133 354 R CB 0.089 30.442 30.300 0.088 0.000 1.029 354 R HN -0.056 nan 8.270 nan 0.000 0.488 355 P HA -0.303 nan 4.420 nan 0.000 0.218 355 P C 0.867 178.035 177.300 -0.220 0.000 1.154 355 P CA 1.398 64.416 63.100 -0.136 0.000 0.872 355 P CB 0.149 31.771 31.700 -0.129 0.000 0.790 356 Q N -2.356 117.224 119.800 -0.367 0.000 2.297 356 Q HA -0.125 4.215 4.340 -0.001 0.000 0.204 356 Q C 1.014 176.537 176.000 -0.795 0.000 0.962 356 Q CA 1.144 56.536 55.803 -0.685 0.000 0.879 356 Q CB -0.185 27.941 28.738 -1.019 0.000 0.947 356 Q HN 0.380 nan 8.270 nan 0.000 0.462 357 W N -1.414 119.839 121.300 -0.079 0.000 2.868 357 W HA 0.305 4.965 4.660 -0.000 0.000 0.320 357 W C 1.921 178.266 176.519 -0.290 0.000 1.076 357 W CA -0.785 56.458 57.345 -0.171 0.000 1.576 357 W CB 0.378 29.726 29.460 -0.188 0.000 1.030 357 W HN -0.006 nan 8.180 nan 0.000 0.558 358 R N 1.799 122.280 120.500 -0.031 0.000 2.094 358 R HA -0.210 4.130 4.340 -0.001 0.000 0.239 358 R C 1.539 177.785 176.300 -0.089 0.000 1.137 358 R CA 2.445 58.497 56.100 -0.080 0.000 0.943 358 R CB -0.202 30.062 30.300 -0.059 0.000 0.850 358 R HN 0.247 nan 8.270 nan 0.000 0.433 359 E N -0.286 119.876 120.200 -0.063 0.000 2.047 359 E HA -0.125 4.225 4.350 -0.001 0.000 0.191 359 E C -0.944 175.608 176.600 -0.080 0.000 0.987 359 E CA 1.227 57.597 56.400 -0.049 0.000 0.799 359 E CB -0.663 29.016 29.700 -0.035 0.000 0.752 359 E HN 0.479 nan 8.360 nan 0.000 0.449 360 P HA -0.152 nan 4.420 nan 0.000 0.216 360 P C 1.622 178.847 177.300 -0.125 0.000 1.153 360 P CA 1.696 64.770 63.100 -0.043 0.000 0.844 360 P CB -0.024 31.756 31.700 0.134 0.000 0.787 361 S N 0.176 115.656 115.700 -0.366 0.000 2.402 361 S HA -0.046 4.423 4.470 -0.001 0.000 0.229 361 S C 2.260 176.652 174.600 -0.345 0.000 1.021 361 S CA 1.064 58.807 58.200 -0.762 0.000 0.974 361 S CB -1.370 60.843 63.200 -1.645 0.000 0.800 361 S HN 0.124 nan 8.310 nan 0.000 0.484 362 A N 2.287 124.994 122.820 -0.189 0.000 1.902 362 A HA -0.029 4.291 4.320 -0.001 0.000 0.217 362 A C 2.267 179.861 177.584 0.017 0.000 1.181 362 A CA 1.566 53.592 52.037 -0.018 0.000 0.623 362 A CB -0.589 18.437 19.000 0.043 0.000 0.818 362 A HN 0.594 nan 8.150 nan 0.000 0.443 363 K N -0.337 120.013 120.400 -0.083 0.000 2.148 363 K HA 0.016 4.335 4.320 -0.001 0.000 0.204 363 K C 2.254 178.806 176.600 -0.080 0.000 1.050 363 K CA 0.953 57.133 56.287 -0.178 0.000 0.942 363 K CB -0.269 31.872 32.500 -0.600 0.000 0.724 363 K HN 0.444 nan 8.250 nan 0.000 0.446 364 A N 1.374 124.166 122.820 -0.047 0.000 1.898 364 A HA -0.111 4.208 4.320 -0.001 0.000 0.216 364 A C 2.064 179.702 177.584 0.090 0.000 1.181 364 A CA 1.167 53.230 52.037 0.044 0.000 0.620 364 A CB -0.584 18.479 19.000 0.105 0.000 0.819 364 A HN 0.145 nan 8.150 nan 0.000 0.442 365 L N -0.840 120.435 121.223 0.086 0.000 2.141 365 L HA -0.160 4.179 4.340 -0.001 0.000 0.209 365 L C 3.054 180.019 176.870 0.159 0.000 1.094 365 L CA 0.902 55.854 54.840 0.187 0.000 0.763 365 L CB -0.693 41.494 42.059 0.213 0.000 0.908 365 L HN 0.446 nan 8.230 nan 0.000 0.437 366 A N 0.154 122.972 122.820 -0.003 0.000 1.877 366 A HA -0.197 4.123 4.320 -0.001 0.000 0.216 366 A C 2.392 179.891 177.584 -0.140 0.000 1.186 366 A CA 2.360 54.197 52.037 -0.333 0.000 0.620 366 A CB -0.916 17.540 19.000 -0.907 0.000 0.822 366 A HN 0.373 nan 8.150 nan 0.000 0.443 367 T N 0.820 115.369 114.554 -0.009 0.000 2.684 367 T HA -0.136 4.214 4.350 -0.001 0.000 0.267 367 T C 1.830 176.564 174.700 0.056 0.000 1.036 367 T CA 1.578 63.692 62.100 0.023 0.000 1.148 367 T CB -0.483 68.432 68.868 0.078 0.000 0.863 367 T HN 0.384 nan 8.240 nan 0.000 0.436 368 L N 0.734 122.049 121.223 0.153 0.000 2.012 368 L HA -0.141 4.199 4.340 -0.001 0.000 0.210 368 L C 2.967 179.837 176.870 0.001 0.000 1.073 368 L CA 1.445 56.408 54.840 0.205 0.000 0.748 368 L CB -1.477 40.829 42.059 0.411 0.000 0.891 368 L HN 0.291 nan 8.230 nan 0.000 0.431 369 T N 0.384 115.020 114.554 0.137 0.000 2.720 369 T HA -0.143 4.207 4.350 -0.001 0.000 0.268 369 T C 1.787 176.525 174.700 0.062 0.000 1.037 369 T CA 1.072 63.295 62.100 0.204 0.000 1.144 369 T CB -0.087 69.011 68.868 0.383 0.000 0.864 369 T HN 0.092 nan 8.240 nan 0.000 0.444 370 L N 1.672 122.908 121.223 0.021 0.000 2.558 370 L HA 0.123 4.463 4.340 -0.001 0.000 0.225 370 L C 1.990 178.825 176.870 -0.058 0.000 1.128 370 L CA 1.199 56.031 54.840 -0.015 0.000 0.868 370 L CB -1.152 40.873 42.059 -0.057 0.000 1.006 370 L HN 0.475 nan 8.230 nan 0.000 0.454 371 T N -4.404 110.114 114.554 -0.061 0.000 3.228 371 T HA 0.234 4.583 4.350 -0.001 0.000 0.278 371 T C 0.656 175.350 174.700 -0.010 0.000 1.014 371 T CA -0.428 61.662 62.100 -0.018 0.000 0.904 371 T CB 0.610 69.497 68.868 0.033 0.000 1.110 371 T HN -0.022 nan 8.240 nan 0.000 0.541 372 Q N 1.577 121.244 119.800 -0.222 0.000 2.221 372 Q HA 0.357 4.696 4.340 -0.001 0.000 0.242 372 Q C -0.127 175.709 176.000 -0.273 0.000 0.940 372 Q CA -0.585 54.968 55.803 -0.417 0.000 0.896 372 Q CB 1.798 30.000 28.738 -0.893 0.000 1.226 372 Q HN 0.362 nan 8.270 nan 0.000 0.463 373 R N 0.697 121.003 120.500 -0.323 0.000 3.268 373 R HA 0.421 4.760 4.340 -0.001 0.000 0.217 373 R C -1.073 174.883 176.300 -0.573 0.000 1.568 373 R CA 0.173 56.113 56.100 -0.267 0.000 1.322 373 R CB -0.572 29.613 30.300 -0.191 0.000 1.280 373 R HN 0.595 nan 8.270 nan 0.000 0.667 374 A N 0.969 123.546 122.820 -0.405 0.000 2.515 374 A HA 0.297 4.616 4.320 -0.001 0.000 0.292 374 A C -0.991 176.673 177.584 0.133 0.000 1.065 374 A CA -0.802 50.934 52.037 -0.501 0.000 0.641 374 A CB 1.238 19.986 19.000 -0.421 0.000 1.306 374 A HN 0.313 nan 8.150 nan 0.000 0.441 375 T N 3.645 118.427 114.554 0.380 0.000 2.737 375 T HA 0.542 4.891 4.350 -0.001 0.000 0.296 375 T C -2.491 172.454 174.700 0.408 0.000 0.922 375 T CA -0.526 61.873 62.100 0.498 0.000 1.079 375 T CB 0.565 69.811 68.868 0.630 0.000 0.892 375 T HN 0.471 nan 8.240 nan 0.000 0.514 376 P HA 0.414 nan 4.420 nan 0.000 0.284 376 P C -1.125 176.389 177.300 0.357 0.000 1.253 376 P CA -0.614 62.708 63.100 0.370 0.000 0.800 376 P CB 0.676 32.537 31.700 0.268 0.000 0.961 377 F N 2.198 122.352 119.950 0.339 0.000 2.477 377 F HA 0.440 4.967 4.527 -0.001 0.000 0.335 377 F C 0.534 176.511 175.800 0.294 0.000 1.130 377 F CA -0.654 57.549 58.000 0.339 0.000 0.948 377 F CB 1.312 40.454 39.000 0.237 0.000 1.154 377 F HN 0.088 nan 8.300 nan 0.000 0.439 378 I N 4.377 125.156 120.570 0.347 0.000 2.336 378 I HA 0.164 4.334 4.170 -0.001 0.000 0.292 378 I C -0.873 175.231 176.117 -0.022 0.000 0.991 378 I CA -0.988 60.434 61.300 0.204 0.000 1.227 378 I CB 1.082 39.192 38.000 0.182 0.000 1.366 378 I HN 0.467 nan 8.210 nan 0.000 0.466 379 Y N 6.621 126.850 120.300 -0.118 0.000 2.313 379 Y HA 0.189 4.739 4.550 -0.000 0.000 0.332 379 Y C 0.359 176.074 175.900 -0.308 0.000 1.071 379 Y CA -0.908 57.063 58.100 -0.215 0.000 1.169 379 Y CB 0.832 39.249 38.460 -0.070 0.000 1.192 379 Y HN 0.580 nan 8.280 nan 0.000 0.487 380 Q N 4.342 123.486 119.800 -1.093 0.000 2.368 380 Q HA 0.199 4.538 4.340 -0.001 0.000 0.331 380 Q C 0.966 176.907 176.000 -0.099 0.000 1.086 380 Q CA 0.941 56.470 55.803 -0.457 0.000 1.031 380 Q CB -0.037 28.626 28.738 -0.125 0.000 1.125 380 Q HN 1.117 nan 8.270 nan 0.000 0.389 381 G N 2.065 110.990 108.800 0.209 0.000 2.299 381 G HA2 -0.356 3.603 3.960 -0.001 0.000 0.237 381 G HA3 -0.356 3.603 3.960 -0.001 0.000 0.237 381 G C 0.989 175.830 174.900 -0.098 0.000 1.027 381 G CA 0.285 45.248 45.100 -0.229 0.000 0.619 381 G HN 0.606 nan 8.290 nan 0.000 0.513 382 S N 1.312 117.005 115.700 -0.012 0.000 2.515 382 S HA 0.018 4.488 4.470 -0.001 0.000 0.231 382 S C 1.984 176.516 174.600 -0.113 0.000 0.987 382 S CA 1.435 59.647 58.200 0.020 0.000 0.936 382 S CB -0.131 63.145 63.200 0.127 0.000 0.766 382 S HN 0.838 nan 8.310 nan 0.000 0.528 383 E N 1.267 121.326 120.200 -0.234 0.000 2.482 383 E HA -0.007 4.343 4.350 -0.001 0.000 0.196 383 E C 1.190 177.806 176.600 0.027 0.000 1.047 383 E CA 0.511 56.611 56.400 -0.501 0.000 0.869 383 E CB -0.200 29.325 29.700 -0.291 0.000 0.836 383 E HN 0.479 nan 8.360 nan 0.000 0.520 384 L N -0.380 120.878 121.223 0.060 0.000 2.664 384 L HA 0.333 4.672 4.340 -0.001 0.000 0.233 384 L C 1.151 178.054 176.870 0.054 0.000 1.113 384 L CA 0.250 55.142 54.840 0.086 0.000 0.896 384 L CB 0.338 42.360 42.059 -0.061 0.000 1.163 384 L HN 0.277 nan 8.230 nan 0.000 0.497 385 G N 1.080 109.914 108.800 0.057 0.000 2.171 385 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.238 385 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.238 385 G C 0.223 175.125 174.900 0.003 0.000 1.039 385 G CA -0.153 44.980 45.100 0.056 0.000 0.759 385 G HN 0.175 nan 8.290 nan 0.000 0.501 386 M N 0.912 120.492 119.600 -0.033 0.000 2.250 386 M HA 0.374 4.854 4.480 -0.001 0.000 0.325 386 M C 1.408 177.706 176.300 -0.003 0.000 1.084 386 M CA 1.429 56.694 55.300 -0.057 0.000 1.161 386 M CB 0.459 32.990 32.600 -0.115 0.000 1.481 386 M HN 0.588 nan 8.290 nan 0.000 0.449 387 T N -0.792 113.755 114.554 -0.011 0.000 2.905 387 T HA 0.461 4.810 4.350 -0.001 0.000 0.283 387 T C 0.024 174.741 174.700 0.028 0.000 1.031 387 T CA -1.227 60.879 62.100 0.010 0.000 1.002 387 T CB 0.827 69.684 68.868 -0.019 0.000 1.200 387 T HN 0.542 nan 8.240 nan 0.000 0.560 388 N N 0.234 118.960 118.700 0.043 0.000 2.381 388 N HA 0.171 4.910 4.740 -0.001 0.000 0.241 388 N C -1.062 174.460 175.510 0.021 0.000 1.279 388 N CA -0.131 52.969 53.050 0.084 0.000 0.896 388 N CB -0.134 38.410 38.487 0.096 0.000 1.118 388 N HN 0.715 nan 8.380 nan 0.000 0.438 389 Y N 1.978 122.188 120.300 -0.151 0.000 2.323 389 Y HA 0.329 4.879 4.550 -0.001 0.000 0.331 389 Y C -1.900 173.668 175.900 -0.553 0.000 1.092 389 Y CA -2.179 55.635 58.100 -0.477 0.000 1.150 389 Y CB 1.315 39.263 38.460 -0.853 0.000 1.200 389 Y HN 0.436 nan 8.280 nan 0.000 0.472 390 P HA 0.047 nan 4.420 nan 0.000 0.235 390 P C -1.067 175.948 177.300 -0.475 0.000 1.765 390 P CA 0.260 63.027 63.100 -0.554 0.000 1.034 390 P CB -1.003 30.390 31.700 -0.511 0.000 1.984 391 F N 1.955 121.860 119.950 -0.075 0.000 2.529 391 F HA 0.073 4.600 4.527 -0.001 0.000 0.365 391 F C 1.795 177.566 175.800 -0.047 0.000 1.102 391 F CA 0.366 58.295 58.000 -0.118 0.000 1.271 391 F CB 0.503 39.188 39.000 -0.526 0.000 1.120 391 F HN 0.019 nan 8.300 nan 0.000 0.579 392 K N 2.258 122.741 120.400 0.138 0.000 2.323 392 K HA 0.381 4.701 4.320 -0.001 0.000 0.232 392 K C 0.500 177.206 176.600 0.176 0.000 1.068 392 K CA 0.360 56.721 56.287 0.124 0.000 0.892 392 K CB -0.572 31.960 32.500 0.054 0.000 1.207 392 K HN 0.545 nan 8.250 nan 0.000 0.456 393 A N 1.459 124.361 122.820 0.137 0.000 2.304 393 A HA 0.261 4.580 4.320 -0.001 0.000 0.271 393 A C 1.220 178.899 177.584 0.160 0.000 1.091 393 A CA -0.306 51.805 52.037 0.123 0.000 0.812 393 A CB 0.277 19.318 19.000 0.069 0.000 1.056 393 A HN 0.280 nan 8.150 nan 0.000 0.489 394 I N 0.548 121.141 120.570 0.038 0.000 2.335 394 I HA -0.189 3.981 4.170 -0.001 0.000 0.251 394 I C 1.605 177.729 176.117 0.011 0.000 1.129 394 I CA 2.278 63.532 61.300 -0.077 0.000 1.402 394 I CB -0.313 37.145 38.000 -0.903 0.000 1.069 394 I HN 0.741 nan 8.210 nan 0.000 0.424 395 D N -0.355 120.027 120.400 -0.031 0.000 2.378 395 D HA -0.158 4.482 4.640 -0.001 0.000 0.227 395 D C 1.477 177.826 176.300 0.081 0.000 1.012 395 D CA 0.629 54.632 54.000 0.005 0.000 0.905 395 D CB -0.668 40.125 40.800 -0.012 0.000 0.895 395 D HN 0.541 nan 8.370 nan 0.000 0.532 396 E N -0.969 119.300 120.200 0.114 0.000 2.442 396 E HA 0.083 4.432 4.350 -0.001 0.000 0.195 396 E C -0.147 176.521 176.600 0.113 0.000 1.030 396 E CA -0.126 56.331 56.400 0.096 0.000 0.869 396 E CB 0.156 29.917 29.700 0.102 0.000 0.857 396 E HN 0.247 nan 8.360 nan 0.000 0.505 397 F N 0.322 120.323 119.950 0.084 0.000 2.371 397 F HA 0.095 4.622 4.527 -0.001 0.000 0.329 397 F C 1.327 177.152 175.800 0.042 0.000 1.107 397 F CA -0.168 57.823 58.000 -0.014 0.000 1.137 397 F CB 0.972 39.845 39.000 -0.211 0.000 1.214 397 F HN -0.158 nan 8.300 nan 0.000 0.536 398 D N -0.306 120.174 120.400 0.133 0.000 2.431 398 D HA -0.062 4.577 4.640 -0.001 0.000 0.227 398 D C 0.033 176.314 176.300 -0.031 0.000 1.030 398 D CA 0.025 53.992 54.000 -0.054 0.000 0.897 398 D CB 0.063 40.569 40.800 -0.489 0.000 1.058 398 D HN 0.423 nan 8.370 nan 0.000 0.500 399 D N 0.538 120.922 120.400 -0.027 0.000 2.520 399 D HA -0.109 4.530 4.640 -0.001 0.000 0.243 399 D C 1.232 177.457 176.300 -0.125 0.000 1.160 399 D CA -0.027 53.935 54.000 -0.062 0.000 0.877 399 D CB 0.591 41.364 40.800 -0.045 0.000 1.150 399 D HN 0.173 nan 8.370 nan 0.000 0.494 400 I N 3.960 124.410 120.570 -0.201 0.000 2.361 400 I HA -0.178 3.992 4.170 -0.001 0.000 0.251 400 I C 1.897 177.750 176.117 -0.440 0.000 1.133 400 I CA 1.488 62.624 61.300 -0.273 0.000 1.413 400 I CB -0.191 37.633 38.000 -0.293 0.000 1.073 400 I HN 0.640 nan 8.210 nan 0.000 0.424 401 E N -0.352 119.469 120.200 -0.631 0.000 2.077 401 E HA -0.207 4.143 4.350 -0.001 0.000 0.193 401 E C 2.295 178.723 176.600 -0.287 0.000 0.989 401 E CA 1.506 57.534 56.400 -0.620 0.000 0.800 401 E CB -0.141 29.308 29.700 -0.417 0.000 0.746 401 E HN 0.372 nan 8.360 nan 0.000 0.452 402 V N 1.090 120.947 119.914 -0.095 0.000 2.515 402 V HA -0.218 3.902 4.120 -0.001 0.000 0.250 402 V C 1.976 178.146 176.094 0.127 0.000 1.058 402 V CA 1.804 64.155 62.300 0.085 0.000 1.064 402 V CB -0.246 31.481 31.823 -0.159 0.000 0.675 402 V HN 0.240 nan 8.190 nan 0.000 0.461 403 K N -0.202 120.202 120.400 0.007 0.000 2.097 403 K HA -0.066 4.253 4.320 -0.001 0.000 0.205 403 K C 2.149 178.838 176.600 0.147 0.000 1.050 403 K CA 1.308 57.629 56.287 0.057 0.000 0.938 403 K CB -0.628 31.867 32.500 -0.008 0.000 0.718 403 K HN 0.578 nan 8.250 nan 0.000 0.442 404 G N 1.091 109.920 108.800 0.048 0.000 2.421 404 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.216 404 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.216 404 G C 1.216 176.258 174.900 0.238 0.000 1.171 404 G CA 0.585 45.739 45.100 0.090 0.000 0.775 404 G HN 0.093 nan 8.290 nan 0.000 0.543 405 F N -0.139 120.012 119.950 0.336 0.000 2.134 405 F HA 0.045 4.572 4.527 -0.000 0.000 0.299 405 F C 2.399 178.287 175.800 0.146 0.000 1.097 405 F CA 0.144 58.397 58.000 0.422 0.000 1.264 405 F CB -0.820 38.465 39.000 0.476 0.000 1.001 405 F HN 0.307 nan 8.300 nan 0.000 0.479 406 W N 0.698 121.961 121.300 -0.062 0.000 2.335 406 W HA -0.327 4.333 4.660 -0.000 0.000 0.311 406 W C 2.568 178.918 176.519 -0.282 0.000 1.213 406 W CA 2.402 59.388 57.345 -0.599 0.000 1.274 406 W CB -0.991 28.228 29.460 -0.402 0.000 1.148 406 W HN 0.228 nan 8.180 nan 0.000 0.498 407 H N 0.671 119.760 119.070 0.031 0.000 2.293 407 H HA -0.155 4.400 4.556 -0.000 0.000 0.300 407 H C 1.818 177.055 175.328 -0.151 0.000 1.082 407 H CA 2.742 58.752 56.048 -0.063 0.000 1.308 407 H CB -0.578 29.214 29.762 0.050 0.000 1.375 407 H HN -0.085 nan 8.280 nan 0.000 0.495 408 D N -0.938 119.421 120.400 -0.069 0.000 2.218 408 D HA -0.136 4.504 4.640 -0.001 0.000 0.204 408 D C 1.202 177.191 176.300 -0.519 0.000 0.976 408 D CA 1.255 55.098 54.000 -0.261 0.000 0.853 408 D CB -0.059 40.663 40.800 -0.131 0.000 0.939 408 D HN 0.536 nan 8.370 nan 0.000 0.481 409 Y N -1.130 119.043 120.300 -0.212 0.000 2.581 409 Y HA 0.128 4.678 4.550 -0.001 0.000 0.271 409 Y C 2.127 177.759 175.900 -0.447 0.000 1.100 409 Y CA 0.025 57.981 58.100 -0.240 0.000 1.281 409 Y CB 0.394 38.758 38.460 -0.160 0.000 1.237 409 Y HN -0.197 nan 8.280 nan 0.000 0.514 410 V N -0.474 119.051 119.914 -0.649 0.000 2.581 410 V HA -0.072 4.047 4.120 -0.001 0.000 0.240 410 V C 1.619 177.262 176.094 -0.753 0.000 1.054 410 V CA 1.208 62.980 62.300 -0.881 0.000 1.076 410 V CB -0.246 30.540 31.823 -1.728 0.000 0.748 410 V HN 0.227 nan 8.190 nan 0.000 0.474 411 E N 1.006 120.723 120.200 -0.804 0.000 2.338 411 E HA -0.149 4.201 4.350 -0.001 0.000 0.197 411 E C 2.007 178.374 176.600 -0.389 0.000 1.007 411 E CA 1.614 57.700 56.400 -0.524 0.000 0.849 411 E CB -0.113 29.343 29.700 -0.407 0.000 0.774 411 E HN 0.791 nan 8.360 nan 0.000 0.506 412 T N -3.355 110.955 114.554 -0.406 0.000 3.081 412 T HA 0.222 4.572 4.350 -0.001 0.000 0.250 412 T C 1.543 176.117 174.700 -0.209 0.000 1.100 412 T CA 0.357 62.282 62.100 -0.291 0.000 1.038 412 T CB 0.557 69.247 68.868 -0.298 0.000 0.962 412 T HN 0.217 nan 8.240 nan 0.000 0.516 413 G N 1.809 110.471 108.800 -0.229 0.000 2.148 413 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.254 413 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.254 413 G C 0.832 175.670 174.900 -0.104 0.000 0.981 413 G CA 0.543 45.547 45.100 -0.159 0.000 0.670 413 G HN 0.548 nan 8.290 nan 0.000 0.528 414 K N -1.003 119.339 120.400 -0.097 0.000 2.103 414 K HA 0.230 4.550 4.320 -0.001 0.000 0.204 414 K C 0.887 177.524 176.600 0.061 0.000 1.052 414 K CA 1.444 57.733 56.287 0.002 0.000 0.945 414 K CB 0.260 32.794 32.500 0.056 0.000 0.722 414 K HN 0.349 nan 8.250 nan 0.000 0.443 415 V N 1.882 121.814 119.914 0.029 0.000 2.789 415 V HA 0.167 4.286 4.120 -0.001 0.000 0.311 415 V C -0.366 175.699 176.094 -0.048 0.000 1.073 415 V CA -1.209 61.128 62.300 0.062 0.000 0.921 415 V CB 2.083 34.003 31.823 0.162 0.000 1.009 415 V HN 0.046 nan 8.190 nan 0.000 0.426 416 K N 1.895 122.298 120.400 0.005 0.000 2.382 416 K HA 0.297 4.616 4.320 -0.001 0.000 0.275 416 K C 1.321 177.917 176.600 -0.007 0.000 1.009 416 K CA 0.461 56.740 56.287 -0.013 0.000 0.970 416 K CB 1.312 33.834 32.500 0.035 0.000 0.934 416 K HN 0.843 nan 8.250 nan 0.000 0.479 417 A N 3.461 126.260 122.820 -0.035 0.000 1.908 417 A HA -0.252 4.068 4.320 -0.001 0.000 0.218 417 A C 1.620 179.340 177.584 0.226 0.000 1.181 417 A CA 2.272 54.353 52.037 0.074 0.000 0.627 417 A CB -0.501 18.593 19.000 0.156 0.000 0.818 417 A HN 0.881 nan 8.150 nan 0.000 0.445 418 D N -0.103 120.394 120.400 0.163 0.000 2.097 418 D HA -0.243 4.397 4.640 -0.001 0.000 0.195 418 D C 1.753 178.152 176.300 0.165 0.000 0.989 418 D CA 1.581 55.679 54.000 0.163 0.000 0.827 418 D CB -0.843 40.027 40.800 0.117 0.000 0.966 418 D HN 0.697 nan 8.370 nan 0.000 0.456 419 E N -0.806 119.485 120.200 0.151 0.000 2.110 419 E HA -0.190 4.159 4.350 -0.001 0.000 0.193 419 E C 1.882 178.597 176.600 0.191 0.000 0.988 419 E CA 0.486 56.983 56.400 0.161 0.000 0.804 419 E CB -0.363 29.435 29.700 0.163 0.000 0.745 419 E HN 0.309 nan 8.360 nan 0.000 0.458 420 F N 1.253 121.201 119.950 -0.004 0.000 2.075 420 F HA -0.179 4.348 4.527 -0.001 0.000 0.297 420 F C 1.932 177.731 175.800 -0.003 0.000 1.113 420 F CA 1.584 59.474 58.000 -0.185 0.000 1.218 420 F CB -0.265 38.548 39.000 -0.312 0.000 0.984 420 F HN 0.003 nan 8.300 nan 0.000 0.472 421 L N 0.130 121.506 121.223 0.254 0.000 2.079 421 L HA -0.256 4.084 4.340 -0.001 0.000 0.210 421 L C 2.674 179.614 176.870 0.117 0.000 1.081 421 L CA 1.599 56.564 54.840 0.208 0.000 0.752 421 L CB -0.923 41.326 42.059 0.317 0.000 0.896 421 L HN 0.316 nan 8.230 nan 0.000 0.433 422 Q N 0.373 120.242 119.800 0.115 0.000 2.135 422 Q HA -0.223 4.116 4.340 -0.001 0.000 0.204 422 Q C 1.778 177.815 176.000 0.062 0.000 0.981 422 Q CA 1.637 57.498 55.803 0.096 0.000 0.856 422 Q CB -0.061 28.734 28.738 0.094 0.000 0.902 422 Q HN 0.607 nan 8.270 nan 0.000 0.425 423 N N -0.122 118.596 118.700 0.030 0.000 2.220 423 N HA -0.102 4.638 4.740 -0.001 0.000 0.182 423 N C 1.933 177.404 175.510 -0.066 0.000 1.023 423 N CA 1.547 54.602 53.050 0.007 0.000 0.856 423 N CB 0.022 38.588 38.487 0.132 0.000 0.997 423 N HN 0.281 nan 8.380 nan 0.000 0.429 424 V N -0.383 119.400 119.914 -0.217 0.000 2.759 424 V HA -0.013 4.107 4.120 -0.001 0.000 0.256 424 V C 2.080 178.185 176.094 0.019 0.000 1.080 424 V CA 1.056 63.212 62.300 -0.240 0.000 1.101 424 V CB -0.627 30.828 31.823 -0.612 0.000 0.698 424 V HN 0.079 nan 8.190 nan 0.000 0.477 425 R N -0.002 120.588 120.500 0.149 0.000 2.120 425 R HA 0.130 4.470 4.340 -0.001 0.000 0.234 425 R C 2.164 178.578 176.300 0.190 0.000 1.123 425 R CA 1.711 57.995 56.100 0.306 0.000 0.975 425 R CB -0.309 30.149 30.300 0.262 0.000 0.866 425 R HN 0.501 nan 8.270 nan 0.000 0.446 426 L N -0.867 120.400 121.223 0.074 0.000 2.416 426 L HA 0.030 4.369 4.340 -0.001 0.000 0.216 426 L C 1.899 178.715 176.870 -0.090 0.000 1.098 426 L CA 1.023 55.861 54.840 -0.004 0.000 0.840 426 L CB 0.120 42.164 42.059 -0.026 0.000 0.981 426 L HN 0.281 nan 8.230 nan 0.000 0.462 427 T N -5.603 108.911 114.554 -0.067 0.000 2.975 427 T HA 0.080 4.430 4.350 -0.001 0.000 0.257 427 T C 0.910 175.594 174.700 -0.027 0.000 1.003 427 T CA -0.154 61.886 62.100 -0.099 0.000 0.932 427 T CB 0.229 69.034 68.868 -0.106 0.000 1.087 427 T HN 0.025 nan 8.240 nan 0.000 0.512 428 S N 1.119 116.833 115.700 0.023 0.000 2.549 428 S HA 0.165 4.634 4.470 -0.001 0.000 0.286 428 S C 1.432 176.072 174.600 0.067 0.000 1.314 428 S CA -0.546 57.687 58.200 0.054 0.000 1.062 428 S CB 0.582 63.849 63.200 0.112 0.000 0.865 428 S HN 0.507 nan 8.310 nan 0.000 0.498 429 R N 2.646 123.172 120.500 0.043 0.000 2.152 429 R HA -0.052 4.288 4.340 -0.001 0.000 0.232 429 R C 1.216 177.547 176.300 0.052 0.000 1.117 429 R CA 1.429 57.528 56.100 -0.002 0.000 0.981 429 R CB -0.229 30.048 30.300 -0.039 0.000 0.870 429 R HN 0.589 nan 8.270 nan 0.000 0.451 430 D N 0.553 121.030 120.400 0.129 0.000 2.263 430 D HA -0.112 4.527 4.640 -0.001 0.000 0.208 430 D C 1.235 177.779 176.300 0.407 0.000 0.971 430 D CA 0.768 54.928 54.000 0.266 0.000 0.867 430 D CB -0.262 40.703 40.800 0.275 0.000 0.929 430 D HN 0.206 nan 8.370 nan 0.000 0.492 431 N N -0.045 118.863 118.700 0.347 0.000 2.348 431 N HA -0.076 4.664 4.740 -0.001 0.000 0.185 431 N C 1.032 176.669 175.510 0.213 0.000 1.019 431 N CA 0.626 53.891 53.050 0.358 0.000 0.880 431 N CB 0.113 38.758 38.487 0.265 0.000 0.965 431 N HN 0.002 nan 8.380 nan 0.000 0.437 432 S N -0.241 115.545 115.700 0.143 0.000 2.554 432 S HA 0.239 4.708 4.470 -0.001 0.000 0.226 432 S C 1.231 175.942 174.600 0.184 0.000 0.980 432 S CA -0.318 57.964 58.200 0.138 0.000 0.939 432 S CB 0.695 63.839 63.200 -0.094 0.000 0.832 432 S HN 0.265 nan 8.310 nan 0.000 0.486 433 R N 1.665 122.267 120.500 0.169 0.000 2.362 433 R HA 0.099 4.438 4.340 -0.001 0.000 0.227 433 R C 0.601 177.096 176.300 0.325 0.000 0.905 433 R CA 0.106 56.327 56.100 0.202 0.000 1.067 433 R CB 0.223 30.642 30.300 0.199 0.000 1.078 433 R HN 0.347 nan 8.270 nan 0.000 0.516 434 T N -0.009 114.643 114.554 0.164 0.000 2.918 434 T HA 0.204 4.553 4.350 -0.001 0.000 0.302 434 T C -2.402 172.235 174.700 -0.105 0.000 1.045 434 T CA -1.750 60.296 62.100 -0.089 0.000 1.114 434 T CB 1.018 69.726 68.868 -0.267 0.000 0.965 434 T HN -0.201 nan 8.240 nan 0.000 0.540 435 P HA 0.053 nan 4.420 nan 0.000 0.261 435 P C -0.312 176.835 177.300 -0.255 0.000 1.173 435 P CA -0.227 62.555 63.100 -0.531 0.000 0.760 435 P CB 0.012 31.105 31.700 -1.011 0.000 0.783 436 F N 3.602 123.391 119.950 -0.269 0.000 2.608 436 F HA -0.044 4.483 4.527 -0.001 0.000 0.380 436 F C 0.748 176.298 175.800 -0.417 0.000 1.083 436 F CA 0.409 58.219 58.000 -0.318 0.000 1.266 436 F CB 0.227 38.991 39.000 -0.393 0.000 1.076 436 F HN 0.310 nan 8.300 nan 0.000 0.574 437 Q N 6.306 125.704 119.800 -0.671 0.000 2.490 437 Q HA 0.043 4.383 4.340 -0.001 0.000 0.226 437 Q C -0.023 175.809 176.000 -0.279 0.000 1.132 437 Q CA -0.071 55.527 55.803 -0.342 0.000 0.928 437 Q CB 0.336 28.930 28.738 -0.241 0.000 1.299 437 Q HN 0.902 nan 8.270 nan 0.000 0.528 438 W N 1.731 123.131 121.300 0.165 0.000 2.407 438 W HA -0.121 4.539 4.660 -0.000 0.000 0.305 438 W C 0.706 177.243 176.519 0.031 0.000 1.196 438 W CA 0.771 58.188 57.345 0.120 0.000 1.311 438 W CB 0.414 29.887 29.460 0.022 0.000 1.135 438 W HN 0.596 nan 8.180 nan 0.000 0.514 439 D N -3.876 116.683 120.400 0.265 0.000 2.921 439 D HA 0.267 4.906 4.640 -0.001 0.000 0.329 439 D C 0.828 177.267 176.300 0.232 0.000 1.293 439 D CA -0.282 53.829 54.000 0.186 0.000 0.964 439 D CB 0.141 41.025 40.800 0.139 0.000 1.435 439 D HN -0.144 nan 8.370 nan 0.000 0.548 440 G N -0.899 108.015 108.800 0.190 0.000 3.088 440 G HA2 0.266 4.226 3.960 -0.001 0.000 0.212 440 G HA3 0.266 4.226 3.960 -0.001 0.000 0.212 440 G C 0.509 175.577 174.900 0.280 0.000 1.173 440 G CA 0.484 45.730 45.100 0.242 0.000 0.779 440 G HN 0.628 nan 8.290 nan 0.000 0.540 441 S N -0.567 115.250 115.700 0.194 0.000 2.641 441 S HA 0.348 4.818 4.470 -0.001 0.000 0.261 441 S C 0.385 175.055 174.600 0.115 0.000 1.257 441 S CA -0.680 57.598 58.200 0.130 0.000 0.983 441 S CB 1.198 64.437 63.200 0.065 0.000 0.990 441 S HN 0.166 nan 8.310 nan 0.000 0.572 442 K N 0.686 121.124 120.400 0.064 0.000 2.511 442 K HA -0.076 4.244 4.320 -0.001 0.000 0.280 442 K C -0.144 176.404 176.600 -0.086 0.000 1.008 442 K CA 0.909 57.208 56.287 0.020 0.000 1.050 442 K CB -0.713 31.799 32.500 0.021 0.000 0.889 442 K HN 0.779 nan 8.250 nan 0.000 0.484 443 N N 2.701 121.262 118.700 -0.231 0.000 2.725 443 N HA -0.295 4.445 4.740 -0.001 0.000 0.249 443 N C -0.130 175.174 175.510 -0.342 0.000 1.103 443 N CA 0.341 53.215 53.050 -0.294 0.000 0.707 443 N CB -0.997 37.471 38.487 -0.033 0.000 1.043 443 N HN 0.820 nan 8.380 nan 0.000 0.553 444 A N -1.607 120.808 122.820 -0.674 0.000 2.790 444 A HA -0.093 4.227 4.320 -0.001 0.000 0.277 444 A C 1.797 179.431 177.584 0.082 0.000 1.435 444 A CA 1.885 53.745 52.037 -0.294 0.000 0.877 444 A CB -2.027 16.791 19.000 -0.304 0.000 1.007 444 A HN 1.967 nan 8.150 nan 0.000 0.613 445 G N -3.183 105.660 108.800 0.071 0.000 2.155 445 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.257 445 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.257 445 G C 0.636 175.650 174.900 0.189 0.000 0.983 445 G CA 1.152 46.320 45.100 0.113 0.000 0.676 445 G HN 1.943 nan 8.290 nan 0.000 0.528 446 F N 1.103 121.135 119.950 0.136 0.000 2.206 446 F HA 0.381 4.907 4.527 -0.000 0.000 0.298 446 F C 1.187 177.038 175.800 0.086 0.000 1.090 446 F CA 2.175 60.300 58.000 0.208 0.000 1.323 446 F CB 0.340 39.449 39.000 0.182 0.000 1.028 446 F HN 0.382 nan 8.300 nan 0.000 0.492 447 T N -1.648 112.809 114.554 -0.162 0.000 2.840 447 T HA 0.328 4.678 4.350 -0.001 0.000 0.317 447 T C 0.469 175.115 174.700 -0.088 0.000 1.401 447 T CA -0.097 61.846 62.100 -0.262 0.000 1.028 447 T CB 1.188 69.899 68.868 -0.263 0.000 1.317 447 T HN 0.070 nan 8.240 nan 0.000 0.495 448 S N 0.970 116.616 115.700 -0.091 0.000 2.524 448 S HA 0.359 4.828 4.470 -0.001 0.000 0.216 448 S C 1.208 175.796 174.600 -0.020 0.000 0.987 448 S CA 0.380 58.551 58.200 -0.049 0.000 0.909 448 S CB 0.043 63.209 63.200 -0.056 0.000 0.781 448 S HN 0.936 nan 8.310 nan 0.000 0.521 449 G N 1.248 110.040 108.800 -0.012 0.000 3.075 449 G HA2 0.470 4.429 3.960 -0.001 0.000 0.156 449 G HA3 0.470 4.429 3.960 -0.001 0.000 0.156 449 G C -0.874 174.057 174.900 0.052 0.000 1.403 449 G CA -0.890 44.222 45.100 0.020 0.000 1.033 449 G HN 0.380 nan 8.290 nan 0.000 0.589 450 K N 1.118 121.567 120.400 0.081 0.000 2.307 450 K HA 0.457 4.776 4.320 -0.001 0.000 0.263 450 K C -2.618 174.086 176.600 0.174 0.000 0.973 450 K CA -1.627 54.721 56.287 0.101 0.000 0.846 450 K CB 1.823 34.372 32.500 0.082 0.000 1.100 450 K HN 0.026 nan 8.250 nan 0.000 0.438 451 P HA -0.108 nan 4.420 nan 0.000 0.265 451 P C 0.482 177.929 177.300 0.243 0.000 1.187 451 P CA -0.191 63.092 63.100 0.305 0.000 0.766 451 P CB 0.217 31.993 31.700 0.127 0.000 0.820 452 W N 3.516 124.986 121.300 0.283 0.000 2.392 452 W HA 0.018 4.678 4.660 -0.001 0.000 0.279 452 W C -0.653 176.035 176.519 0.282 0.000 1.225 452 W CA 0.655 58.139 57.345 0.231 0.000 1.233 452 W CB -0.689 28.907 29.460 0.226 0.000 1.122 452 W HN 0.153 nan 8.180 nan 0.000 0.561 453 F N 1.984 121.339 119.950 -0.992 0.000 2.569 453 F HA 0.511 5.038 4.527 -0.001 0.000 0.312 453 F C 0.473 175.883 175.800 -0.650 0.000 1.109 453 F CA -1.735 55.624 58.000 -1.069 0.000 0.919 453 F CB 0.852 38.708 39.000 -1.907 0.000 1.211 453 F HN -0.127 nan 8.300 nan 0.000 0.446 454 K N 3.674 123.641 120.400 -0.721 0.000 2.524 454 K HA 0.463 4.783 4.320 -0.001 0.000 0.279 454 K C -0.584 175.673 176.600 -0.572 0.000 0.993 454 K CA 0.004 55.953 56.287 -0.564 0.000 1.030 454 K CB -0.343 31.859 32.500 -0.496 0.000 0.891 454 K HN 0.556 nan 8.250 nan 0.000 0.488 455 V N 3.231 122.976 119.914 -0.281 0.000 2.583 455 V HA 0.081 4.201 4.120 -0.001 0.000 0.287 455 V C 0.841 176.947 176.094 0.021 0.000 1.051 455 V CA -1.010 61.174 62.300 -0.194 0.000 1.010 455 V CB 1.397 33.087 31.823 -0.222 0.000 0.988 455 V HN 1.017 nan 8.190 nan 0.000 0.478 456 N N 5.625 124.368 118.700 0.072 0.000 2.454 456 N HA 0.076 4.816 4.740 -0.001 0.000 0.260 456 N C -1.741 173.826 175.510 0.095 0.000 1.218 456 N CA -1.289 51.811 53.050 0.084 0.000 0.904 456 N CB 1.667 40.164 38.487 0.017 0.000 1.065 456 N HN 0.302 nan 8.380 nan 0.000 0.462 457 P HA -0.093 nan 4.420 nan 0.000 0.222 457 P C 0.465 177.684 177.300 -0.135 0.000 1.147 457 P CA 0.950 64.038 63.100 -0.020 0.000 0.790 457 P CB 0.068 31.688 31.700 -0.134 0.000 0.780 458 N N -0.372 118.254 118.700 -0.123 0.000 2.515 458 N HA -0.178 4.561 4.740 -0.001 0.000 0.191 458 N C 1.304 176.724 175.510 -0.149 0.000 1.182 458 N CA 0.329 53.283 53.050 -0.159 0.000 0.879 458 N CB -1.663 36.746 38.487 -0.131 0.000 0.984 458 N HN 0.336 nan 8.380 nan 0.000 0.453 459 Y N -0.362 119.878 120.300 -0.100 0.000 2.421 459 Y HA 0.041 4.590 4.550 -0.001 0.000 0.292 459 Y C 1.732 177.593 175.900 -0.065 0.000 1.136 459 Y CA 0.648 58.694 58.100 -0.091 0.000 1.255 459 Y CB -0.445 37.968 38.460 -0.077 0.000 0.991 459 Y HN 0.069 nan 8.280 nan 0.000 0.552 460 Q N 0.615 119.923 119.800 -0.820 0.000 2.224 460 Q HA -0.111 4.228 4.340 -0.001 0.000 0.203 460 Q C 2.175 178.030 176.000 -0.240 0.000 0.970 460 Q CA 1.744 57.212 55.803 -0.558 0.000 0.865 460 Q CB -0.144 28.258 28.738 -0.561 0.000 0.922 460 Q HN 0.914 nan 8.270 nan 0.000 0.445 461 E N 0.839 120.920 120.200 -0.199 0.000 2.340 461 E HA 0.156 4.506 4.350 -0.001 0.000 0.198 461 E C 0.776 177.330 176.600 -0.077 0.000 0.961 461 E CA 0.240 56.569 56.400 -0.120 0.000 0.905 461 E CB 0.379 30.008 29.700 -0.119 0.000 0.884 461 E HN 0.248 nan 8.360 nan 0.000 0.491 462 I N 2.377 122.902 120.570 -0.074 0.000 2.405 462 I HA 0.400 4.570 4.170 -0.001 0.000 0.280 462 I C -0.953 175.136 176.117 -0.047 0.000 1.027 462 I CA -0.891 60.377 61.300 -0.055 0.000 1.161 462 I CB 1.215 39.173 38.000 -0.070 0.000 1.300 462 I HN 0.362 nan 8.210 nan 0.000 0.463 463 N N 3.996 122.677 118.700 -0.031 0.000 2.591 463 N HA 0.539 5.279 4.740 -0.001 0.000 0.263 463 N C 0.088 175.589 175.510 -0.014 0.000 1.308 463 N CA -0.708 52.325 53.050 -0.029 0.000 0.837 463 N CB 1.484 40.009 38.487 0.063 0.000 1.548 463 N HN 0.278 nan 8.380 nan 0.000 0.493 464 A N 0.453 123.264 122.820 -0.013 0.000 1.877 464 A HA -0.065 4.255 4.320 -0.001 0.000 0.216 464 A C 1.730 179.320 177.584 0.009 0.000 1.186 464 A CA 1.940 53.991 52.037 0.022 0.000 0.620 464 A CB -1.045 17.988 19.000 0.055 0.000 0.822 464 A HN 0.492 nan 8.150 nan 0.000 0.443 465 V N -0.181 119.766 119.914 0.055 0.000 2.392 465 V HA -0.235 3.885 4.120 -0.001 0.000 0.249 465 V C 2.820 178.925 176.094 0.018 0.000 1.059 465 V CA 2.369 64.689 62.300 0.033 0.000 1.051 465 V CB -0.768 31.085 31.823 0.051 0.000 0.658 465 V HN 0.683 nan 8.190 nan 0.000 0.455 466 S N -0.826 114.889 115.700 0.025 0.000 2.368 466 S HA -0.218 4.252 4.470 -0.001 0.000 0.224 466 S C 1.998 176.617 174.600 0.031 0.000 1.029 466 S CA 1.623 59.838 58.200 0.024 0.000 0.988 466 S CB -0.147 63.065 63.200 0.021 0.000 0.838 466 S HN 0.726 nan 8.310 nan 0.000 0.462 467 Q N 0.582 120.403 119.800 0.035 0.000 2.245 467 Q HA -0.014 4.325 4.340 -0.001 0.000 0.201 467 Q C 2.293 178.331 176.000 0.064 0.000 0.955 467 Q CA 1.384 57.236 55.803 0.081 0.000 0.870 467 Q CB -0.323 28.506 28.738 0.153 0.000 0.945 467 Q HN 0.705 nan 8.270 nan 0.000 0.461 468 V N -1.077 118.787 119.914 -0.082 0.000 2.490 468 V HA -0.176 3.944 4.120 -0.001 0.000 0.250 468 V C 2.099 178.220 176.094 0.046 0.000 1.061 468 V CA 1.941 64.159 62.300 -0.137 0.000 1.064 468 V CB -1.406 30.287 31.823 -0.216 0.000 0.670 468 V HN 0.381 nan 8.190 nan 0.000 0.461 469 T N -3.558 111.023 114.554 0.045 0.000 3.107 469 T HA 0.165 4.515 4.350 -0.001 0.000 0.249 469 T C 0.809 175.555 174.700 0.076 0.000 1.096 469 T CA -0.055 62.082 62.100 0.061 0.000 1.012 469 T CB -0.106 68.786 68.868 0.040 0.000 0.977 469 T HN 0.468 nan 8.240 nan 0.000 0.527 470 Q N 2.374 122.229 119.800 0.092 0.000 2.360 470 Q HA 0.268 4.607 4.340 -0.001 0.000 0.254 470 Q C -1.846 174.232 176.000 0.130 0.000 0.975 470 Q CA -2.676 53.184 55.803 0.096 0.000 0.912 470 Q CB 1.871 30.660 28.738 0.086 0.000 1.212 470 Q HN 0.221 nan 8.270 nan 0.000 0.452 471 P HA -0.160 nan 4.420 nan 0.000 0.221 471 P C 0.363 177.749 177.300 0.143 0.000 1.145 471 P CA 1.130 64.305 63.100 0.126 0.000 0.795 471 P CB 0.518 32.275 31.700 0.095 0.000 0.775 472 D N -0.191 120.286 120.400 0.128 0.000 2.388 472 D HA 0.024 4.663 4.640 -0.001 0.000 0.221 472 D C 0.388 176.773 176.300 0.142 0.000 1.133 472 D CA -0.215 53.864 54.000 0.132 0.000 0.831 472 D CB -0.032 40.820 40.800 0.087 0.000 0.962 472 D HN 0.083 nan 8.370 nan 0.000 0.502 473 S N -1.603 114.204 115.700 0.179 0.000 2.614 473 S HA 0.121 4.591 4.470 -0.001 0.000 0.265 473 S C 1.579 176.333 174.600 0.256 0.000 1.303 473 S CA -0.725 57.593 58.200 0.197 0.000 1.000 473 S CB 1.606 64.945 63.200 0.232 0.000 0.935 473 S HN -0.070 nan 8.310 nan 0.000 0.551 474 V N 1.092 121.153 119.914 0.245 0.000 2.343 474 V HA -0.111 4.009 4.120 -0.001 0.000 0.247 474 V C 1.936 178.290 176.094 0.434 0.000 1.051 474 V CA 2.204 64.686 62.300 0.304 0.000 1.036 474 V CB -1.352 30.622 31.823 0.253 0.000 0.654 474 V HN 0.889 nan 8.190 nan 0.000 0.451 475 F N 1.902 122.006 119.950 0.257 0.000 2.095 475 F HA -0.221 4.306 4.527 -0.001 0.000 0.298 475 F C 2.301 178.258 175.800 0.261 0.000 1.104 475 F CA 2.089 60.240 58.000 0.252 0.000 1.232 475 F CB -0.352 38.778 39.000 0.216 0.000 0.987 475 F HN 0.170 nan 8.300 nan 0.000 0.475 476 N N -0.938 117.993 118.700 0.385 0.000 2.459 476 N HA -0.180 4.559 4.740 -0.001 0.000 0.181 476 N C 1.568 177.156 175.510 0.130 0.000 1.046 476 N CA 0.799 53.981 53.050 0.220 0.000 0.904 476 N CB -0.487 38.173 38.487 0.290 0.000 0.964 476 N HN 0.423 nan 8.380 nan 0.000 0.444 477 Y N 0.194 120.543 120.300 0.081 0.000 2.243 477 Y HA -0.109 4.441 4.550 -0.001 0.000 0.293 477 Y C 1.812 177.687 175.900 -0.041 0.000 1.124 477 Y CA 1.153 59.263 58.100 0.016 0.000 1.159 477 Y CB -0.350 38.118 38.460 0.014 0.000 1.008 477 Y HN -0.038 nan 8.280 nan 0.000 0.527 478 Y N -0.029 120.272 120.300 0.003 0.000 2.145 478 Y HA -0.267 4.282 4.550 -0.001 0.000 0.286 478 Y C 2.839 178.613 175.900 -0.210 0.000 1.145 478 Y CA 2.139 60.184 58.100 -0.092 0.000 1.148 478 Y CB -0.462 37.941 38.460 -0.095 0.000 0.981 478 Y HN -0.019 nan 8.280 nan 0.000 0.507 479 R N 0.387 120.798 120.500 -0.148 0.000 2.096 479 R HA -0.264 4.075 4.340 -0.001 0.000 0.240 479 R C 2.091 178.311 176.300 -0.133 0.000 1.139 479 R CA 2.225 58.211 56.100 -0.191 0.000 0.952 479 R CB -0.273 29.892 30.300 -0.225 0.000 0.854 479 R HN 0.468 nan 8.270 nan 0.000 0.436 480 Q N 0.055 119.756 119.800 -0.164 0.000 2.084 480 Q HA -0.150 4.190 4.340 -0.001 0.000 0.202 480 Q C 2.266 178.123 176.000 -0.238 0.000 0.978 480 Q CA 1.537 57.221 55.803 -0.198 0.000 0.844 480 Q CB -0.067 28.506 28.738 -0.276 0.000 0.898 480 Q HN 0.392 nan 8.270 nan 0.000 0.426 481 L N 0.105 121.145 121.223 -0.304 0.000 2.141 481 L HA -0.152 4.188 4.340 -0.001 0.000 0.209 481 L C 2.189 178.935 176.870 -0.206 0.000 1.094 481 L CA 0.771 55.446 54.840 -0.275 0.000 0.763 481 L CB -0.222 41.655 42.059 -0.304 0.000 0.908 481 L HN 0.256 nan 8.230 nan 0.000 0.437 482 I N -0.318 120.146 120.570 -0.177 0.000 2.394 482 I HA -0.270 3.900 4.170 -0.001 0.000 0.251 482 I C 2.625 178.572 176.117 -0.284 0.000 1.136 482 I CA 1.144 62.301 61.300 -0.238 0.000 1.425 482 I CB -0.188 37.724 38.000 -0.147 0.000 1.079 482 I HN 0.231 nan 8.210 nan 0.000 0.425 483 K N 1.470 121.800 120.400 -0.117 0.000 2.062 483 K HA -0.108 4.211 4.320 -0.001 0.000 0.205 483 K C 2.140 178.716 176.600 -0.040 0.000 1.051 483 K CA 1.198 57.481 56.287 -0.007 0.000 0.941 483 K CB 0.040 32.535 32.500 -0.009 0.000 0.719 483 K HN 0.197 nan 8.250 nan 0.000 0.440 484 I N 0.772 121.275 120.570 -0.110 0.000 2.226 484 I HA -0.278 3.892 4.170 -0.001 0.000 0.245 484 I C 2.716 178.753 176.117 -0.132 0.000 1.100 484 I CA 1.133 62.359 61.300 -0.123 0.000 1.374 484 I CB -0.230 37.670 38.000 -0.167 0.000 1.057 484 I HN 0.209 nan 8.210 nan 0.000 0.413 485 R N 0.032 120.431 120.500 -0.167 0.000 2.096 485 R HA -0.190 4.150 4.340 -0.001 0.000 0.235 485 R C 2.393 178.649 176.300 -0.073 0.000 1.127 485 R CA 1.413 57.419 56.100 -0.156 0.000 0.968 485 R CB -0.232 29.955 30.300 -0.189 0.000 0.861 485 R HN 0.407 nan 8.270 nan 0.000 0.440 486 H N 0.394 119.442 119.070 -0.037 0.000 2.423 486 H HA -0.066 4.489 4.556 -0.001 0.000 0.297 486 H C 1.199 176.516 175.328 -0.019 0.000 1.075 486 H CA 1.313 57.351 56.048 -0.016 0.000 1.342 486 H CB 0.035 29.790 29.762 -0.011 0.000 1.395 486 H HN 0.309 nan 8.280 nan 0.000 0.530 487 D N 0.054 120.504 120.400 0.084 0.000 2.333 487 D HA 0.080 4.720 4.640 -0.001 0.000 0.208 487 D C 0.462 176.761 176.300 -0.001 0.000 0.984 487 D CA 0.380 54.401 54.000 0.034 0.000 0.873 487 D CB 0.667 41.474 40.800 0.011 0.000 0.935 487 D HN 0.297 nan 8.370 nan 0.000 0.521 488 I N 1.179 121.719 120.570 -0.049 0.000 2.437 488 I HA 0.155 4.325 4.170 -0.001 0.000 0.279 488 I C -1.765 174.324 176.117 -0.046 0.000 1.028 488 I CA -1.963 59.277 61.300 -0.101 0.000 1.142 488 I CB 2.425 40.224 38.000 -0.333 0.000 1.266 488 I HN -0.347 nan 8.210 nan 0.000 0.461 489 P HA -0.261 nan 4.420 nan 0.000 0.216 489 P C 1.646 179.031 177.300 0.141 0.000 1.154 489 P CA 1.412 64.594 63.100 0.137 0.000 0.865 489 P CB 0.329 32.126 31.700 0.161 0.000 0.789 490 A N -0.737 122.144 122.820 0.101 0.000 1.986 490 A HA -0.192 4.127 4.320 -0.001 0.000 0.220 490 A C 2.090 179.713 177.584 0.065 0.000 1.171 490 A CA 1.473 53.587 52.037 0.130 0.000 0.640 490 A CB -1.627 17.506 19.000 0.221 0.000 0.811 490 A HN 0.175 nan 8.150 nan 0.000 0.451 491 L N -1.199 119.996 121.223 -0.048 0.000 2.376 491 L HA -0.076 4.263 4.340 -0.001 0.000 0.219 491 L C 2.369 179.219 176.870 -0.033 0.000 1.133 491 L CA 1.272 56.078 54.840 -0.057 0.000 0.816 491 L CB -0.468 41.508 42.059 -0.138 0.000 0.933 491 L HN 0.361 nan 8.230 nan 0.000 0.449 492 T N -1.938 112.582 114.554 -0.057 0.000 2.980 492 T HA -0.017 4.332 4.350 -0.001 0.000 0.239 492 T C 1.343 175.961 174.700 -0.137 0.000 1.011 492 T CA 0.778 62.771 62.100 -0.177 0.000 1.171 492 T CB -0.074 68.502 68.868 -0.485 0.000 0.873 492 T HN 0.127 nan 8.240 nan 0.000 0.431 493 Y N 1.545 121.940 120.300 0.160 0.000 2.500 493 Y HA 0.431 4.980 4.550 -0.001 0.000 0.270 493 Y C 1.691 177.679 175.900 0.146 0.000 1.134 493 Y CA -1.075 57.126 58.100 0.169 0.000 1.293 493 Y CB -0.453 38.054 38.460 0.079 0.000 1.063 493 Y HN 0.156 nan 8.280 nan 0.000 0.534 494 G N 1.155 110.102 108.800 0.244 0.000 2.432 494 G HA2 0.227 4.186 3.960 -0.001 0.000 0.239 494 G HA3 0.227 4.186 3.960 -0.001 0.000 0.239 494 G C 0.361 175.372 174.900 0.185 0.000 1.291 494 G CA -0.106 45.114 45.100 0.200 0.000 0.863 494 G HN 0.242 nan 8.290 nan 0.000 0.560 495 T N -0.637 114.012 114.554 0.157 0.000 2.903 495 T HA 0.202 4.551 4.350 -0.001 0.000 0.314 495 T C -0.303 174.500 174.700 0.171 0.000 1.078 495 T CA -0.093 62.093 62.100 0.143 0.000 1.114 495 T CB 0.811 69.739 68.868 0.100 0.000 0.987 495 T HN 0.507 nan 8.240 nan 0.000 0.548 496 Y N 1.100 121.415 120.300 0.025 0.000 2.335 496 Y HA 0.520 5.070 4.550 -0.001 0.000 0.338 496 Y C -0.636 175.278 175.900 0.024 0.000 0.977 496 Y CA -0.608 57.499 58.100 0.011 0.000 1.114 496 Y CB 1.527 39.935 38.460 -0.087 0.000 1.182 496 Y HN 0.897 nan 8.280 nan 0.000 0.463 497 T N 6.253 120.476 114.554 -0.551 0.000 2.881 497 T HA 0.133 4.483 4.350 -0.001 0.000 0.291 497 T C -1.551 172.843 174.700 -0.510 0.000 0.990 497 T CA -0.764 61.083 62.100 -0.421 0.000 0.976 497 T CB 0.929 69.709 68.868 -0.147 0.000 0.970 497 T HN 0.573 nan 8.240 nan 0.000 0.438 498 D N 2.763 122.928 120.400 -0.393 0.000 2.277 498 D HA 0.205 4.845 4.640 -0.001 0.000 0.249 498 D C 1.150 177.446 176.300 -0.008 0.000 1.134 498 D CA -0.501 53.420 54.000 -0.131 0.000 0.863 498 D CB 1.067 41.889 40.800 0.037 0.000 1.143 498 D HN 0.432 nan 8.370 nan 0.000 0.458 499 L N 2.296 123.552 121.223 0.056 0.000 2.275 499 L HA -0.014 4.325 4.340 -0.001 0.000 0.215 499 L C 0.645 177.576 176.870 0.102 0.000 1.119 499 L CA 0.809 55.697 54.840 0.080 0.000 0.790 499 L CB -0.048 42.092 42.059 0.136 0.000 0.919 499 L HN 0.390 nan 8.230 nan 0.000 0.443 500 D N -1.804 118.670 120.400 0.122 0.000 2.492 500 D HA 0.115 4.755 4.640 -0.001 0.000 0.229 500 D C -2.214 174.150 176.300 0.107 0.000 1.345 500 D CA -1.047 53.017 54.000 0.108 0.000 0.912 500 D CB 1.019 41.897 40.800 0.130 0.000 1.526 500 D HN -0.258 nan 8.370 nan 0.000 0.505 501 P HA -0.007 nan 4.420 nan 0.000 0.226 501 P C 0.794 178.124 177.300 0.049 0.000 1.146 501 P CA 0.948 64.093 63.100 0.075 0.000 0.773 501 P CB 0.380 32.114 31.700 0.056 0.000 0.772 502 A N -2.051 120.796 122.820 0.045 0.000 2.348 502 A HA 0.067 4.386 4.320 -0.001 0.000 0.224 502 A C 1.009 178.605 177.584 0.021 0.000 1.227 502 A CA -0.112 51.941 52.037 0.027 0.000 0.885 502 A CB -0.622 18.392 19.000 0.023 0.000 0.933 502 A HN 0.064 nan 8.150 nan 0.000 0.506 503 N N 1.194 119.915 118.700 0.036 0.000 2.420 503 N HA 0.042 4.781 4.740 -0.001 0.000 0.262 503 N C -0.692 174.805 175.510 -0.022 0.000 1.144 503 N CA 0.114 53.180 53.050 0.026 0.000 0.952 503 N CB 0.756 39.281 38.487 0.064 0.000 1.081 503 N HN 0.153 nan 8.380 nan 0.000 0.480 504 D N 1.522 121.893 120.400 -0.049 0.000 2.339 504 D HA 0.092 4.732 4.640 -0.001 0.000 0.217 504 D C 0.566 176.788 176.300 -0.130 0.000 1.050 504 D CA 0.431 54.370 54.000 -0.102 0.000 0.856 504 D CB 0.666 41.409 40.800 -0.095 0.000 0.922 504 D HN 0.421 nan 8.370 nan 0.000 0.518 505 S N -0.702 114.942 115.700 -0.093 0.000 2.655 505 S HA 0.119 4.588 4.470 -0.001 0.000 0.231 505 S C 0.820 175.375 174.600 -0.075 0.000 1.044 505 S CA -0.079 58.061 58.200 -0.100 0.000 0.910 505 S CB 1.233 64.384 63.200 -0.081 0.000 0.833 505 S HN -0.082 nan 8.310 nan 0.000 0.581 506 V N 2.828 122.686 119.914 -0.092 0.000 2.384 506 V HA 0.399 4.519 4.120 -0.001 0.000 0.287 506 V C -1.206 174.867 176.094 -0.035 0.000 1.020 506 V CA -0.754 61.465 62.300 -0.136 0.000 0.850 506 V CB 1.037 32.580 31.823 -0.467 0.000 0.987 506 V HN 0.460 nan 8.190 nan 0.000 0.436 507 Y N 4.903 125.198 120.300 -0.009 0.000 2.383 507 Y HA 0.715 5.264 4.550 -0.001 0.000 0.344 507 Y C 0.095 176.046 175.900 0.084 0.000 0.986 507 Y CA -1.336 56.823 58.100 0.098 0.000 1.175 507 Y CB 0.857 39.495 38.460 0.297 0.000 1.152 507 Y HN 0.726 nan 8.280 nan 0.000 0.511 508 A N 7.291 130.128 122.820 0.028 0.000 2.449 508 A HA 0.788 5.108 4.320 -0.001 0.000 0.302 508 A C -2.099 175.472 177.584 -0.021 0.000 1.048 508 A CA -0.581 51.373 52.037 -0.137 0.000 0.708 508 A CB 1.105 20.054 19.000 -0.085 0.000 1.274 508 A HN 0.887 nan 8.150 nan 0.000 0.410 509 Y N -1.202 118.970 120.300 -0.213 0.000 2.656 509 Y HA 0.804 5.353 4.550 -0.001 0.000 0.334 509 Y C -0.218 175.593 175.900 -0.147 0.000 1.179 509 Y CA -0.569 57.387 58.100 -0.240 0.000 1.050 509 Y CB 0.879 39.103 38.460 -0.393 0.000 1.308 509 Y HN 0.815 nan 8.280 nan 0.000 0.456 510 T N 0.144 114.705 114.554 0.010 0.000 2.932 510 T HA 0.802 5.152 4.350 -0.001 0.000 0.289 510 T C -0.854 173.920 174.700 0.124 0.000 1.039 510 T CA -1.102 61.017 62.100 0.031 0.000 1.024 510 T CB 1.890 70.764 68.868 0.009 0.000 1.090 510 T HN 0.682 nan 8.240 nan 0.000 0.496 511 R N 1.640 122.239 120.500 0.165 0.000 2.502 511 R HA 0.632 4.971 4.340 -0.001 0.000 0.300 511 R C -0.867 175.550 176.300 0.196 0.000 0.984 511 R CA -0.615 55.607 56.100 0.203 0.000 0.882 511 R CB 1.684 32.117 30.300 0.221 0.000 1.180 511 R HN 1.012 nan 8.270 nan 0.000 0.444 512 S N 2.085 117.879 115.700 0.156 0.000 2.538 512 S HA 0.666 5.136 4.470 -0.001 0.000 0.288 512 S C -0.987 173.694 174.600 0.135 0.000 1.108 512 S CA -0.858 57.426 58.200 0.140 0.000 0.971 512 S CB 1.914 65.162 63.200 0.080 0.000 1.041 512 S HN 0.339 nan 8.310 nan 0.000 0.483 513 L N 3.376 124.683 121.223 0.140 0.000 2.406 513 L HA 0.745 5.084 4.340 -0.001 0.000 0.270 513 L C 0.727 177.650 176.870 0.089 0.000 0.982 513 L CA 1.386 56.300 54.840 0.122 0.000 0.843 513 L CB 0.779 42.930 42.059 0.154 0.000 1.225 513 L HN 1.368 nan 8.230 nan 0.000 0.412 514 G N 3.889 112.725 108.800 0.060 0.000 2.611 514 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.301 514 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.301 514 G C 0.759 175.679 174.900 0.034 0.000 1.233 514 G CA 0.494 45.618 45.100 0.040 0.000 0.993 514 G HN 1.496 nan 8.290 nan 0.000 0.553 515 A N 0.001 122.836 122.820 0.026 0.000 2.238 515 A HA 0.405 4.725 4.320 -0.001 0.000 0.208 515 A C 0.923 178.505 177.584 -0.003 0.000 1.177 515 A CA 1.454 53.495 52.037 0.008 0.000 0.804 515 A CB -0.111 18.892 19.000 0.004 0.000 0.823 515 A HN 0.505 nan 8.150 nan 0.000 0.482 516 E N 0.626 120.843 120.200 0.029 0.000 2.174 516 E HA 0.420 4.770 4.350 -0.001 0.000 0.282 516 E C -0.727 175.878 176.600 0.007 0.000 0.992 516 E CA -0.187 56.224 56.400 0.018 0.000 0.803 516 E CB 1.438 31.243 29.700 0.175 0.000 1.090 516 E HN 0.334 nan 8.360 nan 0.000 0.396 517 K N 3.004 123.291 120.400 -0.189 0.000 2.507 517 K HA 0.388 4.708 4.320 -0.001 0.000 0.251 517 K C -1.663 174.737 176.600 -0.333 0.000 0.943 517 K CA -0.544 55.675 56.287 -0.113 0.000 0.794 517 K CB 1.055 33.509 32.500 -0.077 0.000 1.188 517 K HN 0.328 nan 8.250 nan 0.000 0.428 518 Y N 2.439 122.752 120.300 0.021 0.000 2.485 518 Y HA 0.499 5.049 4.550 -0.001 0.000 0.345 518 Y C -0.669 175.223 175.900 -0.012 0.000 0.998 518 Y CA -1.074 57.033 58.100 0.012 0.000 1.059 518 Y CB 1.788 40.248 38.460 0.001 0.000 1.234 518 Y HN 0.443 nan 8.280 nan 0.000 0.461 519 L N 2.445 123.754 121.223 0.142 0.000 2.334 519 L HA 0.886 5.226 4.340 -0.001 0.000 0.276 519 L C -1.488 175.360 176.870 -0.036 0.000 1.014 519 L CA -0.671 54.192 54.840 0.039 0.000 0.815 519 L CB 1.635 43.755 42.059 0.101 0.000 1.268 519 L HN 0.435 nan 8.230 nan 0.000 0.428 520 V N 4.947 124.648 119.914 -0.354 0.000 2.656 520 V HA 0.779 4.899 4.120 -0.001 0.000 0.307 520 V C -0.719 175.124 176.094 -0.418 0.000 1.051 520 V CA -0.443 61.566 62.300 -0.484 0.000 0.893 520 V CB 1.989 33.222 31.823 -0.983 0.000 0.999 520 V HN 0.732 nan 8.190 nan 0.000 0.426 521 V N 2.455 122.280 119.914 -0.148 0.000 2.888 521 V HA 0.927 5.047 4.120 -0.001 0.000 0.309 521 V C -1.156 174.943 176.094 0.009 0.000 1.114 521 V CA -0.704 61.552 62.300 -0.073 0.000 0.940 521 V CB 2.069 33.913 31.823 0.036 0.000 1.021 521 V HN 0.538 nan 8.190 nan 0.000 0.426 522 V N 3.085 123.036 119.914 0.061 0.000 2.612 522 V HA 0.482 4.602 4.120 -0.001 0.000 0.301 522 V C -0.615 175.525 176.094 0.077 0.000 1.059 522 V CA -0.439 61.926 62.300 0.108 0.000 0.886 522 V CB 1.814 33.786 31.823 0.248 0.000 1.007 522 V HN 1.039 nan 8.190 nan 0.000 0.426 523 N N 3.540 122.193 118.700 -0.079 0.000 2.439 523 N HA 0.294 5.033 4.740 -0.001 0.000 0.243 523 N C 0.183 175.388 175.510 -0.508 0.000 1.088 523 N CA -0.277 52.660 53.050 -0.188 0.000 0.940 523 N CB 0.435 38.810 38.487 -0.187 0.000 1.180 523 N HN 0.505 nan 8.380 nan 0.000 0.505 524 F N 1.453 121.041 119.950 -0.603 0.000 2.811 524 F HA 0.180 4.706 4.527 -0.000 0.000 0.301 524 F C 1.109 176.229 175.800 -1.134 0.000 1.151 524 F CA 0.400 57.779 58.000 -1.036 0.000 1.412 524 F CB 0.263 38.949 39.000 -0.524 0.000 1.113 524 F HN 0.190 nan 8.300 nan 0.000 0.579 525 K N 0.596 120.601 120.400 -0.660 0.000 2.098 525 K HA 0.141 4.461 4.320 -0.001 0.000 0.261 525 K C 0.886 177.099 176.600 -0.645 0.000 0.987 525 K CA -0.206 55.765 56.287 -0.527 0.000 0.916 525 K CB 0.929 33.250 32.500 -0.298 0.000 1.039 525 K HN 0.172 nan 8.250 nan 0.000 0.455 526 E N 1.098 120.998 120.200 -0.499 0.000 2.502 526 E HA -0.071 4.278 4.350 -0.001 0.000 0.194 526 E C 0.352 176.795 176.600 -0.263 0.000 1.062 526 E CA 0.170 56.267 56.400 -0.505 0.000 0.867 526 E CB 0.573 30.053 29.700 -0.366 0.000 0.888 526 E HN 0.579 nan 8.360 nan 0.000 0.510 527 Q N 0.873 120.551 119.800 -0.203 0.000 2.301 527 Q HA 0.407 4.746 4.340 -0.001 0.000 0.267 527 Q C -0.180 175.767 176.000 -0.088 0.000 1.035 527 Q CA -0.697 55.048 55.803 -0.097 0.000 0.856 527 Q CB 1.146 29.841 28.738 -0.072 0.000 1.337 527 Q HN 0.063 nan 8.270 nan 0.000 0.450 528 M N 2.497 122.077 119.600 -0.032 0.000 2.248 528 M HA 0.320 4.800 4.480 -0.001 0.000 0.345 528 M C -1.278 175.007 176.300 -0.026 0.000 1.243 528 M CA 0.353 55.642 55.300 -0.017 0.000 1.090 528 M CB 0.191 32.798 32.600 0.011 0.000 1.683 528 M HN 0.770 nan 8.290 nan 0.000 0.450 529 M N 5.371 124.958 119.600 -0.022 0.000 2.395 529 M HA 0.437 4.916 4.480 -0.001 0.000 0.307 529 M C -0.765 175.553 176.300 0.031 0.000 1.091 529 M CA -0.348 54.949 55.300 -0.005 0.000 0.919 529 M CB 2.075 34.660 32.600 -0.026 0.000 1.662 529 M HN 0.631 nan 8.290 nan 0.000 0.440 530 R N 1.624 122.152 120.500 0.047 0.000 2.346 530 R HA 0.486 4.826 4.340 -0.001 0.000 0.311 530 R C -1.507 174.866 176.300 0.122 0.000 0.983 530 R CA -0.519 55.615 56.100 0.058 0.000 0.880 530 R CB 1.728 32.043 30.300 0.024 0.000 1.100 530 R HN 0.509 nan 8.270 nan 0.000 0.453 531 Y N 2.549 122.828 120.300 -0.036 0.000 2.332 531 Y HA 0.269 4.819 4.550 -0.001 0.000 0.326 531 Y C -0.831 175.039 175.900 -0.050 0.000 0.978 531 Y CA -1.376 56.702 58.100 -0.037 0.000 1.205 531 Y CB 1.051 39.492 38.460 -0.032 0.000 1.131 531 Y HN 0.349 nan 8.280 nan 0.000 0.462 532 K N 5.915 126.054 120.400 -0.435 0.000 2.297 532 K HA 0.415 4.734 4.320 -0.001 0.000 0.286 532 K C -1.065 175.158 176.600 -0.628 0.000 1.053 532 K CA -0.142 55.907 56.287 -0.397 0.000 0.940 532 K CB 0.329 32.677 32.500 -0.253 0.000 1.019 532 K HN 0.792 nan 8.250 nan 0.000 0.475 533 L N 6.973 127.952 121.223 -0.407 0.000 2.439 533 L HA 0.313 4.652 4.340 -0.001 0.000 0.269 533 L C -1.545 175.185 176.870 -0.234 0.000 1.179 533 L CA -1.707 52.938 54.840 -0.325 0.000 0.828 533 L CB 0.388 42.344 42.059 -0.172 0.000 1.106 533 L HN 0.714 nan 8.230 nan 0.000 0.467 534 P HA 0.163 nan 4.420 nan 0.000 0.284 534 P C -0.795 176.460 177.300 -0.076 0.000 1.292 534 P CA -0.341 62.693 63.100 -0.111 0.000 0.800 534 P CB 0.665 32.322 31.700 -0.073 0.000 1.188 535 D N -1.101 119.265 120.400 -0.057 0.000 2.792 535 D HA -0.218 4.421 4.640 -0.001 0.000 0.231 535 D C -0.128 176.143 176.300 -0.048 0.000 1.160 535 D CA 1.125 55.099 54.000 -0.044 0.000 0.697 535 D CB -2.388 38.392 40.800 -0.035 0.000 1.070 535 D HN 0.657 nan 8.370 nan 0.000 0.426 536 N N -1.337 117.329 118.700 -0.057 0.000 2.708 536 N HA -0.238 4.502 4.740 -0.001 0.000 0.249 536 N C -0.047 175.429 175.510 -0.057 0.000 1.097 536 N CA 0.200 53.217 53.050 -0.056 0.000 0.710 536 N CB -0.695 37.766 38.487 -0.044 0.000 1.032 536 N HN 0.459 nan 8.380 nan 0.000 0.551 537 L N 0.799 121.984 121.223 -0.064 0.000 2.426 537 L HA 0.289 4.629 4.340 -0.001 0.000 0.271 537 L C 0.864 177.690 176.870 -0.074 0.000 1.169 537 L CA 0.088 54.890 54.840 -0.063 0.000 0.836 537 L CB 0.988 43.011 42.059 -0.061 0.000 1.112 537 L HN 0.165 nan 8.230 nan 0.000 0.465 538 S N 2.336 117.994 115.700 -0.070 0.000 2.564 538 S HA 0.638 5.108 4.470 -0.001 0.000 0.274 538 S C -0.717 173.839 174.600 -0.073 0.000 1.124 538 S CA -0.966 57.189 58.200 -0.075 0.000 0.869 538 S CB 1.632 64.796 63.200 -0.061 0.000 1.105 538 S HN 0.393 nan 8.310 nan 0.000 0.472 539 I N 1.958 122.479 120.570 -0.082 0.000 2.441 539 I HA 0.258 4.427 4.170 -0.001 0.000 0.287 539 I C 1.542 177.642 176.117 -0.029 0.000 1.049 539 I CA -0.198 61.065 61.300 -0.062 0.000 1.381 539 I CB 1.102 39.042 38.000 -0.100 0.000 1.409 539 I HN 0.956 nan 8.210 nan 0.000 0.523 540 E N 6.150 126.341 120.200 -0.015 0.000 2.065 540 E HA 0.042 4.392 4.350 -0.001 0.000 0.191 540 E C 0.019 176.631 176.600 0.021 0.000 0.960 540 E CA 0.521 56.913 56.400 -0.013 0.000 0.824 540 E CB 0.560 30.237 29.700 -0.039 0.000 0.793 540 E HN 0.662 nan 8.360 nan 0.000 0.459 541 K N -0.716 119.717 120.400 0.055 0.000 2.568 541 K HA 0.322 4.641 4.320 -0.001 0.000 0.273 541 K C -1.256 175.440 176.600 0.160 0.000 0.951 541 K CA -0.802 55.539 56.287 0.090 0.000 0.854 541 K CB 1.894 34.432 32.500 0.063 0.000 1.424 541 K HN -0.138 nan 8.250 nan 0.000 0.427 542 V N 3.618 123.636 119.914 0.174 0.000 2.555 542 V HA 0.033 4.152 4.120 -0.001 0.000 0.286 542 V C 1.240 177.352 176.094 0.028 0.000 1.044 542 V CA -0.397 61.996 62.300 0.156 0.000 1.026 542 V CB 0.741 32.654 31.823 0.151 0.000 0.981 542 V HN 0.735 nan 8.190 nan 0.000 0.480 543 I N 4.412 124.943 120.570 -0.066 0.000 2.556 543 I HA 0.342 4.512 4.170 -0.001 0.000 0.251 543 I C 0.525 176.579 176.117 -0.106 0.000 1.105 543 I CA 1.506 62.776 61.300 -0.049 0.000 1.436 543 I CB 0.188 38.171 38.000 -0.028 0.000 1.139 543 I HN 0.505 nan 8.210 nan 0.000 0.438 544 I N 0.308 120.766 120.570 -0.187 0.000 2.882 544 I HA 0.224 4.394 4.170 -0.001 0.000 0.298 544 I C -2.332 173.692 176.117 -0.156 0.000 1.462 544 I CA -0.573 60.639 61.300 -0.146 0.000 1.000 544 I CB 2.567 40.452 38.000 -0.190 0.000 1.340 544 I HN 0.108 nan 8.210 nan 0.000 0.462 545 D N 3.938 124.337 120.400 -0.001 0.000 2.717 545 D HA 0.224 4.863 4.640 -0.001 0.000 0.223 545 D C -0.691 175.718 176.300 0.182 0.000 1.240 545 D CA -0.449 53.584 54.000 0.055 0.000 0.801 545 D CB 1.976 42.794 40.800 0.030 0.000 1.556 545 D HN 0.384 nan 8.370 nan 0.000 0.462 546 S N 1.402 117.190 115.700 0.147 0.000 2.507 546 S HA -0.082 4.388 4.470 -0.001 0.000 0.235 546 S C 1.179 175.799 174.600 0.033 0.000 0.988 546 S CA 0.483 58.685 58.200 0.003 0.000 0.944 546 S CB -0.250 62.862 63.200 -0.147 0.000 0.762 546 S HN 0.536 nan 8.310 nan 0.000 0.526 547 N N 1.290 120.034 118.700 0.074 0.000 2.129 547 N HA 0.119 4.859 4.740 -0.001 0.000 0.224 547 N C 0.160 175.715 175.510 0.075 0.000 1.039 547 N CA 1.126 54.220 53.050 0.073 0.000 1.101 547 N CB 0.239 38.777 38.487 0.084 0.000 1.401 547 N HN 0.254 nan 8.380 nan 0.000 0.582 548 S N -3.081 112.666 115.700 0.078 0.000 3.216 548 S HA 0.161 4.631 4.470 -0.001 0.000 0.783 548 S C 0.162 174.799 174.600 0.060 0.000 0.909 548 S CA 1.361 59.603 58.200 0.070 0.000 1.298 548 S CB -1.503 61.735 63.200 0.065 0.000 0.904 548 S HN 1.318 nan 8.310 nan 0.000 0.263 549 K N -2.103 118.329 120.400 0.053 0.000 3.572 549 K HA -0.289 4.031 4.320 -0.001 0.000 0.306 549 K C 0.823 177.452 176.600 0.048 0.000 1.286 549 K CA 3.064 59.379 56.287 0.046 0.000 1.010 549 K CB -3.281 nan 32.500 nan 0.000 1.268 549 K HN 2.465 nan 8.250 nan 0.000 0.438 550 N N 0.535 119.271 118.700 0.059 0.000 3.228 550 N HA 0.524 5.263 4.740 -0.001 0.000 0.289 550 N C 0.170 175.719 175.510 0.066 0.000 1.419 550 N CA 0.196 53.283 53.050 0.062 0.000 1.088 550 N CB 0.788 39.320 38.487 0.076 0.000 1.357 550 N HN 0.813 nan 8.380 nan 0.000 0.504 551 V N 1.119 121.064 119.914 0.052 0.000 2.583 551 V HA 0.020 4.140 4.120 -0.001 0.000 0.302 551 V C 0.515 176.636 176.094 0.045 0.000 1.033 551 V CA 0.121 62.450 62.300 0.048 0.000 1.194 551 V CB 0.189 32.033 31.823 0.034 0.000 0.879 551 V HN 0.506 nan 8.190 nan 0.000 0.482 552 V N 6.595 126.545 119.914 0.059 0.000 2.448 552 V HA 0.459 4.578 4.120 -0.001 0.000 0.295 552 V C 0.141 176.258 176.094 0.038 0.000 1.025 552 V CA -0.930 61.398 62.300 0.047 0.000 0.859 552 V CB 1.655 33.536 31.823 0.097 0.000 0.988 552 V HN 0.865 nan 8.190 nan 0.000 0.431 553 K N 2.605 123.012 120.400 0.012 0.000 2.221 553 K HA 0.528 4.848 4.320 -0.001 0.000 0.243 553 K C -0.381 176.219 176.600 0.002 0.000 0.968 553 K CA -1.048 55.245 56.287 0.011 0.000 0.846 553 K CB 2.124 34.626 32.500 0.003 0.000 1.141 553 K HN 0.542 nan 8.250 nan 0.000 0.434 554 K N 1.461 121.864 120.400 0.005 0.000 2.485 554 K HA -0.115 4.204 4.320 -0.001 0.000 0.277 554 K C -0.227 176.364 176.600 -0.016 0.000 0.990 554 K CA 0.517 56.803 56.287 -0.003 0.000 0.994 554 K CB 0.158 32.657 32.500 -0.000 0.000 0.906 554 K HN 0.633 nan 8.250 nan 0.000 0.488 555 N N 1.153 119.837 118.700 -0.026 0.000 2.965 555 N HA -0.183 4.556 4.740 -0.001 0.000 0.232 555 N C -1.184 174.298 175.510 -0.047 0.000 0.913 555 N CA 1.185 54.213 53.050 -0.035 0.000 0.981 555 N CB -1.193 37.277 38.487 -0.028 0.000 1.077 555 N HN 0.684 nan 8.380 nan 0.000 0.589 556 D N 0.004 120.372 120.400 -0.053 0.000 2.443 556 D HA 0.242 4.882 4.640 -0.001 0.000 0.239 556 D C 1.251 177.495 176.300 -0.093 0.000 1.136 556 D CA 0.755 54.714 54.000 -0.068 0.000 0.879 556 D CB 0.624 41.379 40.800 -0.074 0.000 1.195 556 D HN 0.362 nan 8.370 nan 0.000 0.443 557 S N 1.151 116.794 115.700 -0.095 0.000 2.787 557 S HA 0.190 4.659 4.470 -0.001 0.000 0.255 557 S C 0.121 174.644 174.600 -0.129 0.000 1.051 557 S CA -0.604 57.528 58.200 -0.114 0.000 1.124 557 S CB 0.119 63.260 63.200 -0.099 0.000 1.104 557 S HN 0.362 nan 8.310 nan 0.000 0.623 558 L N 2.079 123.236 121.223 -0.108 0.000 2.376 558 L HA 0.641 4.981 4.340 -0.001 0.000 0.275 558 L C -1.778 175.049 176.870 -0.072 0.000 0.987 558 L CA -1.008 53.775 54.840 -0.095 0.000 0.828 558 L CB 1.672 43.688 42.059 -0.073 0.000 1.249 558 L HN 0.225 nan 8.230 nan 0.000 0.409 559 L N 4.446 125.644 121.223 -0.042 0.000 2.307 559 L HA 0.466 4.806 4.340 -0.001 0.000 0.284 559 L C -0.197 176.690 176.870 0.028 0.000 1.023 559 L CA -0.380 54.446 54.840 -0.023 0.000 0.810 559 L CB 1.845 43.886 42.059 -0.030 0.000 1.231 559 L HN 0.600 nan 8.230 nan 0.000 0.423 560 E N 4.529 124.742 120.200 0.022 0.000 2.115 560 E HA 0.467 4.817 4.350 -0.001 0.000 0.282 560 E C -1.429 175.196 176.600 0.043 0.000 0.987 560 E CA -0.538 55.881 56.400 0.032 0.000 0.797 560 E CB 0.902 30.617 29.700 0.024 0.000 1.086 560 E HN 0.475 nan 8.360 nan 0.000 0.397 561 L N 4.872 126.118 121.223 0.039 0.000 2.313 561 L HA 0.456 4.796 4.340 -0.001 0.000 0.283 561 L C 0.237 177.117 176.870 0.017 0.000 1.013 561 L CA -0.914 53.946 54.840 0.033 0.000 0.816 561 L CB 1.519 43.587 42.059 0.014 0.000 1.236 561 L HN 0.451 nan 8.230 nan 0.000 0.419 562 K N 2.893 123.316 120.400 0.037 0.000 2.138 562 K HA 0.339 4.658 4.320 -0.001 0.000 0.251 562 K C -2.351 174.258 176.600 0.015 0.000 1.015 562 K CA -1.668 54.647 56.287 0.047 0.000 0.917 562 K CB 0.315 32.868 32.500 0.089 0.000 1.021 562 K HN 0.230 nan 8.250 nan 0.000 0.485 563 P HA -0.142 nan 4.420 nan 0.000 0.264 563 P C -0.840 176.455 177.300 -0.008 0.000 1.183 563 P CA 0.489 63.505 63.100 -0.140 0.000 0.763 563 P CB 0.108 31.718 31.700 -0.150 0.000 0.807 564 W N -0.844 120.346 121.300 -0.183 0.000 3.962 564 W HA -0.258 4.402 4.660 -0.001 0.000 0.305 564 W C 0.801 177.266 176.519 -0.091 0.000 1.121 564 W CA 0.445 57.693 57.345 -0.162 0.000 0.707 564 W CB -1.826 27.560 29.460 -0.124 0.000 2.160 564 W HN 0.455 nan 8.180 nan 0.000 1.520 565 Q N 1.270 121.123 119.800 0.088 0.000 2.454 565 Q HA 0.341 4.681 4.340 -0.001 0.000 0.247 565 Q C 0.687 176.725 176.000 0.064 0.000 1.028 565 Q CA 1.061 56.912 55.803 0.080 0.000 0.910 565 Q CB 0.944 29.724 28.738 0.069 0.000 1.276 565 Q HN 0.142 nan 8.270 nan 0.000 0.489 566 S N 0.571 116.313 115.700 0.070 0.000 2.588 566 S HA 0.925 5.395 4.470 -0.001 0.000 0.269 566 S C -0.698 173.941 174.600 0.064 0.000 1.157 566 S CA -0.272 57.970 58.200 0.070 0.000 0.824 566 S CB 1.781 65.022 63.200 0.067 0.000 1.126 566 S HN 0.977 nan 8.310 nan 0.000 0.464 567 G N -0.425 108.378 108.800 0.005 0.000 2.466 567 G HA2 0.543 4.503 3.960 -0.001 0.000 0.291 567 G HA3 0.543 4.503 3.960 -0.001 0.000 0.291 567 G C -2.143 172.517 174.900 -0.401 0.000 1.460 567 G CA -0.312 44.669 45.100 -0.200 0.000 0.791 567 G HN 1.338 nan 8.290 nan 0.000 0.505 568 V N 0.433 119.957 119.914 -0.650 0.000 2.588 568 V HA 0.734 4.854 4.120 -0.001 0.000 0.304 568 V C -1.277 174.409 176.094 -0.680 0.000 1.042 568 V CA -0.731 61.285 62.300 -0.474 0.000 0.877 568 V CB 1.222 32.900 31.823 -0.243 0.000 0.996 568 V HN 0.697 nan 8.190 nan 0.000 0.425 569 Y N 1.647 121.980 120.300 0.055 0.000 2.545 569 Y HA 0.588 5.137 4.550 -0.001 0.000 0.348 569 Y C -0.033 175.917 175.900 0.082 0.000 1.002 569 Y CA -1.162 56.976 58.100 0.063 0.000 1.039 569 Y CB 1.808 40.276 38.460 0.012 0.000 1.271 569 Y HN 0.486 nan 8.280 nan 0.000 0.467 570 K N 2.574 123.067 120.400 0.155 0.000 2.201 570 K HA 0.572 4.892 4.320 -0.001 0.000 0.278 570 K C -1.260 175.265 176.600 -0.125 0.000 1.027 570 K CA -0.303 55.867 56.287 -0.196 0.000 0.909 570 K CB 0.612 32.997 32.500 -0.191 0.000 1.062 570 K HN 0.712 nan 8.250 nan 0.000 0.465 571 L N 3.296 124.393 121.223 -0.209 0.000 2.360 571 L HA 0.293 4.633 4.340 -0.001 0.000 0.271 571 L C 0.354 177.150 176.870 -0.123 0.000 1.057 571 L CA -0.863 53.905 54.840 -0.120 0.000 0.803 571 L CB 1.376 43.376 42.059 -0.099 0.000 1.207 571 L HN 0.759 nan 8.230 nan 0.000 0.445 572 N N 1.573 120.224 118.700 -0.081 0.000 2.453 572 N HA 0.228 4.968 4.740 -0.001 0.000 0.253 572 N C -0.911 174.559 175.510 -0.066 0.000 1.252 572 N CA 0.006 53.016 53.050 -0.067 0.000 0.917 572 N CB 0.434 38.891 38.487 -0.050 0.000 1.117 572 N HN 0.511 nan 8.380 nan 0.000 0.442 573 Q N 0.000 119.767 119.800 -0.055 0.000 2.315 573 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 573 Q CA 0.000 55.776 55.803 -0.044 0.000 1.022 573 Q CB 0.000 28.714 28.738 -0.040 0.000 1.108 573 Q HN 0.000 nan 8.270 nan 0.000 0.481