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 3o4i_1_A DATA FIRST_RESID 6 DATA SEQUENCE PVEFSRIVRD VERLIAVEKY SLQGVVDGDK LLVVGFSEGS VNAYLYDGGE DATA SEQUENCE TVKLNREPIN SVLDPHYGVG RVILVRDVSK GAEQHALFKV NTSRPGEEQR DATA SEQUENCE LEAVKPMRIL SGVDTGEAVV FTGATEDRVA LYALDXGGLR ELARLPGFGF DATA SEQUENCE VSDIRGDLIA GLGFFGGGRV SLFTSNLSSG GLRVFDSGEG SFSSASISPG DATA SEQUENCE MKVTAGLETA REARLVTVDP RDGSVEDLEL PSKDFSSYRP TAITWLGYLP DATA SEQUENCE DGRLAVVARR EGRSAVFIDG ERVEAPQGNH GRVVLWRGKL VTSHTSLSTP DATA SEQUENCE PRIVSLPSGE PLLEGGLPED LRRSIAGSRL VWVESFDGSR VPTYVLESGR DATA SEQUENCE APTPGPTVVL VHGGPFAEDS DSWDTFAASL AAAGFHVVMP NYRGSTGYGE DATA SEQUENCE EWRLKIIGDP CGGELEDVSA AARWARESGL ASELYIMGYS YGGYMTLCAL DATA SEQUENCE TMKPGLFKAG VAGASVVDWE EMYELSDAAF RNFIEQLTGG SREIMRSRSP DATA SEQUENCE INHVDRIKEP LALIHPQNAS RTPLKPLLRL MGELLARGKT FEAHIIPDAG DATA SEQUENCE HAINTMEDAV KILLPAVFFL ATQRERR 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 6 P HA 0.000 nan 4.420 nan 0.000 0.216 6 P C 0.000 177.192 177.300 -0.180 0.000 1.155 6 P CA 0.000 63.048 63.100 -0.087 0.000 0.800 6 P CB 0.000 31.677 31.700 -0.039 0.000 0.726 7 V N 1.975 121.694 119.914 -0.324 0.000 2.788 7 V HA -0.025 4.094 4.120 -0.000 0.000 0.307 7 V C 1.096 176.789 176.094 -0.669 0.000 1.069 7 V CA 0.407 62.341 62.300 -0.609 0.000 1.173 7 V CB 0.159 31.355 31.823 -1.046 0.000 0.925 7 V HN 0.499 nan 8.190 nan 0.000 0.492 8 E N 3.938 123.854 120.200 -0.474 0.000 2.127 8 E HA 0.187 4.537 4.350 -0.000 0.000 0.262 8 E C 0.280 176.757 176.600 -0.204 0.000 1.144 8 E CA -0.051 56.193 56.400 -0.259 0.000 1.144 8 E CB 0.167 29.789 29.700 -0.130 0.000 1.297 8 E HN 0.659 nan 8.360 nan 0.000 0.469 9 F N 1.072 120.948 119.950 -0.124 0.000 2.065 9 F HA -0.306 4.221 4.527 -0.000 0.000 0.298 9 F C 2.732 178.542 175.800 0.016 0.000 1.112 9 F CA 1.732 59.620 58.000 -0.187 0.000 1.212 9 F CB -0.372 38.409 39.000 -0.366 0.000 0.975 9 F HN 0.291 nan 8.300 nan 0.000 0.476 10 S N -0.245 115.571 115.700 0.194 0.000 2.383 10 S HA -0.203 4.267 4.470 -0.000 0.000 0.227 10 S C 2.067 176.734 174.600 0.112 0.000 1.026 10 S CA 1.099 59.386 58.200 0.145 0.000 0.981 10 S CB -0.902 62.356 63.200 0.097 0.000 0.818 10 S HN 0.291 nan 8.310 nan 0.000 0.472 11 R N 1.458 122.004 120.500 0.076 0.000 2.091 11 R HA 0.095 4.435 4.340 -0.000 0.000 0.238 11 R C 2.145 178.492 176.300 0.078 0.000 1.136 11 R CA 1.465 57.598 56.100 0.055 0.000 0.959 11 R CB -1.557 28.756 30.300 0.021 0.000 0.856 11 R HN 0.728 nan 8.270 nan 0.000 0.437 12 I N 0.652 121.291 120.570 0.114 0.000 2.226 12 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 12 I C 2.657 178.871 176.117 0.162 0.000 1.100 12 I CA 1.828 63.224 61.300 0.161 0.000 1.374 12 I CB -0.462 37.704 38.000 0.276 0.000 1.057 12 I HN 0.322 nan 8.210 nan 0.000 0.413 13 V N 1.091 121.126 119.914 0.202 0.000 2.323 13 V HA -0.253 3.867 4.120 -0.000 0.000 0.244 13 V C 2.683 178.826 176.094 0.081 0.000 1.041 13 V CA 1.926 64.314 62.300 0.146 0.000 1.025 13 V CB -0.568 31.366 31.823 0.185 0.000 0.656 13 V HN 0.434 nan 8.190 nan 0.000 0.451 14 R N -0.172 120.376 120.500 0.080 0.000 2.094 14 R HA -0.240 4.100 4.340 -0.000 0.000 0.239 14 R C 2.063 178.391 176.300 0.047 0.000 1.137 14 R CA 2.717 58.850 56.100 0.054 0.000 0.943 14 R CB -0.835 29.497 30.300 0.052 0.000 0.850 14 R HN 0.607 nan 8.270 nan 0.000 0.433 15 D N 0.007 120.439 120.400 0.053 0.000 2.097 15 D HA -0.113 4.527 4.640 -0.000 0.000 0.195 15 D C 2.030 178.355 176.300 0.042 0.000 0.989 15 D CA 1.292 55.322 54.000 0.049 0.000 0.827 15 D CB -0.245 40.587 40.800 0.053 0.000 0.966 15 D HN 0.104 nan 8.370 nan 0.000 0.456 16 V N 0.931 120.863 119.914 0.030 0.000 2.332 16 V HA -0.236 3.883 4.120 -0.000 0.000 0.248 16 V C 2.400 178.491 176.094 -0.006 0.000 1.055 16 V CA 1.750 64.047 62.300 -0.005 0.000 1.038 16 V CB -0.410 31.388 31.823 -0.041 0.000 0.651 16 V HN 0.250 nan 8.190 nan 0.000 0.450 17 E N -0.317 119.886 120.200 0.006 0.000 2.110 17 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 17 E C 2.500 179.109 176.600 0.014 0.000 0.988 17 E CA 0.881 57.283 56.400 0.004 0.000 0.804 17 E CB 0.054 29.761 29.700 0.011 0.000 0.745 17 E HN 0.368 nan 8.360 nan 0.000 0.458 18 R N 0.251 120.767 120.500 0.027 0.000 2.075 18 R HA -0.071 4.269 4.340 -0.000 0.000 0.232 18 R C 2.492 178.821 176.300 0.049 0.000 1.126 18 R CA 0.732 56.851 56.100 0.031 0.000 0.963 18 R CB -0.786 29.536 30.300 0.037 0.000 0.858 18 R HN 0.312 nan 8.270 nan 0.000 0.435 19 L N 0.396 121.665 121.223 0.078 0.000 2.131 19 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 19 L C 2.234 179.186 176.870 0.137 0.000 1.092 19 L CA 0.734 55.670 54.840 0.160 0.000 0.759 19 L CB -0.321 41.833 42.059 0.158 0.000 0.903 19 L HN 0.078 nan 8.230 nan 0.000 0.435 20 I N -0.005 120.593 120.570 0.048 0.000 2.439 20 I HA -0.148 4.022 4.170 -0.000 0.000 0.251 20 I C 2.505 178.630 176.117 0.015 0.000 1.139 20 I CA 1.290 62.600 61.300 0.016 0.000 1.438 20 I CB -0.975 37.006 38.000 -0.031 0.000 1.085 20 I HN 0.161 nan 8.210 nan 0.000 0.427 21 A N 0.585 123.410 122.820 0.009 0.000 2.195 21 A HA 0.124 4.444 4.320 -0.000 0.000 0.210 21 A C 1.123 178.691 177.584 -0.027 0.000 1.165 21 A CA -0.086 51.947 52.037 -0.007 0.000 0.806 21 A CB -0.515 18.482 19.000 -0.005 0.000 0.847 21 A HN 0.166 nan 8.150 nan 0.000 0.482 22 V N 0.014 119.907 119.914 -0.036 0.000 2.694 22 V HA 0.070 4.190 4.120 -0.000 0.000 0.306 22 V C 0.111 176.129 176.094 -0.126 0.000 1.054 22 V CA -0.811 61.436 62.300 -0.087 0.000 1.161 22 V CB -0.106 31.626 31.823 -0.152 0.000 0.916 22 V HN 0.395 nan 8.190 nan 0.000 0.490 23 E N 3.392 123.496 120.200 -0.160 0.000 2.452 23 E HA 0.163 4.512 4.350 -0.000 0.000 0.261 23 E C -0.311 176.078 176.600 -0.352 0.000 0.987 23 E CA 0.293 56.515 56.400 -0.297 0.000 0.926 23 E CB 0.697 30.126 29.700 -0.451 0.000 0.934 23 E HN 0.683 nan 8.360 nan 0.000 0.452 24 K N 2.373 122.565 120.400 -0.347 0.000 2.316 24 K HA 0.444 4.764 4.320 -0.000 0.000 0.251 24 K C -1.033 175.410 176.600 -0.261 0.000 0.934 24 K CA -0.625 55.522 56.287 -0.233 0.000 0.802 24 K CB 1.351 33.767 32.500 -0.140 0.000 1.171 24 K HN 0.333 nan 8.250 nan 0.000 0.426 25 Y N -0.347 119.993 120.300 0.066 0.000 2.524 25 Y HA 0.463 5.013 4.550 -0.000 0.000 0.344 25 Y C 0.117 176.080 175.900 0.105 0.000 1.012 25 Y CA -0.785 57.358 58.100 0.070 0.000 1.068 25 Y CB 2.501 40.920 38.460 -0.068 0.000 1.249 25 Y HN 0.515 nan 8.280 nan 0.000 0.468 26 S N 2.107 117.977 115.700 0.283 0.000 2.548 26 S HA 0.659 5.129 4.470 -0.000 0.000 0.286 26 S C -2.013 172.627 174.600 0.066 0.000 1.098 26 S CA -0.632 57.677 58.200 0.182 0.000 0.930 26 S CB 1.155 64.538 63.200 0.306 0.000 1.070 26 S HN 0.604 nan 8.310 nan 0.000 0.480 27 L N 4.059 125.272 121.223 -0.017 0.000 2.282 27 L HA 0.613 4.953 4.340 -0.000 0.000 0.288 27 L C 0.607 177.417 176.870 -0.100 0.000 1.033 27 L CA 0.205 54.992 54.840 -0.087 0.000 0.807 27 L CB 1.323 43.295 42.059 -0.144 0.000 1.209 27 L HN 0.787 nan 8.230 nan 0.000 0.423 28 Q N 3.802 123.548 119.800 -0.090 0.000 2.431 28 Q HA 0.512 4.851 4.340 -0.000 0.000 0.244 28 Q C 0.548 176.491 176.000 -0.095 0.000 0.880 28 Q CA 0.658 56.418 55.803 -0.071 0.000 0.954 28 Q CB 1.318 30.034 28.738 -0.036 0.000 1.105 28 Q HN 0.921 nan 8.270 nan 0.000 0.558 29 G N -0.468 108.248 108.800 -0.140 0.000 2.344 29 G HA2 0.316 4.276 3.960 -0.000 0.000 0.282 29 G HA3 0.316 4.276 3.960 -0.000 0.000 0.282 29 G C -1.818 172.932 174.900 -0.250 0.000 1.281 29 G CA -0.474 44.498 45.100 -0.214 0.000 0.877 29 G HN -0.104 nan 8.290 nan 0.000 0.494 30 V N 0.763 120.465 119.914 -0.354 0.000 2.525 30 V HA 0.721 4.841 4.120 -0.000 0.000 0.299 30 V C 0.302 176.332 176.094 -0.106 0.000 1.034 30 V CA -0.289 61.877 62.300 -0.224 0.000 0.863 30 V CB 1.036 32.689 31.823 -0.282 0.000 0.999 30 V HN 1.535 nan 8.190 nan 0.000 0.423 31 V N 0.920 120.832 119.914 -0.004 0.000 3.113 31 V HA 0.905 5.025 4.120 -0.000 0.000 0.316 31 V C 0.065 176.202 176.094 0.072 0.000 1.125 31 V CA -0.049 62.273 62.300 0.037 0.000 1.026 31 V CB 1.532 33.370 31.823 0.024 0.000 1.080 31 V HN 0.944 nan 8.190 nan 0.000 0.444 32 D N 1.654 122.098 120.400 0.074 0.000 3.321 32 D HA -0.150 4.490 4.640 -0.000 0.000 0.178 32 D C 0.751 177.104 176.300 0.089 0.000 1.208 32 D CA 2.238 56.281 54.000 0.071 0.000 1.074 32 D CB -1.370 39.464 40.800 0.056 0.000 0.560 32 D HN 1.653 nan 8.370 nan 0.000 0.618 33 G N -0.334 108.515 108.800 0.082 0.000 3.515 33 G HA2 0.398 4.358 3.960 -0.000 0.000 0.288 33 G HA3 0.398 4.358 3.960 -0.000 0.000 0.288 33 G C -0.643 174.324 174.900 0.112 0.000 1.012 33 G CA 0.541 45.690 45.100 0.081 0.000 1.689 33 G HN 0.635 nan 8.290 nan 0.000 0.572 34 D N 0.194 120.688 120.400 0.156 0.000 2.746 34 D HA -0.124 4.515 4.640 -0.000 0.000 0.241 34 D C 0.254 176.802 176.300 0.413 0.000 1.140 34 D CA 1.216 55.368 54.000 0.253 0.000 0.707 34 D CB -0.322 40.552 40.800 0.123 0.000 1.034 34 D HN 0.500 nan 8.370 nan 0.000 0.423 35 K N 0.455 121.028 120.400 0.288 0.000 2.259 35 K HA 0.527 4.847 4.320 -0.000 0.000 0.252 35 K C 0.525 177.151 176.600 0.043 0.000 0.936 35 K CA -0.939 55.474 56.287 0.210 0.000 0.810 35 K CB 1.777 34.342 32.500 0.108 0.000 1.143 35 K HN 0.029 nan 8.250 nan 0.000 0.427 36 L N 2.776 123.904 121.223 -0.158 0.000 2.416 36 L HA 0.146 4.486 4.340 -0.000 0.000 0.272 36 L C -0.080 176.733 176.870 -0.096 0.000 1.161 36 L CA -0.669 54.030 54.840 -0.236 0.000 0.845 36 L CB 0.076 41.889 42.059 -0.411 0.000 1.119 36 L HN 0.345 nan 8.230 nan 0.000 0.464 37 L N 5.963 127.130 121.223 -0.092 0.000 2.259 37 L HA 0.479 4.819 4.340 -0.000 0.000 0.288 37 L C -0.266 176.576 176.870 -0.046 0.000 1.051 37 L CA -0.227 54.586 54.840 -0.045 0.000 0.824 37 L CB 1.183 43.214 42.059 -0.046 0.000 1.206 37 L HN 0.365 nan 8.230 nan 0.000 0.429 38 V N 3.865 123.783 119.914 0.006 0.000 2.769 38 V HA 0.763 4.882 4.120 -0.000 0.000 0.312 38 V C -0.641 175.509 176.094 0.093 0.000 1.061 38 V CA -0.690 61.624 62.300 0.023 0.000 0.931 38 V CB 1.917 33.741 31.823 0.002 0.000 1.010 38 V HN 0.386 nan 8.190 nan 0.000 0.433 39 V N 3.462 123.401 119.914 0.042 0.000 2.472 39 V HA 0.819 4.939 4.120 -0.000 0.000 0.290 39 V C 0.896 176.932 176.094 -0.097 0.000 1.037 39 V CA 0.391 62.647 62.300 -0.073 0.000 0.908 39 V CB 1.565 33.237 31.823 -0.251 0.000 0.985 39 V HN 1.285 nan 8.190 nan 0.000 0.454 40 G N 3.367 112.100 108.800 -0.111 0.000 2.416 40 G HA2 0.695 4.655 3.960 -0.000 0.000 0.324 40 G HA3 0.695 4.655 3.960 -0.000 0.000 0.324 40 G C -1.258 173.391 174.900 -0.419 0.000 1.194 40 G CA -0.318 44.646 45.100 -0.227 0.000 0.922 40 G HN 0.409 nan 8.290 nan 0.000 0.467 41 F N 0.870 120.713 119.950 -0.178 0.000 2.492 41 F HA 0.706 5.233 4.527 -0.000 0.000 0.327 41 F C 0.589 176.299 175.800 -0.151 0.000 1.079 41 F CA -0.876 57.053 58.000 -0.119 0.000 0.967 41 F CB 2.875 41.812 39.000 -0.104 0.000 1.169 41 F HN 0.427 nan 8.300 nan 0.000 0.472 42 S N 1.941 117.699 115.700 0.097 0.000 2.750 42 S HA 0.294 4.764 4.470 -0.000 0.000 0.276 42 S C -0.738 173.885 174.600 0.039 0.000 1.165 42 S CA -0.585 57.633 58.200 0.030 0.000 1.047 42 S CB 0.293 63.483 63.200 -0.016 0.000 1.056 42 S HN 0.784 nan 8.310 nan 0.000 0.481 43 E N 2.920 123.138 120.200 0.030 0.000 2.476 43 E HA -0.236 4.114 4.350 -0.000 0.000 0.251 43 E C 0.922 177.546 176.600 0.041 0.000 1.130 43 E CA 0.650 57.061 56.400 0.020 0.000 0.736 43 E CB -1.948 27.756 29.700 0.005 0.000 1.298 43 E HN 1.644 nan 8.360 nan 0.000 0.400 44 G N 0.096 108.947 108.800 0.085 0.000 2.186 44 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.266 44 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.266 44 G C 0.315 175.299 174.900 0.140 0.000 0.982 44 G CA 0.785 45.968 45.100 0.139 0.000 0.670 44 G HN 0.537 nan 8.290 nan 0.000 0.533 45 S N -0.258 115.494 115.700 0.087 0.000 2.510 45 S HA 0.497 4.967 4.470 -0.000 0.000 0.279 45 S C 0.535 175.140 174.600 0.009 0.000 1.284 45 S CA -0.113 58.110 58.200 0.039 0.000 1.059 45 S CB 0.770 63.977 63.200 0.010 0.000 0.901 45 S HN 0.748 nan 8.310 nan 0.000 0.491 46 V N 6.898 126.778 119.914 -0.058 0.000 2.483 46 V HA 0.583 4.703 4.120 -0.000 0.000 0.295 46 V C 0.088 176.047 176.094 -0.225 0.000 1.035 46 V CA -0.948 61.214 62.300 -0.229 0.000 0.896 46 V CB 1.697 33.370 31.823 -0.250 0.000 0.986 46 V HN 0.828 nan 8.190 nan 0.000 0.447 47 N N 1.533 120.067 118.700 -0.277 0.000 2.357 47 N HA 0.754 5.494 4.740 -0.000 0.000 0.284 47 N C -0.942 174.320 175.510 -0.413 0.000 1.236 47 N CA -0.432 52.420 53.050 -0.330 0.000 0.774 47 N CB 2.658 40.954 38.487 -0.318 0.000 1.534 47 N HN 0.805 nan 8.380 nan 0.000 0.478 48 A N 1.180 123.684 122.820 -0.526 0.000 2.330 48 A HA 0.759 5.079 4.320 -0.000 0.000 0.327 48 A C -1.656 175.618 177.584 -0.517 0.000 1.155 48 A CA -0.376 51.441 52.037 -0.367 0.000 0.803 48 A CB 0.500 19.369 19.000 -0.219 0.000 1.208 48 A HN 0.596 nan 8.150 nan 0.000 0.477 49 Y N 0.878 121.147 120.300 -0.053 0.000 2.512 49 Y HA 0.516 5.066 4.550 -0.000 0.000 0.348 49 Y C -0.104 175.785 175.900 -0.019 0.000 0.990 49 Y CA -0.769 57.317 58.100 -0.024 0.000 1.033 49 Y CB 1.808 40.273 38.460 0.009 0.000 1.259 49 Y HN 0.551 nan 8.280 nan 0.000 0.461 50 L N 3.083 124.391 121.223 0.142 0.000 2.331 50 L HA 0.255 4.595 4.340 -0.000 0.000 0.278 50 L C -1.006 175.930 176.870 0.109 0.000 1.106 50 L CA -0.495 54.398 54.840 0.088 0.000 0.824 50 L CB 0.490 42.575 42.059 0.044 0.000 1.142 50 L HN 0.613 nan 8.230 nan 0.000 0.443 51 Y N 3.027 123.285 120.300 -0.071 0.000 2.328 51 Y HA 0.495 5.045 4.550 -0.000 0.000 0.336 51 Y C -0.822 175.024 175.900 -0.089 0.000 0.960 51 Y CA -0.525 57.498 58.100 -0.128 0.000 1.134 51 Y CB 1.490 39.787 38.460 -0.271 0.000 1.166 51 Y HN 0.623 nan 8.280 nan 0.000 0.464 52 D N 2.961 123.011 120.400 -0.584 0.000 2.655 52 D HA 0.433 5.072 4.640 -0.000 0.000 0.229 52 D C 0.032 176.093 176.300 -0.400 0.000 1.229 52 D CA 0.255 54.073 54.000 -0.304 0.000 0.807 52 D CB 1.699 42.536 40.800 0.061 0.000 1.514 52 D HN 0.904 nan 8.370 nan 0.000 0.444 53 G N 1.289 110.008 108.800 -0.135 0.000 2.366 53 G HA2 0.123 4.083 3.960 -0.000 0.000 0.299 53 G HA3 0.123 4.083 3.960 -0.000 0.000 0.299 53 G C 1.108 175.907 174.900 -0.168 0.000 1.020 53 G CA 1.055 46.102 45.100 -0.088 0.000 1.026 53 G HN 1.685 nan 8.290 nan 0.000 0.512 54 G N -1.520 107.118 108.800 -0.270 0.000 2.233 54 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.270 54 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.270 54 G C 0.167 174.986 174.900 -0.134 0.000 1.011 54 G CA 1.352 46.387 45.100 -0.109 0.000 0.762 54 G HN 1.033 nan 8.290 nan 0.000 0.511 55 E N -0.777 119.243 120.200 -0.299 0.000 2.336 55 E HA 0.667 5.017 4.350 -0.000 0.000 0.267 55 E C 0.044 176.553 176.600 -0.151 0.000 0.906 55 E CA -0.305 56.009 56.400 -0.143 0.000 0.781 55 E CB 1.753 31.397 29.700 -0.094 0.000 1.261 55 E HN 0.327 nan 8.360 nan 0.000 0.436 56 T N -2.006 112.537 114.554 -0.018 0.000 2.908 56 T HA 0.689 5.039 4.350 -0.000 0.000 0.290 56 T C -0.638 174.116 174.700 0.090 0.000 1.034 56 T CA -0.716 61.414 62.100 0.049 0.000 1.010 56 T CB 1.257 70.153 68.868 0.048 0.000 1.068 56 T HN 0.139 nan 8.240 nan 0.000 0.481 57 V N 1.927 121.925 119.914 0.141 0.000 2.638 57 V HA 0.501 4.621 4.120 -0.000 0.000 0.306 57 V C 0.020 176.212 176.094 0.163 0.000 1.052 57 V CA -1.122 61.254 62.300 0.125 0.000 0.885 57 V CB 1.959 33.812 31.823 0.051 0.000 0.999 57 V HN 1.024 nan 8.190 nan 0.000 0.424 58 K N 2.968 123.429 120.400 0.100 0.000 2.322 58 K HA 0.403 4.723 4.320 -0.000 0.000 0.283 58 K C 0.410 176.915 176.600 -0.158 0.000 1.042 58 K CA -0.256 55.933 56.287 -0.162 0.000 0.958 58 K CB 0.869 33.277 32.500 -0.153 0.000 0.984 58 K HN 0.629 nan 8.250 nan 0.000 0.473 59 L N 2.971 124.054 121.223 -0.233 0.000 2.221 59 L HA -0.039 4.300 4.340 -0.000 0.000 0.202 59 L C 1.177 177.954 176.870 -0.154 0.000 1.074 59 L CA 0.202 54.953 54.840 -0.149 0.000 0.795 59 L CB -0.239 41.740 42.059 -0.133 0.000 0.960 59 L HN 0.734 nan 8.230 nan 0.000 0.458 60 N N -0.447 118.123 118.700 -0.217 0.000 2.448 60 N HA 0.166 4.906 4.740 -0.000 0.000 0.274 60 N C 0.360 175.761 175.510 -0.181 0.000 1.239 60 N CA -0.502 52.428 53.050 -0.199 0.000 0.982 60 N CB 1.299 39.646 38.487 -0.233 0.000 1.199 60 N HN -0.012 nan 8.380 nan 0.000 0.576 61 R N -0.401 119.993 120.500 -0.176 0.000 1.906 61 R HA 0.167 4.507 4.340 -0.000 0.000 0.186 61 R C 0.113 176.324 176.300 -0.148 0.000 1.615 61 R CA -0.011 56.002 56.100 -0.144 0.000 1.265 61 R CB -0.389 29.833 30.300 -0.130 0.000 0.976 61 R HN 0.631 nan 8.270 nan 0.000 0.487 62 E N 1.906 122.009 120.200 -0.161 0.000 2.374 62 E HA 0.196 4.546 4.350 -0.000 0.000 0.260 62 E C -2.202 174.302 176.600 -0.160 0.000 1.101 62 E CA -1.875 54.439 56.400 -0.143 0.000 0.907 62 E CB 0.024 29.637 29.700 -0.145 0.000 1.014 62 E HN 0.065 nan 8.360 nan 0.000 0.427 63 P HA 0.047 nan 4.420 nan 0.000 0.269 63 P C -0.153 177.069 177.300 -0.129 0.000 1.217 63 P CA 0.371 63.398 63.100 -0.122 0.000 0.783 63 P CB 0.365 32.019 31.700 -0.076 0.000 0.898 64 I N -1.853 118.641 120.570 -0.126 0.000 3.445 64 I HA 0.484 4.654 4.170 -0.000 0.000 0.303 64 I C 0.582 176.664 176.117 -0.059 0.000 1.129 64 I CA -0.856 60.379 61.300 -0.108 0.000 0.989 64 I CB 1.919 39.837 38.000 -0.138 0.000 1.314 64 I HN 0.110 nan 8.210 nan 0.000 0.488 65 N N -0.104 118.575 118.700 -0.034 0.000 2.508 65 N HA 0.104 4.844 4.740 -0.000 0.000 0.186 65 N C 0.181 175.680 175.510 -0.019 0.000 1.034 65 N CA 1.242 54.292 53.050 -0.001 0.000 0.885 65 N CB 0.657 39.138 38.487 -0.010 0.000 1.135 65 N HN 0.879 nan 8.380 nan 0.000 0.435 66 S N -1.129 114.537 115.700 -0.057 0.000 2.680 66 S HA 0.488 4.958 4.470 -0.000 0.000 0.276 66 S C -1.062 173.506 174.600 -0.054 0.000 1.189 66 S CA -0.645 57.528 58.200 -0.045 0.000 0.909 66 S CB 1.354 64.554 63.200 0.001 0.000 1.227 66 S HN 0.042 nan 8.310 nan 0.000 0.501 67 V N -1.229 118.666 119.914 -0.031 0.000 3.049 67 V HA 0.741 4.860 4.120 -0.000 0.000 0.309 67 V C -0.903 175.196 176.094 0.009 0.000 1.148 67 V CA -1.123 61.163 62.300 -0.024 0.000 0.990 67 V CB 1.280 33.082 31.823 -0.034 0.000 1.039 67 V HN 0.989 nan 8.190 nan 0.000 0.430 68 L N 1.563 122.796 121.223 0.017 0.000 2.357 68 L HA 0.506 4.846 4.340 -0.000 0.000 0.273 68 L C -0.199 176.709 176.870 0.063 0.000 1.080 68 L CA -0.628 54.243 54.840 0.052 0.000 0.803 68 L CB 0.977 43.065 42.059 0.048 0.000 1.174 68 L HN 0.679 nan 8.230 nan 0.000 0.443 69 D N 3.380 123.839 120.400 0.097 0.000 2.450 69 D HA 0.130 4.770 4.640 -0.000 0.000 0.247 69 D C -2.182 174.186 176.300 0.114 0.000 1.162 69 D CA -0.748 53.317 54.000 0.108 0.000 0.879 69 D CB 0.527 41.422 40.800 0.158 0.000 1.163 69 D HN 0.231 nan 8.370 nan 0.000 0.472 70 P HA 0.156 nan 4.420 nan 0.000 0.286 70 P C -0.273 177.156 177.300 0.215 0.000 1.261 70 P CA -0.387 62.779 63.100 0.110 0.000 0.821 70 P CB 1.118 32.852 31.700 0.057 0.000 1.013 71 H N 0.731 119.865 119.070 0.106 0.000 2.790 71 H HA 0.042 4.598 4.556 -0.000 0.000 0.358 71 H C 0.144 175.577 175.328 0.176 0.000 1.103 71 H CA -0.246 55.903 56.048 0.169 0.000 1.426 71 H CB 0.191 30.046 29.762 0.156 0.000 1.424 71 H HN 0.383 nan 8.280 nan 0.000 0.599 72 Y N 0.605 120.999 120.300 0.156 0.000 2.895 72 Y HA -0.145 4.405 4.550 0.000 0.000 0.334 72 Y C 1.618 177.593 175.900 0.125 0.000 1.261 72 Y CA 1.741 59.913 58.100 0.120 0.000 1.560 72 Y CB 0.050 38.558 38.460 0.079 0.000 1.253 72 Y HN 1.031 nan 8.280 nan 0.000 0.582 73 G N 1.008 109.939 108.800 0.219 0.000 2.225 73 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.254 73 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.254 73 G C 0.082 175.057 174.900 0.126 0.000 0.988 73 G CA -0.087 45.114 45.100 0.168 0.000 0.625 73 G HN 1.192 nan 8.290 nan 0.000 0.527 74 V N -0.291 119.700 119.914 0.130 0.000 2.814 74 V HA 0.533 4.653 4.120 -0.000 0.000 0.307 74 V C 1.445 177.580 176.094 0.067 0.000 1.089 74 V CA 0.964 63.320 62.300 0.094 0.000 1.212 74 V CB 1.238 33.113 31.823 0.087 0.000 0.912 74 V HN 1.309 nan 8.190 nan 0.000 0.497 75 G N 5.025 113.857 108.800 0.054 0.000 3.440 75 G HA2 0.375 4.335 3.960 -0.000 0.000 0.263 75 G HA3 0.375 4.335 3.960 -0.000 0.000 0.263 75 G C 0.467 175.385 174.900 0.031 0.000 1.236 75 G CA -0.025 45.099 45.100 0.041 0.000 0.927 75 G HN 1.146 nan 8.290 nan 0.000 0.530 76 R N -2.024 118.493 120.500 0.029 0.000 2.795 76 R HA 0.723 5.063 4.340 -0.000 0.000 0.268 76 R C -2.201 174.109 176.300 0.017 0.000 1.041 76 R CA -0.630 55.482 56.100 0.020 0.000 0.927 76 R CB 1.304 31.615 30.300 0.019 0.000 1.235 76 R HN -0.109 nan 8.270 nan 0.000 0.463 77 V N 1.473 121.393 119.914 0.009 0.000 2.925 77 V HA 0.478 4.598 4.120 -0.000 0.000 0.311 77 V C -0.597 175.500 176.094 0.005 0.000 1.104 77 V CA -0.992 61.310 62.300 0.003 0.000 0.954 77 V CB 2.267 34.083 31.823 -0.012 0.000 1.022 77 V HN 0.577 nan 8.190 nan 0.000 0.427 78 I N 4.858 125.430 120.570 0.003 0.000 2.371 78 I HA 0.374 4.544 4.170 -0.000 0.000 0.282 78 I C -0.114 176.004 176.117 0.001 0.000 1.031 78 I CA -0.153 61.147 61.300 0.001 0.000 1.180 78 I CB 1.145 39.135 38.000 -0.016 0.000 1.336 78 I HN 0.415 nan 8.210 nan 0.000 0.467 79 L N 6.253 127.495 121.223 0.032 0.000 2.397 79 L HA 0.378 4.718 4.340 -0.000 0.000 0.271 79 L C 0.017 176.929 176.870 0.070 0.000 1.148 79 L CA -0.541 54.314 54.840 0.026 0.000 0.825 79 L CB 0.838 42.899 42.059 0.004 0.000 1.117 79 L HN 0.201 nan 8.230 nan 0.000 0.456 80 V N 3.549 123.468 119.914 0.008 0.000 2.417 80 V HA 0.570 4.690 4.120 -0.000 0.000 0.291 80 V C -0.066 176.037 176.094 0.015 0.000 1.024 80 V CA -0.629 61.667 62.300 -0.007 0.000 0.861 80 V CB 1.511 33.254 31.823 -0.133 0.000 0.985 80 V HN 0.774 nan 8.190 nan 0.000 0.436 81 R N 2.258 122.841 120.500 0.139 0.000 2.651 81 R HA 0.419 4.758 4.340 -0.000 0.000 0.278 81 R C -1.428 175.030 176.300 0.263 0.000 1.010 81 R CA -0.762 55.424 56.100 0.142 0.000 0.896 81 R CB 1.978 32.286 30.300 0.013 0.000 1.211 81 R HN 0.681 nan 8.270 nan 0.000 0.456 82 D N 3.322 123.863 120.400 0.235 0.000 2.455 82 D HA 0.058 4.697 4.640 -0.000 0.000 0.241 82 D C 1.266 177.641 176.300 0.125 0.000 1.138 82 D CA 0.505 54.621 54.000 0.193 0.000 0.877 82 D CB 1.447 42.314 40.800 0.112 0.000 1.187 82 D HN 0.569 nan 8.370 nan 0.000 0.451 83 V N 1.188 121.152 119.914 0.084 0.000 2.273 83 V HA 0.044 4.164 4.120 -0.000 0.000 0.242 83 V C 1.385 177.507 176.094 0.047 0.000 1.035 83 V CA 2.198 64.544 62.300 0.077 0.000 1.013 83 V CB -0.927 30.921 31.823 0.041 0.000 0.652 83 V HN 0.635 nan 8.190 nan 0.000 0.452 84 S N 0.619 116.331 115.700 0.020 0.000 2.758 84 S HA 0.657 5.127 4.470 -0.000 0.000 0.292 84 S C 0.206 174.814 174.600 0.013 0.000 1.131 84 S CA -0.850 57.358 58.200 0.014 0.000 0.997 84 S CB 0.466 63.668 63.200 0.004 0.000 1.111 84 S HN 0.449 nan 8.310 nan 0.000 0.552 85 K N 0.820 121.226 120.400 0.010 0.000 2.312 85 K HA 0.422 4.742 4.320 -0.000 0.000 0.287 85 K C 1.006 177.612 176.600 0.010 0.000 1.062 85 K CA 0.304 56.597 56.287 0.011 0.000 0.934 85 K CB -0.103 32.401 32.500 0.007 0.000 1.027 85 K HN 1.502 nan 8.250 nan 0.000 0.478 86 G N 1.593 110.403 108.800 0.017 0.000 2.205 86 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.269 86 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.269 86 G C 0.488 175.393 174.900 0.010 0.000 0.977 86 G CA 0.739 45.850 45.100 0.018 0.000 0.652 86 G HN 0.954 nan 8.290 nan 0.000 0.539 87 A N -0.939 121.878 122.820 -0.006 0.000 2.280 87 A HA 0.744 5.064 4.320 -0.000 0.000 0.268 87 A C 1.418 178.959 177.584 -0.072 0.000 1.111 87 A CA 1.479 53.499 52.037 -0.028 0.000 0.814 87 A CB 0.177 19.157 19.000 -0.033 0.000 1.093 87 A HN 1.490 nan 8.150 nan 0.000 0.498 88 E N -0.473 119.676 120.200 -0.085 0.000 2.358 88 E HA 0.002 4.352 4.350 -0.000 0.000 0.195 88 E C 0.730 177.096 176.600 -0.391 0.000 1.010 88 E CA 0.716 57.027 56.400 -0.148 0.000 0.856 88 E CB -0.383 29.298 29.700 -0.032 0.000 0.795 88 E HN 0.644 nan 8.360 nan 0.000 0.504 89 Q N 0.321 119.950 119.800 -0.285 0.000 2.352 89 Q HA 0.402 4.742 4.340 -0.000 0.000 0.260 89 Q C -0.882 174.909 176.000 -0.350 0.000 0.976 89 Q CA 0.183 55.826 55.803 -0.267 0.000 0.881 89 Q CB 0.697 29.377 28.738 -0.097 0.000 1.235 89 Q HN 0.718 nan 8.270 nan 0.000 0.419 90 H N -0.934 118.160 119.070 0.041 0.000 2.821 90 H HA 0.750 5.306 4.556 -0.000 0.000 0.373 90 H C -0.937 174.396 175.328 0.009 0.000 1.165 90 H CA -0.879 55.194 56.048 0.043 0.000 1.154 90 H CB 1.946 31.732 29.762 0.041 0.000 1.765 90 H HN 0.751 nan 8.280 nan 0.000 0.549 91 A N 2.057 124.991 122.820 0.190 0.000 2.354 91 A HA 0.668 4.988 4.320 -0.000 0.000 0.321 91 A C -1.142 176.412 177.584 -0.050 0.000 1.125 91 A CA -0.728 51.306 52.037 -0.006 0.000 0.799 91 A CB 0.998 19.961 19.000 -0.062 0.000 1.293 91 A HN 0.560 nan 8.150 nan 0.000 0.452 92 L N 0.661 121.686 121.223 -0.332 0.000 2.325 92 L HA 0.659 4.999 4.340 -0.000 0.000 0.278 92 L C -1.437 175.152 176.870 -0.469 0.000 1.023 92 L CA -0.260 54.422 54.840 -0.263 0.000 0.811 92 L CB 1.338 43.203 42.059 -0.323 0.000 1.249 92 L HN 0.661 nan 8.230 nan 0.000 0.431 93 F N 1.432 121.328 119.950 -0.089 0.000 2.561 93 F HA 0.387 4.914 4.527 -0.000 0.000 0.313 93 F C -0.060 175.702 175.800 -0.063 0.000 1.126 93 F CA -0.876 57.084 58.000 -0.067 0.000 0.918 93 F CB 1.906 40.870 39.000 -0.059 0.000 1.199 93 F HN 0.296 nan 8.300 nan 0.000 0.444 94 K N 2.616 123.074 120.400 0.096 0.000 2.143 94 K HA 0.813 5.133 4.320 -0.000 0.000 0.272 94 K C -1.745 174.888 176.600 0.055 0.000 1.001 94 K CA -0.428 55.888 56.287 0.048 0.000 0.915 94 K CB 1.582 34.091 32.500 0.015 0.000 1.047 94 K HN 0.529 nan 8.250 nan 0.000 0.458 95 V N 4.096 124.028 119.914 0.028 0.000 2.525 95 V HA 0.151 4.271 4.120 -0.000 0.000 0.299 95 V C -0.466 175.632 176.094 0.008 0.000 1.034 95 V CA -1.149 61.158 62.300 0.012 0.000 0.863 95 V CB 1.439 33.256 31.823 -0.010 0.000 0.999 95 V HN 0.915 nan 8.190 nan 0.000 0.423 96 N N 2.832 121.537 118.700 0.009 0.000 2.452 96 N HA -0.006 4.733 4.740 -0.000 0.000 0.266 96 N C 1.462 176.976 175.510 0.007 0.000 1.175 96 N CA 0.681 53.737 53.050 0.010 0.000 0.945 96 N CB 1.880 40.373 38.487 0.011 0.000 1.063 96 N HN 0.893 nan 8.380 nan 0.000 0.472 97 T N 0.266 114.826 114.554 0.011 0.000 2.977 97 T HA -0.086 4.264 4.350 -0.000 0.000 0.271 97 T C 1.503 176.210 174.700 0.011 0.000 1.105 97 T CA 1.009 63.115 62.100 0.010 0.000 1.116 97 T CB -0.028 68.851 68.868 0.019 0.000 0.878 97 T HN 0.355 nan 8.240 nan 0.000 0.509 98 S N 0.921 116.628 115.700 0.012 0.000 2.527 98 S HA 0.180 4.650 4.470 -0.000 0.000 0.222 98 S C 0.821 175.425 174.600 0.005 0.000 0.985 98 S CA -0.087 58.119 58.200 0.010 0.000 0.921 98 S CB 0.063 63.270 63.200 0.012 0.000 0.772 98 S HN 0.391 nan 8.310 nan 0.000 0.529 99 R N 1.684 122.186 120.500 0.003 0.000 2.748 99 R HA 0.314 4.654 4.340 -0.000 0.000 0.283 99 R C -3.231 173.064 176.300 -0.007 0.000 1.507 99 R CA -2.051 54.049 56.100 -0.001 0.000 1.666 99 R CB 0.106 30.407 30.300 0.001 0.000 1.237 99 R HN 0.178 nan 8.270 nan 0.000 0.633 100 P HA 0.131 nan 4.420 nan 0.000 0.269 100 P C 0.967 178.249 177.300 -0.029 0.000 1.209 100 P CA 0.670 63.757 63.100 -0.022 0.000 0.776 100 P CB 0.826 32.516 31.700 -0.018 0.000 0.876 101 G N 1.192 109.964 108.800 -0.046 0.000 2.217 101 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.246 101 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.246 101 G C -0.141 174.734 174.900 -0.041 0.000 0.990 101 G CA -0.261 44.808 45.100 -0.052 0.000 0.627 101 G HN 0.580 nan 8.290 nan 0.000 0.522 102 E N 1.180 121.365 120.200 -0.025 0.000 2.134 102 E HA 0.478 4.828 4.350 -0.000 0.000 0.278 102 E C -0.497 176.105 176.600 0.003 0.000 0.959 102 E CA -0.337 56.056 56.400 -0.010 0.000 0.783 102 E CB 1.103 30.802 29.700 -0.002 0.000 1.095 102 E HN 0.518 nan 8.360 nan 0.000 0.399 103 E N 2.579 122.789 120.200 0.017 0.000 2.171 103 E HA 0.161 4.511 4.350 -0.000 0.000 0.271 103 E C -0.753 175.921 176.600 0.122 0.000 0.916 103 E CA -0.559 55.881 56.400 0.068 0.000 0.774 103 E CB 2.016 31.737 29.700 0.035 0.000 1.128 103 E HN 0.296 nan 8.360 nan 0.000 0.403 104 Q N 3.458 123.333 119.800 0.126 0.000 2.368 104 Q HA 0.212 4.552 4.340 -0.000 0.000 0.263 104 Q C -0.694 175.346 176.000 0.067 0.000 1.009 104 Q CA -0.730 55.126 55.803 0.089 0.000 0.818 104 Q CB 1.196 29.954 28.738 0.033 0.000 1.239 104 Q HN 0.416 nan 8.270 nan 0.000 0.464 105 R N 3.606 124.118 120.500 0.019 0.000 2.538 105 R HA 0.060 4.400 4.340 -0.000 0.000 0.282 105 R C -0.446 175.703 176.300 -0.252 0.000 1.009 105 R CA 0.168 56.066 56.100 -0.336 0.000 1.063 105 R CB 0.332 30.419 30.300 -0.356 0.000 0.945 105 R HN 0.602 nan 8.270 nan 0.000 0.414 106 L N 5.840 126.865 121.223 -0.329 0.000 2.375 106 L HA 0.078 4.418 4.340 -0.000 0.000 0.276 106 L C 1.094 177.848 176.870 -0.193 0.000 1.162 106 L CA -0.156 54.559 54.840 -0.208 0.000 0.991 106 L CB 0.743 42.684 42.059 -0.196 0.000 1.315 106 L HN 0.756 nan 8.230 nan 0.000 0.431 107 E N 2.079 122.196 120.200 -0.139 0.000 2.204 107 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 107 E C 2.041 178.590 176.600 -0.086 0.000 0.990 107 E CA 1.142 57.475 56.400 -0.112 0.000 0.821 107 E CB 0.250 29.905 29.700 -0.075 0.000 0.750 107 E HN 0.780 nan 8.360 nan 0.000 0.477 108 A N 1.238 124.017 122.820 -0.068 0.000 2.131 108 A HA -0.075 4.245 4.320 -0.000 0.000 0.220 108 A C 1.413 178.969 177.584 -0.048 0.000 1.158 108 A CA 0.572 52.584 52.037 -0.042 0.000 0.665 108 A CB -0.061 18.928 19.000 -0.017 0.000 0.795 108 A HN 0.033 nan 8.150 nan 0.000 0.460 109 V N 1.807 121.671 119.914 -0.084 0.000 2.353 109 V HA 0.121 4.241 4.120 -0.000 0.000 0.264 109 V C 0.557 176.586 176.094 -0.109 0.000 1.049 109 V CA -0.842 61.398 62.300 -0.099 0.000 0.896 109 V CB 0.639 32.371 31.823 -0.152 0.000 1.025 109 V HN 0.495 nan 8.190 nan 0.000 0.475 110 K N 6.510 126.858 120.400 -0.087 0.000 2.561 110 K HA 0.042 4.362 4.320 -0.000 0.000 0.280 110 K C -2.257 174.303 176.600 -0.067 0.000 0.975 110 K CA -0.901 55.346 56.287 -0.068 0.000 1.024 110 K CB 0.532 33.000 32.500 -0.053 0.000 0.883 110 K HN 0.345 nan 8.250 nan 0.000 0.496 111 P HA 0.008 nan 4.420 nan 0.000 0.268 111 P C -0.680 176.612 177.300 -0.014 0.000 1.205 111 P CA 0.353 63.435 63.100 -0.030 0.000 0.771 111 P CB 0.531 32.219 31.700 -0.019 0.000 0.858 112 M N -0.673 118.933 119.600 0.009 0.000 3.196 112 M HA 0.415 4.895 4.480 -0.000 0.000 0.279 112 M C -1.136 175.220 176.300 0.092 0.000 1.173 112 M CA -1.104 54.218 55.300 0.036 0.000 0.820 112 M CB 1.880 34.505 32.600 0.041 0.000 1.621 112 M HN -0.090 nan 8.290 nan 0.000 0.521 113 R N 1.711 122.292 120.500 0.135 0.000 2.205 113 R HA 0.511 4.851 4.340 -0.000 0.000 0.342 113 R C -1.217 175.307 176.300 0.372 0.000 1.058 113 R CA -0.491 55.757 56.100 0.246 0.000 0.904 113 R CB 0.393 30.815 30.300 0.203 0.000 1.089 113 R HN 0.624 nan 8.270 nan 0.000 0.471 114 I N 6.885 127.771 120.570 0.528 0.000 2.416 114 I HA 0.009 4.178 4.170 -0.000 0.000 0.288 114 I C 1.089 177.364 176.117 0.263 0.000 1.051 114 I CA 0.049 61.518 61.300 0.281 0.000 1.375 114 I CB 1.455 39.491 38.000 0.060 0.000 1.407 114 I HN 0.801 nan 8.210 nan 0.000 0.516 115 L N 4.556 125.946 121.223 0.278 0.000 2.537 115 L HA 0.124 4.464 4.340 -0.000 0.000 0.224 115 L C 0.483 177.577 176.870 0.372 0.000 1.065 115 L CA 0.322 55.343 54.840 0.302 0.000 0.860 115 L CB 0.248 42.385 42.059 0.129 0.000 1.086 115 L HN 0.845 nan 8.230 nan 0.000 0.482 116 S N -1.343 114.544 115.700 0.312 0.000 2.683 116 S HA 0.645 5.115 4.470 -0.000 0.000 0.278 116 S C -0.819 173.962 174.600 0.300 0.000 1.059 116 S CA -0.196 58.200 58.200 0.325 0.000 0.847 116 S CB 1.259 64.707 63.200 0.413 0.000 1.078 116 S HN 0.124 nan 8.310 nan 0.000 0.456 117 G N 0.119 109.073 108.800 0.256 0.000 2.633 117 G HA2 0.561 4.521 3.960 -0.000 0.000 0.299 117 G HA3 0.561 4.521 3.960 -0.000 0.000 0.299 117 G C -1.899 173.118 174.900 0.194 0.000 1.501 117 G CA -0.267 44.988 45.100 0.258 0.000 0.887 117 G HN 1.327 nan 8.290 nan 0.000 0.561 118 V N 1.039 121.065 119.914 0.187 0.000 2.680 118 V HA 0.673 4.793 4.120 -0.000 0.000 0.309 118 V C -1.132 175.017 176.094 0.092 0.000 1.052 118 V CA -0.677 61.708 62.300 0.142 0.000 0.908 118 V CB 2.162 34.076 31.823 0.152 0.000 1.001 118 V HN 0.833 nan 8.190 nan 0.000 0.431 119 D N 1.902 122.330 120.400 0.047 0.000 2.440 119 D HA 0.283 4.923 4.640 -0.000 0.000 0.239 119 D C 0.979 177.210 176.300 -0.115 0.000 1.084 119 D CA 0.002 54.002 54.000 0.000 0.000 0.843 119 D CB 2.051 42.867 40.800 0.026 0.000 1.097 119 D HN 0.664 nan 8.370 nan 0.000 0.531 120 T N 0.819 115.250 114.554 -0.204 0.000 3.148 120 T HA 0.277 4.627 4.350 -0.000 0.000 0.253 120 T C 1.508 176.118 174.700 -0.150 0.000 1.134 120 T CA 0.746 62.591 62.100 -0.425 0.000 1.051 120 T CB -0.065 68.599 68.868 -0.341 0.000 0.959 120 T HN 0.693 nan 8.240 nan 0.000 0.525 121 G N 0.935 109.703 108.800 -0.053 0.000 2.234 121 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.235 121 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.235 121 G C 0.653 175.557 174.900 0.007 0.000 0.997 121 G CA 0.380 45.483 45.100 0.004 0.000 0.623 121 G HN 0.564 nan 8.290 nan 0.000 0.514 122 E N -0.314 119.883 120.200 -0.006 0.000 2.606 122 E HA 0.588 4.938 4.350 -0.000 0.000 0.224 122 E C 0.454 177.060 176.600 0.010 0.000 0.930 122 E CA 0.617 57.022 56.400 0.008 0.000 1.125 122 E CB 1.134 30.842 29.700 0.012 0.000 1.123 122 E HN 0.971 nan 8.360 nan 0.000 0.522 123 A N 0.577 123.399 122.820 0.003 0.000 2.547 123 A HA 0.554 4.874 4.320 -0.000 0.000 0.297 123 A C -1.310 176.297 177.584 0.039 0.000 1.056 123 A CA -0.513 51.540 52.037 0.026 0.000 0.688 123 A CB 1.702 20.715 19.000 0.022 0.000 1.282 123 A HN -0.029 nan 8.150 nan 0.000 0.400 124 V N 2.514 122.484 119.914 0.093 0.000 2.334 124 V HA 0.417 4.537 4.120 -0.000 0.000 0.281 124 V C -0.403 175.849 176.094 0.264 0.000 1.016 124 V CA -0.461 61.930 62.300 0.151 0.000 0.832 124 V CB 1.240 33.148 31.823 0.142 0.000 0.999 124 V HN 0.656 nan 8.190 nan 0.000 0.439 125 V N 7.264 127.312 119.914 0.224 0.000 2.370 125 V HA 0.637 4.757 4.120 -0.000 0.000 0.283 125 V C -0.304 175.973 176.094 0.307 0.000 1.023 125 V CA -0.363 62.051 62.300 0.190 0.000 0.857 125 V CB 0.858 32.748 31.823 0.111 0.000 0.985 125 V HN 0.784 nan 8.190 nan 0.000 0.443 126 F N 1.766 121.804 119.950 0.147 0.000 2.664 126 F HA 0.906 5.433 4.527 0.000 0.000 0.317 126 F C -0.105 175.821 175.800 0.209 0.000 1.108 126 F CA -0.933 57.163 58.000 0.161 0.000 0.957 126 F CB 1.816 40.891 39.000 0.125 0.000 1.365 126 F HN 0.380 nan 8.300 nan 0.000 0.475 127 T N -0.964 113.781 114.554 0.318 0.000 2.855 127 T HA 0.855 5.205 4.350 -0.000 0.000 0.281 127 T C -0.349 174.562 174.700 0.351 0.000 1.007 127 T CA -0.464 61.751 62.100 0.192 0.000 1.009 127 T CB 1.374 70.284 68.868 0.070 0.000 0.983 127 T HN 1.252 nan 8.240 nan 0.000 0.455 128 G N 0.032 109.042 108.800 0.350 0.000 2.642 128 G HA2 0.744 4.704 3.960 -0.000 0.000 0.293 128 G HA3 0.744 4.704 3.960 -0.000 0.000 0.293 128 G C -1.432 173.585 174.900 0.195 0.000 1.341 128 G CA -0.951 44.346 45.100 0.329 0.000 0.916 128 G HN 1.087 nan 8.290 nan 0.000 0.474 129 A N 0.317 123.221 122.820 0.140 0.000 2.331 129 A HA 0.890 5.210 4.320 -0.000 0.000 0.320 129 A C 0.329 177.948 177.584 0.058 0.000 1.138 129 A CA -0.070 51.987 52.037 0.033 0.000 0.790 129 A CB 1.288 20.270 19.000 -0.029 0.000 1.206 129 A HN 1.521 nan 8.150 nan 0.000 0.470 130 T N -1.520 113.051 114.554 0.028 0.000 2.927 130 T HA 0.679 5.029 4.350 -0.000 0.000 0.286 130 T C 1.318 176.022 174.700 0.006 0.000 1.040 130 T CA 0.448 62.565 62.100 0.029 0.000 1.010 130 T CB 0.984 69.878 68.868 0.044 0.000 1.177 130 T HN 1.145 nan 8.240 nan 0.000 0.546 131 E N 1.136 121.342 120.200 0.009 0.000 2.132 131 E HA -0.316 4.034 4.350 -0.000 0.000 0.218 131 E C 1.524 178.119 176.600 -0.007 0.000 1.058 131 E CA 2.475 58.878 56.400 0.005 0.000 0.882 131 E CB -1.454 nan 29.700 nan 0.000 0.774 131 E HN 0.967 nan 8.360 nan 0.000 0.467 132 D N -0.521 119.870 120.400 -0.015 0.000 2.367 132 D HA 0.082 4.722 4.640 -0.000 0.000 0.207 132 D C 0.901 177.166 176.300 -0.058 0.000 1.034 132 D CA 0.677 54.659 54.000 -0.030 0.000 0.861 132 D CB 0.052 40.838 40.800 -0.024 0.000 0.943 132 D HN 0.680 nan 8.370 nan 0.000 0.515 133 R N -1.571 118.886 120.500 -0.071 0.000 2.728 133 R HA 0.561 4.901 4.340 -0.000 0.000 0.274 133 R C -2.176 174.039 176.300 -0.142 0.000 1.032 133 R CA -0.979 55.052 56.100 -0.115 0.000 0.866 133 R CB 0.976 31.214 30.300 -0.103 0.000 1.263 133 R HN -0.179 nan 8.270 nan 0.000 0.475 134 V N 0.706 120.492 119.914 -0.213 0.000 2.495 134 V HA 0.892 5.012 4.120 -0.000 0.000 0.298 134 V C -0.375 175.568 176.094 -0.252 0.000 1.031 134 V CA -0.159 62.005 62.300 -0.227 0.000 0.871 134 V CB 1.282 32.901 31.823 -0.340 0.000 0.988 134 V HN 0.991 nan 8.190 nan 0.000 0.432 135 A N 3.933 126.606 122.820 -0.245 0.000 2.527 135 A HA 0.931 5.251 4.320 -0.000 0.000 0.293 135 A C -1.544 175.718 177.584 -0.536 0.000 1.117 135 A CA -0.689 51.047 52.037 -0.501 0.000 0.723 135 A CB 1.774 20.268 19.000 -0.843 0.000 1.313 135 A HN 0.819 nan 8.150 nan 0.000 0.411 136 L N 1.188 122.056 121.223 -0.593 0.000 2.280 136 L HA 0.671 5.011 4.340 -0.000 0.000 0.287 136 L C -1.585 174.927 176.870 -0.598 0.000 1.023 136 L CA -0.147 54.429 54.840 -0.440 0.000 0.819 136 L CB 0.094 41.992 42.059 -0.269 0.000 1.212 136 L HN 0.591 nan 8.230 nan 0.000 0.420 137 Y N 3.548 123.567 120.300 -0.468 0.000 2.457 137 Y HA 0.817 5.367 4.550 0.000 0.000 0.333 137 Y C 0.300 175.936 175.900 -0.440 0.000 1.119 137 Y CA -0.564 57.203 58.100 -0.555 0.000 1.143 137 Y CB 1.949 39.808 38.460 -1.002 0.000 1.230 137 Y HN 0.698 nan 8.280 nan 0.000 0.469 138 A N 2.770 125.551 122.820 -0.065 0.000 2.422 138 A HA 0.753 5.073 4.320 -0.000 0.000 0.302 138 A C -1.990 175.647 177.584 0.087 0.000 1.041 138 A CA -0.655 51.394 52.037 0.019 0.000 0.708 138 A CB 1.266 20.275 19.000 0.014 0.000 1.257 138 A HN 0.794 nan 8.150 nan 0.000 0.414 139 L N 2.644 123.957 121.223 0.150 0.000 2.385 139 L HA 0.850 5.189 4.340 -0.000 0.000 0.273 139 L C -1.161 175.764 176.870 0.090 0.000 0.990 139 L CA -0.174 54.752 54.840 0.145 0.000 0.821 139 L CB 1.976 44.178 42.059 0.239 0.000 1.279 139 L HN 1.022 nan 8.230 nan 0.000 0.412 143 G N 0.251 109.064 108.800 0.021 0.000 2.601 143 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.252 143 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.252 143 G C 0.222 175.146 174.900 0.041 0.000 1.294 143 G CA -0.003 45.111 45.100 0.025 0.000 0.912 143 G HN 1.160 nan 8.290 nan 0.000 0.574 144 L N 0.195 121.446 121.223 0.047 0.000 2.476 144 L HA 0.728 5.068 4.340 -0.000 0.000 0.255 144 L C 0.884 177.796 176.870 0.070 0.000 1.218 144 L CA -0.127 54.758 54.840 0.075 0.000 0.819 144 L CB 0.687 42.789 42.059 0.071 0.000 1.119 144 L HN 0.848 nan 8.230 nan 0.000 0.485 145 R N 1.124 121.681 120.500 0.095 0.000 2.736 145 R HA 0.138 4.478 4.340 -0.000 0.000 0.250 145 R C -1.613 174.704 176.300 0.028 0.000 1.098 145 R CA -0.686 55.444 56.100 0.049 0.000 0.978 145 R CB 1.571 31.879 30.300 0.014 0.000 1.263 145 R HN 0.569 nan 8.270 nan 0.000 0.460 146 E N 3.809 123.980 120.200 -0.048 0.000 2.044 146 E HA 0.164 4.514 4.350 -0.000 0.000 0.282 146 E C 0.525 177.004 176.600 -0.202 0.000 1.031 146 E CA -0.154 56.112 56.400 -0.223 0.000 0.824 146 E CB 0.764 30.330 29.700 -0.224 0.000 1.076 146 E HN 0.497 nan 8.360 nan 0.000 0.395 147 L N 3.020 124.101 121.223 -0.237 0.000 2.131 147 L HA 0.231 4.571 4.340 -0.000 0.000 0.206 147 L C 0.758 177.518 176.870 -0.184 0.000 1.087 147 L CA 0.494 55.236 54.840 -0.163 0.000 0.767 147 L CB -0.042 41.944 42.059 -0.122 0.000 0.917 147 L HN 0.494 nan 8.230 nan 0.000 0.441 148 A N -0.829 121.830 122.820 -0.269 0.000 2.594 148 A HA 0.687 5.007 4.320 -0.000 0.000 0.296 148 A C -0.521 176.855 177.584 -0.346 0.000 1.056 148 A CA -0.505 51.371 52.037 -0.268 0.000 0.693 148 A CB 0.735 19.587 19.000 -0.247 0.000 1.278 148 A HN 0.026 nan 8.150 nan 0.000 0.408 149 R N 0.876 121.192 120.500 -0.306 0.000 2.390 149 R HA 0.683 5.023 4.340 -0.000 0.000 0.291 149 R C -0.592 175.483 176.300 -0.374 0.000 1.070 149 R CA -0.209 55.698 56.100 -0.321 0.000 1.014 149 R CB 0.040 30.192 30.300 -0.247 0.000 1.007 149 R HN 0.733 nan 8.270 nan 0.000 0.466 150 L N 3.581 124.549 121.223 -0.424 0.000 2.360 150 L HA 0.566 4.906 4.340 -0.000 0.000 0.271 150 L C -1.267 175.251 176.870 -0.586 0.000 1.057 150 L CA -2.301 52.188 54.840 -0.585 0.000 0.803 150 L CB 1.983 43.711 42.059 -0.552 0.000 1.207 150 L HN 0.650 nan 8.230 nan 0.000 0.445 151 P HA 0.284 nan 4.420 nan 0.000 0.249 151 P C -0.034 177.025 177.300 -0.403 0.000 1.583 151 P CA 0.162 62.918 63.100 -0.574 0.000 0.988 151 P CB 0.481 31.843 31.700 -0.564 0.000 1.530 152 G N -0.401 108.194 108.800 -0.341 0.000 2.320 152 G HA2 0.236 4.195 3.960 -0.000 0.000 0.297 152 G HA3 0.236 4.195 3.960 -0.000 0.000 0.297 152 G C -1.505 173.452 174.900 0.096 0.000 1.344 152 G CA -0.973 44.144 45.100 0.028 0.000 0.851 152 G HN -0.117 nan 8.290 nan 0.000 0.567 153 F N 0.745 120.817 119.950 0.204 0.000 2.607 153 F HA 0.441 4.968 4.527 -0.000 0.000 0.374 153 F C 1.381 177.145 175.800 -0.060 0.000 1.104 153 F CA 1.894 59.924 58.000 0.051 0.000 1.296 153 F CB 1.081 40.200 39.000 0.199 0.000 1.085 153 F HN 0.696 nan 8.300 nan 0.000 0.584 154 G N 2.357 111.018 108.800 -0.233 0.000 2.690 154 G HA2 0.727 4.687 3.960 -0.000 0.000 0.291 154 G HA3 0.727 4.687 3.960 -0.000 0.000 0.291 154 G C -2.109 172.469 174.900 -0.537 0.000 1.403 154 G CA -0.760 44.205 45.100 -0.226 0.000 0.864 154 G HN 0.340 nan 8.290 nan 0.000 0.480 155 F N -0.398 119.725 119.950 0.289 0.000 2.581 155 F HA 0.488 5.015 4.527 -0.000 0.000 0.311 155 F C -0.048 175.865 175.800 0.188 0.000 1.113 155 F CA -0.960 57.161 58.000 0.201 0.000 0.935 155 F CB 2.485 41.535 39.000 0.084 0.000 1.232 155 F HN 0.300 nan 8.300 nan 0.000 0.445 156 V N 2.148 122.266 119.914 0.341 0.000 2.461 156 V HA 0.220 4.340 4.120 -0.000 0.000 0.275 156 V C 0.354 176.530 176.094 0.136 0.000 1.047 156 V CA 0.266 62.694 62.300 0.213 0.000 0.955 156 V CB 1.311 33.273 31.823 0.231 0.000 0.988 156 V HN 0.995 nan 8.190 nan 0.000 0.471 157 S N 2.412 118.122 115.700 0.017 0.000 2.468 157 S HA 0.137 4.606 4.470 -0.000 0.000 0.226 157 S C 0.229 174.863 174.600 0.058 0.000 1.051 157 S CA 0.367 58.579 58.200 0.020 0.000 0.943 157 S CB 0.152 63.303 63.200 -0.082 0.000 0.810 157 S HN 0.973 nan 8.310 nan 0.000 0.509 158 D N -1.165 119.263 120.400 0.047 0.000 2.728 158 D HA 0.389 5.029 4.640 -0.000 0.000 0.249 158 D C -1.853 174.510 176.300 0.105 0.000 1.225 158 D CA -0.441 53.620 54.000 0.101 0.000 0.748 158 D CB 0.816 41.653 40.800 0.062 0.000 1.326 158 D HN 0.018 nan 8.370 nan 0.000 0.426 159 I N 1.452 122.139 120.570 0.194 0.000 2.647 159 I HA 0.571 4.741 4.170 -0.000 0.000 0.295 159 I C -0.560 175.693 176.117 0.226 0.000 1.078 159 I CA -0.873 60.534 61.300 0.179 0.000 1.048 159 I CB 2.300 40.392 38.000 0.154 0.000 1.239 159 I HN 0.254 nan 8.210 nan 0.000 0.421 160 R N 3.981 124.557 120.500 0.127 0.000 2.512 160 R HA 0.551 4.891 4.340 -0.000 0.000 0.291 160 R C 0.207 176.547 176.300 0.067 0.000 1.097 160 R CA 0.330 56.490 56.100 0.100 0.000 0.940 160 R CB 1.591 31.897 30.300 0.010 0.000 1.198 160 R HN 0.926 nan 8.270 nan 0.000 0.429 161 G N 3.735 112.585 108.800 0.083 0.000 2.591 161 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.298 161 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.298 161 G C 0.197 175.127 174.900 0.049 0.000 1.195 161 G CA 0.627 45.758 45.100 0.052 0.000 0.989 161 G HN 0.660 nan 8.290 nan 0.000 0.551 162 D N 0.123 120.543 120.400 0.033 0.000 2.271 162 D HA 0.186 4.825 4.640 -0.000 0.000 0.206 162 D C 1.342 177.664 176.300 0.037 0.000 0.967 162 D CA 0.290 54.308 54.000 0.031 0.000 0.867 162 D CB -0.051 40.763 40.800 0.023 0.000 0.960 162 D HN 0.308 nan 8.370 nan 0.000 0.509 163 L N 1.475 122.717 121.223 0.033 0.000 2.410 163 L HA 0.212 4.552 4.340 -0.000 0.000 0.273 163 L C -0.363 176.533 176.870 0.044 0.000 1.152 163 L CA 0.197 55.056 54.840 0.033 0.000 0.855 163 L CB 0.272 42.338 42.059 0.012 0.000 1.129 163 L HN -0.124 nan 8.230 nan 0.000 0.463 164 I N 5.164 125.768 120.570 0.056 0.000 2.433 164 I HA 0.611 4.781 4.170 -0.000 0.000 0.292 164 I C -0.214 175.915 176.117 0.019 0.000 1.001 164 I CA -0.658 60.680 61.300 0.064 0.000 1.119 164 I CB 1.693 39.760 38.000 0.111 0.000 1.289 164 I HN 0.753 nan 8.210 nan 0.000 0.438 165 A N 4.335 127.120 122.820 -0.059 0.000 2.365 165 A HA 0.976 5.296 4.320 -0.000 0.000 0.318 165 A C -0.224 177.122 177.584 -0.398 0.000 1.091 165 A CA -0.423 51.488 52.037 -0.209 0.000 0.763 165 A CB 1.725 20.620 19.000 -0.175 0.000 1.248 165 A HN 0.877 nan 8.150 nan 0.000 0.442 166 G N -0.246 108.019 108.800 -0.891 0.000 2.682 166 G HA2 0.607 4.566 3.960 -0.000 0.000 0.303 166 G HA3 0.607 4.566 3.960 -0.000 0.000 0.303 166 G C -1.715 172.634 174.900 -0.918 0.000 1.341 166 G CA -0.655 43.823 45.100 -1.036 0.000 0.784 166 G HN 0.768 nan 8.290 nan 0.000 0.497 167 L N -0.323 120.675 121.223 -0.374 0.000 2.381 167 L HA 0.821 5.161 4.340 -0.000 0.000 0.268 167 L C 0.167 177.061 176.870 0.041 0.000 0.997 167 L CA -0.838 53.941 54.840 -0.102 0.000 0.818 167 L CB 2.585 44.623 42.059 -0.035 0.000 1.310 167 L HN 0.872 nan 8.230 nan 0.000 0.416 168 G N 0.915 109.538 108.800 -0.295 0.000 2.731 168 G HA2 0.563 4.522 3.960 -0.000 0.000 0.298 168 G HA3 0.563 4.522 3.960 -0.000 0.000 0.298 168 G C -1.226 173.304 174.900 -0.617 0.000 1.424 168 G CA -0.451 44.180 45.100 -0.782 0.000 1.029 168 G HN 0.389 nan 8.290 nan 0.000 0.518 169 F N 2.288 122.304 119.950 0.110 0.000 2.567 169 F HA 0.288 4.815 4.527 -0.000 0.000 0.352 169 F C 0.406 176.473 175.800 0.445 0.000 1.229 169 F CA -0.505 57.636 58.000 0.235 0.000 1.228 169 F CB 0.085 39.276 39.000 0.318 0.000 1.568 169 F HN 0.376 nan 8.300 nan 0.000 0.634 170 F N 1.655 121.781 119.950 0.294 0.000 2.819 170 F HA 0.402 4.929 4.527 -0.000 0.000 0.294 170 F C 1.230 177.123 175.800 0.154 0.000 1.166 170 F CA -0.445 57.663 58.000 0.180 0.000 1.374 170 F CB -0.012 39.059 39.000 0.119 0.000 0.956 170 F HN 0.624 nan 8.300 nan 0.000 0.509 171 G N 0.254 109.260 108.800 0.344 0.000 2.660 171 G HA2 0.099 4.059 3.960 -0.000 0.000 0.247 171 G HA3 0.099 4.059 3.960 -0.000 0.000 0.247 171 G C 0.636 175.642 174.900 0.177 0.000 1.328 171 G CA -0.477 44.755 45.100 0.220 0.000 0.884 171 G HN 0.907 nan 8.290 nan 0.000 0.531 172 G N -1.734 107.141 108.800 0.124 0.000 2.328 172 G HA2 0.349 4.309 3.960 -0.000 0.000 0.256 172 G HA3 0.349 4.309 3.960 -0.000 0.000 0.256 172 G C 1.829 176.772 174.900 0.071 0.000 1.014 172 G CA 1.353 46.509 45.100 0.093 0.000 0.620 172 G HN 3.190 nan 8.290 nan 0.000 0.530 173 G N -1.998 106.850 108.800 0.080 0.000 2.141 173 G HA2 0.376 4.336 3.960 -0.000 0.000 0.195 173 G HA3 0.376 4.336 3.960 -0.000 0.000 0.195 173 G C 0.096 175.020 174.900 0.040 0.000 1.012 173 G CA 1.315 46.440 45.100 0.041 0.000 0.696 173 G HN 2.654 nan 8.290 nan 0.000 0.508 174 R N -2.757 117.800 120.500 0.094 0.000 2.687 174 R HA 0.736 5.076 4.340 -0.000 0.000 0.265 174 R C -0.718 175.696 176.300 0.191 0.000 1.048 174 R CA -0.204 55.958 56.100 0.104 0.000 0.884 174 R CB 0.858 31.193 30.300 0.058 0.000 1.258 174 R HN 1.214 nan 8.270 nan 0.000 0.469 175 V N 2.265 122.308 119.914 0.216 0.000 2.432 175 V HA 0.489 4.608 4.120 -0.000 0.000 0.271 175 V C 0.377 176.610 176.094 0.231 0.000 1.046 175 V CA -0.187 62.272 62.300 0.265 0.000 0.945 175 V CB 1.496 33.497 31.823 0.296 0.000 0.992 175 V HN 0.957 nan 8.190 nan 0.000 0.471 176 S N 4.459 120.231 115.700 0.120 0.000 2.616 176 S HA 0.611 5.081 4.470 -0.000 0.000 0.277 176 S C -0.341 174.322 174.600 0.105 0.000 1.234 176 S CA -0.469 57.849 58.200 0.196 0.000 1.028 176 S CB 1.509 64.768 63.200 0.099 0.000 0.988 176 S HN 0.577 nan 8.310 nan 0.000 0.522 177 L N 3.719 125.004 121.223 0.103 0.000 2.350 177 L HA 0.634 4.974 4.340 -0.000 0.000 0.275 177 L C -0.765 176.220 176.870 0.193 0.000 1.099 177 L CA -0.024 54.727 54.840 -0.149 0.000 0.808 177 L CB 0.051 41.695 42.059 -0.691 0.000 1.149 177 L HN 0.613 nan 8.230 nan 0.000 0.442 178 F N 1.234 121.242 119.950 0.097 0.000 2.620 178 F HA 0.927 5.454 4.527 -0.000 0.000 0.320 178 F C -0.591 175.325 175.800 0.193 0.000 1.069 178 F CA -0.463 57.656 58.000 0.199 0.000 0.953 178 F CB 1.479 40.603 39.000 0.207 0.000 1.322 178 F HN 0.574 nan 8.300 nan 0.000 0.479 179 T N -0.982 113.869 114.554 0.495 0.000 2.909 179 T HA 0.721 5.071 4.350 -0.000 0.000 0.299 179 T C -0.996 173.903 174.700 0.331 0.000 1.073 179 T CA -0.608 61.687 62.100 0.324 0.000 0.999 179 T CB 1.525 70.547 68.868 0.256 0.000 1.098 179 T HN 0.945 nan 8.240 nan 0.000 0.477 180 S N 0.783 116.628 115.700 0.242 0.000 2.851 180 S HA 0.669 5.139 4.470 -0.000 0.000 0.317 180 S C -1.441 173.214 174.600 0.092 0.000 1.144 180 S CA -0.867 57.420 58.200 0.146 0.000 0.862 180 S CB 1.548 64.828 63.200 0.133 0.000 1.259 180 S HN 0.920 nan 8.310 nan 0.000 0.564 181 N N 0.909 119.642 118.700 0.054 0.000 2.225 181 N HA 0.322 5.062 4.740 -0.000 0.000 0.298 181 N C 0.129 175.655 175.510 0.026 0.000 1.076 181 N CA -0.371 52.702 53.050 0.038 0.000 0.792 181 N CB 1.798 40.300 38.487 0.026 0.000 1.498 181 N HN 0.487 nan 8.380 nan 0.000 0.474 182 L N 3.393 124.632 121.223 0.027 0.000 2.068 182 L HA -0.017 4.323 4.340 -0.000 0.000 0.204 182 L C 2.334 179.210 176.870 0.010 0.000 1.076 182 L CA 1.950 56.803 54.840 0.021 0.000 0.753 182 L CB -0.566 41.509 42.059 0.026 0.000 0.910 182 L HN 0.774 nan 8.230 nan 0.000 0.439 183 S N -2.026 113.681 115.700 0.010 0.000 2.395 183 S HA -0.083 4.387 4.470 -0.000 0.000 0.225 183 S C 1.785 176.384 174.600 -0.001 0.000 1.027 183 S CA 0.804 59.007 58.200 0.005 0.000 0.965 183 S CB -0.656 62.548 63.200 0.007 0.000 0.812 183 S HN 0.554 nan 8.310 nan 0.000 0.482 184 S N 0.396 116.095 115.700 -0.002 0.000 2.539 184 S HA 0.541 5.011 4.470 -0.000 0.000 0.221 184 S C 1.266 175.855 174.600 -0.017 0.000 0.987 184 S CA 0.253 58.448 58.200 -0.008 0.000 0.929 184 S CB -0.634 62.563 63.200 -0.004 0.000 0.832 184 S HN 1.265 nan 8.310 nan 0.000 0.492 185 G N 1.063 109.852 108.800 -0.019 0.000 2.591 185 G HA2 0.256 4.216 3.960 -0.000 0.000 0.278 185 G HA3 0.256 4.216 3.960 -0.000 0.000 0.278 185 G C 0.494 175.374 174.900 -0.033 0.000 1.293 185 G CA -0.195 44.883 45.100 -0.036 0.000 0.930 185 G HN 2.121 nan 8.290 nan 0.000 0.562 186 G N -3.000 105.765 108.800 -0.057 0.000 2.712 186 G HA2 0.461 4.421 3.960 -0.000 0.000 0.683 186 G HA3 0.461 4.421 3.960 -0.000 0.000 0.683 186 G C -0.868 174.004 174.900 -0.046 0.000 1.320 186 G CA 0.256 45.323 45.100 -0.055 0.000 0.847 186 G HN 2.316 nan 8.290 nan 0.000 0.553 187 L N -0.297 120.895 121.223 -0.051 0.000 2.505 187 L HA 0.974 5.314 4.340 -0.000 0.000 0.259 187 L C -0.405 176.440 176.870 -0.041 0.000 0.952 187 L CA -0.661 54.152 54.840 -0.045 0.000 0.840 187 L CB 2.279 44.258 42.059 -0.134 0.000 1.358 187 L HN 1.265 nan 8.230 nan 0.000 0.409 188 R N 3.356 123.854 120.500 -0.003 0.000 2.515 188 R HA 0.777 5.117 4.340 -0.000 0.000 0.278 188 R C -2.215 173.942 176.300 -0.239 0.000 1.107 188 R CA -0.534 55.477 56.100 -0.148 0.000 0.945 188 R CB 1.877 32.082 30.300 -0.157 0.000 1.219 188 R HN 0.463 nan 8.270 nan 0.000 0.434 189 V N 5.129 124.830 119.914 -0.354 0.000 2.513 189 V HA 0.626 4.746 4.120 -0.000 0.000 0.299 189 V C -0.937 174.877 176.094 -0.467 0.000 1.035 189 V CA -0.534 61.668 62.300 -0.163 0.000 0.889 189 V CB 1.481 33.379 31.823 0.125 0.000 0.988 189 V HN 0.562 nan 8.190 nan 0.000 0.440 190 F N 1.966 121.993 119.950 0.128 0.000 2.529 190 F HA 0.639 5.166 4.527 -0.000 0.000 0.320 190 F C -0.041 175.902 175.800 0.238 0.000 1.118 190 F CA -0.923 57.155 58.000 0.128 0.000 0.915 190 F CB 1.626 40.653 39.000 0.044 0.000 1.161 190 F HN 0.409 nan 8.300 nan 0.000 0.445 191 D N 0.240 120.884 120.400 0.406 0.000 2.326 191 D HA 0.423 5.063 4.640 -0.000 0.000 0.248 191 D C -0.853 175.638 176.300 0.318 0.000 1.001 191 D CA -0.754 53.455 54.000 0.347 0.000 0.961 191 D CB 1.984 42.905 40.800 0.202 0.000 1.183 191 D HN 0.324 nan 8.370 nan 0.000 0.502 192 S N -0.626 115.139 115.700 0.108 0.000 2.669 192 S HA 0.460 4.930 4.470 -0.000 0.000 0.315 192 S C 1.317 175.892 174.600 -0.042 0.000 1.106 192 S CA -0.448 57.728 58.200 -0.041 0.000 1.107 192 S CB 0.741 63.742 63.200 -0.333 0.000 0.990 192 S HN 0.495 nan 8.310 nan 0.000 0.471 193 G N 3.452 112.254 108.800 0.004 0.000 2.606 193 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.221 193 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.221 193 G C 1.090 175.975 174.900 -0.025 0.000 1.152 193 G CA 1.477 46.577 45.100 0.000 0.000 0.765 193 G HN 0.792 nan 8.290 nan 0.000 0.595 194 E N -0.123 120.050 120.200 -0.045 0.000 2.097 194 E HA 0.111 4.461 4.350 -0.000 0.000 0.196 194 E C 1.730 178.286 176.600 -0.073 0.000 1.000 194 E CA 0.899 57.266 56.400 -0.056 0.000 0.804 194 E CB -0.076 29.584 29.700 -0.067 0.000 0.740 194 E HN 0.508 nan 8.360 nan 0.000 0.454 195 G N -0.939 107.791 108.800 -0.116 0.000 2.649 195 G HA2 0.129 4.089 3.960 -0.000 0.000 0.078 195 G HA3 0.129 4.089 3.960 -0.000 0.000 0.078 195 G C -1.041 173.759 174.900 -0.166 0.000 1.110 195 G CA -0.326 44.707 45.100 -0.112 0.000 1.269 195 G HN 0.065 nan 8.290 nan 0.000 0.581 196 S N -0.153 115.443 115.700 -0.173 0.000 2.513 196 S HA 0.722 5.192 4.470 -0.000 0.000 0.299 196 S C -1.237 173.247 174.600 -0.195 0.000 1.087 196 S CA -0.396 57.727 58.200 -0.127 0.000 1.012 196 S CB 1.205 64.404 63.200 -0.002 0.000 1.044 196 S HN 0.347 nan 8.310 nan 0.000 0.485 197 F N 2.104 122.078 119.950 0.040 0.000 2.410 197 F HA 0.272 4.799 4.527 -0.000 0.000 0.348 197 F C 1.635 177.447 175.800 0.020 0.000 1.106 197 F CA -0.155 57.854 58.000 0.016 0.000 1.163 197 F CB 1.345 40.344 39.000 -0.002 0.000 1.129 197 F HN 0.708 nan 8.300 nan 0.000 0.516 198 S N 0.068 115.891 115.700 0.205 0.000 2.604 198 S HA 0.311 4.781 4.470 -0.000 0.000 0.235 198 S C -0.107 174.540 174.600 0.078 0.000 1.043 198 S CA 0.296 58.569 58.200 0.122 0.000 0.997 198 S CB 0.045 63.304 63.200 0.098 0.000 0.956 198 S HN 0.567 nan 8.310 nan 0.000 0.535 199 S N -0.104 115.627 115.700 0.052 0.000 2.578 199 S HA 0.833 5.303 4.470 -0.000 0.000 0.272 199 S C -1.109 173.432 174.600 -0.099 0.000 1.145 199 S CA -0.480 57.696 58.200 -0.040 0.000 0.835 199 S CB 1.077 64.231 63.200 -0.078 0.000 1.104 199 S HN 1.412 nan 8.310 nan 0.000 0.458 200 A N 0.399 123.119 122.820 -0.168 0.000 2.577 200 A HA 0.913 5.233 4.320 -0.000 0.000 0.297 200 A C -0.683 176.792 177.584 -0.181 0.000 1.060 200 A CA -0.298 51.629 52.037 -0.183 0.000 0.697 200 A CB 1.359 20.235 19.000 -0.206 0.000 1.281 200 A HN 1.658 nan 8.150 nan 0.000 0.402 201 S N 0.615 116.235 115.700 -0.134 0.000 2.579 201 S HA 0.770 5.240 4.470 -0.000 0.000 0.272 201 S C -1.430 173.198 174.600 0.046 0.000 1.141 201 S CA -0.528 57.649 58.200 -0.038 0.000 0.843 201 S CB 0.931 64.103 63.200 -0.047 0.000 1.122 201 S HN 0.751 nan 8.310 nan 0.000 0.468 202 I N 3.470 124.054 120.570 0.023 0.000 2.321 202 I HA 0.319 4.489 4.170 -0.000 0.000 0.291 202 I C 0.731 176.640 176.117 -0.347 0.000 0.998 202 I CA -0.543 60.697 61.300 -0.100 0.000 1.227 202 I CB 1.772 39.720 38.000 -0.087 0.000 1.368 202 I HN 0.728 nan 8.210 nan 0.000 0.466 203 S N 6.527 121.948 115.700 -0.465 0.000 2.576 203 S HA 0.180 4.650 4.470 -0.000 0.000 0.272 203 S C -1.771 172.524 174.600 -0.508 0.000 1.352 203 S CA -0.759 56.948 58.200 -0.822 0.000 1.021 203 S CB 0.775 63.705 63.200 -0.449 0.000 0.887 203 S HN 0.408 nan 8.310 nan 0.000 0.542 204 P HA 0.055 nan 4.420 nan 0.000 0.219 204 P C 1.276 178.470 177.300 -0.177 0.000 1.146 204 P CA 1.421 64.367 63.100 -0.257 0.000 0.808 204 P CB -0.357 31.219 31.700 -0.206 0.000 0.779 205 G N -1.736 106.956 108.800 -0.179 0.000 3.088 205 G HA2 0.020 3.980 3.960 -0.000 0.000 0.212 205 G HA3 0.020 3.980 3.960 -0.000 0.000 0.212 205 G C 0.579 175.414 174.900 -0.108 0.000 1.173 205 G CA -0.041 44.988 45.100 -0.117 0.000 0.779 205 G HN 0.012 nan 8.290 nan 0.000 0.540 206 M N -0.611 118.909 119.600 -0.134 0.000 2.879 206 M HA -0.116 4.364 4.480 -0.000 0.000 0.210 206 M C -0.367 175.875 176.300 -0.097 0.000 0.550 206 M CA 0.838 56.076 55.300 -0.104 0.000 0.732 206 M CB -2.066 30.494 32.600 -0.067 0.000 2.662 206 M HN 0.203 nan 8.290 nan 0.000 0.516 207 K N 0.354 120.683 120.400 -0.118 0.000 2.095 207 K HA 0.725 5.045 4.320 -0.000 0.000 0.252 207 K C 0.312 176.833 176.600 -0.131 0.000 0.977 207 K CA -0.629 55.589 56.287 -0.115 0.000 0.900 207 K CB 1.775 34.216 32.500 -0.097 0.000 1.060 207 K HN 0.036 nan 8.250 nan 0.000 0.449 208 V N 2.288 122.109 119.914 -0.156 0.000 2.333 208 V HA 0.115 4.235 4.120 -0.000 0.000 0.274 208 V C -0.076 175.933 176.094 -0.142 0.000 1.028 208 V CA -0.557 61.642 62.300 -0.168 0.000 0.851 208 V CB 1.020 32.686 31.823 -0.262 0.000 1.000 208 V HN 0.670 nan 8.190 nan 0.000 0.456 209 T N 5.261 119.781 114.554 -0.057 0.000 2.761 209 T HA 0.614 4.964 4.350 -0.000 0.000 0.296 209 T C 0.233 174.871 174.700 -0.104 0.000 0.934 209 T CA -0.047 62.025 62.100 -0.046 0.000 1.091 209 T CB 1.059 69.946 68.868 0.033 0.000 0.896 209 T HN 0.885 nan 8.240 nan 0.000 0.515 210 A N 2.610 125.378 122.820 -0.086 0.000 2.401 210 A HA 0.835 5.155 4.320 -0.000 0.000 0.310 210 A C 0.356 177.978 177.584 0.063 0.000 1.075 210 A CA -0.892 51.120 52.037 -0.041 0.000 0.746 210 A CB 1.378 20.320 19.000 -0.096 0.000 1.277 210 A HN 0.910 nan 8.150 nan 0.000 0.425 211 G N 0.256 109.102 108.800 0.076 0.000 2.333 211 G HA2 0.515 4.475 3.960 -0.000 0.000 0.290 211 G HA3 0.515 4.475 3.960 -0.000 0.000 0.290 211 G C -0.826 174.164 174.900 0.149 0.000 1.150 211 G CA -0.122 45.034 45.100 0.093 0.000 0.895 211 G HN 0.872 nan 8.290 nan 0.000 0.444 212 L N 2.107 123.375 121.223 0.074 0.000 2.305 212 L HA 0.515 4.855 4.340 -0.000 0.000 0.284 212 L C 0.044 176.886 176.870 -0.046 0.000 1.013 212 L CA -0.528 54.270 54.840 -0.070 0.000 0.819 212 L CB 1.361 43.322 42.059 -0.162 0.000 1.227 212 L HN 0.553 nan 8.230 nan 0.000 0.417 213 E N 2.771 122.936 120.200 -0.057 0.000 2.277 213 E HA 0.574 4.924 4.350 -0.000 0.000 0.274 213 E C -0.403 176.161 176.600 -0.060 0.000 1.022 213 E CA -0.357 56.025 56.400 -0.031 0.000 0.853 213 E CB 1.453 31.150 29.700 -0.006 0.000 1.086 213 E HN 0.756 nan 8.360 nan 0.000 0.397 214 T N -2.281 112.250 114.554 -0.040 0.000 2.645 214 T HA 0.530 4.880 4.350 -0.000 0.000 0.273 214 T C 0.653 175.340 174.700 -0.023 0.000 0.960 214 T CA -0.277 61.798 62.100 -0.042 0.000 1.051 214 T CB 0.982 69.827 68.868 -0.039 0.000 1.366 214 T HN 0.322 nan 8.240 nan 0.000 0.536 215 A N -0.479 122.332 122.820 -0.016 0.000 2.206 215 A HA 0.267 4.587 4.320 -0.000 0.000 0.211 215 A C 2.132 179.725 177.584 0.014 0.000 1.158 215 A CA 0.394 52.432 52.037 0.001 0.000 0.761 215 A CB -0.534 18.467 19.000 0.002 0.000 0.801 215 A HN 0.713 nan 8.150 nan 0.000 0.473 216 R N -1.312 119.188 120.500 0.000 0.000 3.901 216 R HA 0.291 4.631 4.340 -0.000 0.000 0.145 216 R C -0.362 175.928 176.300 -0.017 0.000 1.166 216 R CA 0.154 56.254 56.100 -0.001 0.000 1.031 216 R CB 0.486 30.781 30.300 -0.008 0.000 1.380 216 R HN 0.403 nan 8.270 nan 0.000 0.464 217 E N -0.143 120.041 120.200 -0.027 0.000 2.393 217 E HA 0.579 4.929 4.350 -0.000 0.000 0.273 217 E C -1.581 175.002 176.600 -0.028 0.000 0.918 217 E CA -0.700 55.675 56.400 -0.041 0.000 0.773 217 E CB 2.509 32.172 29.700 -0.061 0.000 1.275 217 E HN 0.274 nan 8.360 nan 0.000 0.451 218 A N 1.772 124.580 122.820 -0.019 0.000 2.295 218 A HA 0.771 5.091 4.320 -0.000 0.000 0.318 218 A C -0.254 177.360 177.584 0.049 0.000 1.134 218 A CA -0.399 51.652 52.037 0.022 0.000 0.827 218 A CB 0.567 19.605 19.000 0.062 0.000 1.136 218 A HN 0.720 nan 8.150 nan 0.000 0.493 219 R N 0.363 120.915 120.500 0.087 0.000 2.766 219 R HA 0.704 5.044 4.340 -0.000 0.000 0.270 219 R C -1.939 174.437 176.300 0.127 0.000 1.035 219 R CA -0.938 55.247 56.100 0.142 0.000 0.911 219 R CB 0.926 31.273 30.300 0.078 0.000 1.243 219 R HN 0.454 nan 8.270 nan 0.000 0.460 220 L N 2.317 123.606 121.223 0.110 0.000 2.282 220 L HA 0.546 4.886 4.340 -0.000 0.000 0.288 220 L C -0.066 176.819 176.870 0.026 0.000 1.033 220 L CA -1.111 53.738 54.840 0.015 0.000 0.807 220 L CB 1.728 43.722 42.059 -0.108 0.000 1.209 220 L HN 0.555 nan 8.230 nan 0.000 0.423 221 V N -0.063 119.876 119.914 0.042 0.000 2.881 221 V HA 0.679 4.799 4.120 -0.000 0.000 0.316 221 V C -0.057 176.037 176.094 0.000 0.000 1.070 221 V CA -0.457 61.870 62.300 0.045 0.000 0.976 221 V CB 1.873 33.764 31.823 0.114 0.000 1.038 221 V HN 0.661 nan 8.190 nan 0.000 0.446 222 T N 2.309 116.853 114.554 -0.017 0.000 2.807 222 T HA 0.673 5.023 4.350 -0.000 0.000 0.279 222 T C -0.634 174.015 174.700 -0.086 0.000 0.993 222 T CA -0.299 61.770 62.100 -0.052 0.000 0.970 222 T CB 1.435 70.282 68.868 -0.035 0.000 0.950 222 T HN 0.716 nan 8.240 nan 0.000 0.441 223 V N 3.486 123.303 119.914 -0.162 0.000 2.444 223 V HA 0.353 4.473 4.120 -0.000 0.000 0.294 223 V C -0.341 175.617 176.094 -0.227 0.000 1.022 223 V CA -0.946 61.201 62.300 -0.254 0.000 0.850 223 V CB 1.854 33.374 31.823 -0.506 0.000 0.992 223 V HN 0.804 nan 8.190 nan 0.000 0.426 224 D N 7.573 127.884 120.400 -0.150 0.000 2.347 224 D HA 0.276 4.916 4.640 -0.000 0.000 0.235 224 D C -1.329 174.931 176.300 -0.066 0.000 1.149 224 D CA -1.962 51.985 54.000 -0.087 0.000 0.850 224 D CB 2.258 43.038 40.800 -0.033 0.000 1.061 224 D HN 0.246 nan 8.370 nan 0.000 0.487 225 P HA -0.125 nan 4.420 nan 0.000 0.223 225 P C 0.890 178.290 177.300 0.165 0.000 1.151 225 P CA 0.798 63.946 63.100 0.079 0.000 0.787 225 P CB 0.373 32.103 31.700 0.051 0.000 0.788 226 R N 0.895 121.446 120.500 0.085 0.000 2.100 226 R HA 0.004 4.344 4.340 -0.000 0.000 0.220 226 R C 1.291 177.640 176.300 0.082 0.000 1.091 226 R CA 1.473 57.618 56.100 0.075 0.000 0.986 226 R CB -1.010 29.314 30.300 0.039 0.000 0.888 226 R HN 0.204 nan 8.270 nan 0.000 0.444 227 D N -0.659 119.788 120.400 0.079 0.000 2.440 227 D HA 0.154 4.794 4.640 -0.000 0.000 0.216 227 D C 1.060 177.427 176.300 0.112 0.000 1.150 227 D CA 0.208 54.254 54.000 0.076 0.000 0.832 227 D CB 0.577 41.405 40.800 0.047 0.000 0.992 227 D HN 0.354 nan 8.370 nan 0.000 0.502 228 G N 0.871 109.785 108.800 0.189 0.000 2.196 228 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.268 228 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.268 228 G C 0.464 175.460 174.900 0.160 0.000 0.975 228 G CA 0.741 46.013 45.100 0.286 0.000 0.648 228 G HN 0.820 nan 8.290 nan 0.000 0.538 229 S N -0.506 115.239 115.700 0.076 0.000 2.565 229 S HA 0.660 5.130 4.470 -0.000 0.000 0.276 229 S C 0.286 174.892 174.600 0.010 0.000 1.326 229 S CA -0.028 58.199 58.200 0.045 0.000 1.045 229 S CB 2.247 65.464 63.200 0.029 0.000 0.918 229 S HN 1.838 nan 8.310 nan 0.000 0.505 230 V N 0.075 120.004 119.914 0.025 0.000 2.864 230 V HA 0.962 5.082 4.120 -0.000 0.000 0.314 230 V C -0.743 175.362 176.094 0.019 0.000 1.073 230 V CA -0.883 61.426 62.300 0.014 0.000 0.956 230 V CB 1.293 33.149 31.823 0.056 0.000 1.023 230 V HN 1.195 nan 8.190 nan 0.000 0.435 231 E N 0.909 121.116 120.200 0.012 0.000 2.423 231 E HA 0.476 4.826 4.350 -0.000 0.000 0.280 231 E C -1.904 174.704 176.600 0.014 0.000 1.030 231 E CA -1.003 55.405 56.400 0.013 0.000 0.812 231 E CB 1.583 31.287 29.700 0.007 0.000 1.313 231 E HN 0.564 nan 8.360 nan 0.000 0.456 232 D N 0.733 121.142 120.400 0.015 0.000 2.341 232 D HA 0.264 4.904 4.640 -0.000 0.000 0.245 232 D C -0.753 175.553 176.300 0.009 0.000 1.106 232 D CA -0.350 53.661 54.000 0.018 0.000 0.905 232 D CB 1.049 41.862 40.800 0.022 0.000 1.202 232 D HN 0.270 nan 8.370 nan 0.000 0.426 233 L N 2.535 123.761 121.223 0.004 0.000 2.257 233 L HA 0.225 4.565 4.340 -0.000 0.000 0.290 233 L C -0.371 176.497 176.870 -0.003 0.000 1.044 233 L CA -0.320 54.515 54.840 -0.009 0.000 0.810 233 L CB 0.679 42.718 42.059 -0.034 0.000 1.193 233 L HN 0.102 nan 8.230 nan 0.000 0.425 234 E N 5.184 125.386 120.200 0.002 0.000 2.249 234 E HA 0.454 4.804 4.350 -0.000 0.000 0.280 234 E C -0.817 175.783 176.600 0.000 0.000 1.016 234 E CA -0.208 56.199 56.400 0.011 0.000 0.830 234 E CB 1.552 31.260 29.700 0.013 0.000 1.081 234 E HN 0.553 nan 8.360 nan 0.000 0.395 235 L N 4.280 125.505 121.223 0.004 0.000 2.334 235 L HA 0.336 4.676 4.340 -0.000 0.000 0.272 235 L C -1.343 175.536 176.870 0.014 0.000 1.020 235 L CA -2.032 52.804 54.840 -0.007 0.000 0.812 235 L CB 1.405 43.445 42.059 -0.031 0.000 1.264 235 L HN 0.304 nan 8.230 nan 0.000 0.439 236 P HA -0.112 nan 4.420 nan 0.000 0.215 236 P C 0.394 177.713 177.300 0.032 0.000 1.153 236 P CA 0.845 63.957 63.100 0.020 0.000 0.853 236 P CB 0.226 31.936 31.700 0.018 0.000 0.788 237 S N -0.510 115.217 115.700 0.044 0.000 2.578 237 S HA 0.251 4.721 4.470 -0.000 0.000 0.283 237 S C 0.713 175.361 174.600 0.080 0.000 1.195 237 S CA -0.627 57.611 58.200 0.064 0.000 1.050 237 S CB 0.299 63.549 63.200 0.082 0.000 1.012 237 S HN -0.163 nan 8.310 nan 0.000 0.511 238 K N 2.737 123.184 120.400 0.080 0.000 2.440 238 K HA 0.168 4.488 4.320 -0.000 0.000 0.206 238 K C 0.172 176.827 176.600 0.091 0.000 1.025 238 K CA -0.091 56.242 56.287 0.077 0.000 1.135 238 K CB 0.028 32.558 32.500 0.049 0.000 0.856 238 K HN 0.575 nan 8.250 nan 0.000 0.502 239 D N 0.685 121.176 120.400 0.152 0.000 2.149 239 D HA -0.172 4.468 4.640 -0.000 0.000 0.198 239 D C 1.507 177.899 176.300 0.153 0.000 0.990 239 D CA 0.860 54.998 54.000 0.230 0.000 0.839 239 D CB -0.109 40.906 40.800 0.358 0.000 0.948 239 D HN 0.185 nan 8.370 nan 0.000 0.460 240 F N 2.156 121.965 119.950 -0.235 0.000 2.051 240 F HA -0.242 4.285 4.527 -0.000 0.000 0.296 240 F C 2.563 178.160 175.800 -0.337 0.000 1.122 240 F CA 2.167 59.678 58.000 -0.814 0.000 1.201 240 F CB -0.561 37.947 39.000 -0.820 0.000 0.978 240 F HN -0.021 nan 8.300 nan 0.000 0.472 241 S N -0.783 114.768 115.700 -0.248 0.000 2.400 241 S HA -0.197 4.273 4.470 -0.000 0.000 0.232 241 S C 2.036 176.508 174.600 -0.212 0.000 1.025 241 S CA 1.530 59.568 58.200 -0.269 0.000 0.993 241 S CB -1.078 62.094 63.200 -0.046 0.000 0.808 241 S HN 0.385 nan 8.310 nan 0.000 0.478 242 S N 0.283 115.922 115.700 -0.102 0.000 2.481 242 S HA 0.082 4.551 4.470 -0.000 0.000 0.231 242 S C 1.231 175.831 174.600 -0.000 0.000 0.996 242 S CA 0.543 58.723 58.200 -0.033 0.000 0.942 242 S CB -0.491 62.725 63.200 0.026 0.000 0.768 242 S HN 0.734 nan 8.310 nan 0.000 0.520 243 Y N 2.243 122.435 120.300 -0.180 0.000 2.457 243 Y HA 0.122 4.672 4.550 -0.000 0.000 0.292 243 Y C 0.622 176.441 175.900 -0.134 0.000 1.125 243 Y CA 0.602 58.649 58.100 -0.088 0.000 1.254 243 Y CB -0.078 38.385 38.460 0.004 0.000 1.012 243 Y HN 0.006 nan 8.280 nan 0.000 0.555 244 R N 0.262 120.617 120.500 -0.241 0.000 3.152 244 R HA -0.143 4.197 4.340 -0.000 0.000 0.252 244 R C -2.764 173.358 176.300 -0.296 0.000 0.930 244 R CA 0.323 56.266 56.100 -0.263 0.000 0.642 244 R CB -1.832 28.344 30.300 -0.206 0.000 1.205 244 R HN 0.310 nan 8.270 nan 0.000 0.452 245 P HA 0.060 nan 4.420 nan 0.000 0.277 245 P C 0.641 177.895 177.300 -0.077 0.000 1.240 245 P CA -0.028 63.008 63.100 -0.106 0.000 0.798 245 P CB 1.011 32.763 31.700 0.086 0.000 0.979 246 T N -2.269 112.255 114.554 -0.050 0.000 3.054 246 T HA 0.542 4.891 4.350 -0.000 0.000 0.255 246 T C 0.517 175.215 174.700 -0.004 0.000 1.035 246 T CA -0.143 61.930 62.100 -0.044 0.000 0.941 246 T CB 0.066 68.879 68.868 -0.091 0.000 1.026 246 T HN 0.617 nan 8.240 nan 0.000 0.533 247 A N 0.850 123.698 122.820 0.047 0.000 2.574 247 A HA 0.747 5.067 4.320 -0.000 0.000 0.297 247 A C -1.494 176.172 177.584 0.137 0.000 1.062 247 A CA -0.927 51.154 52.037 0.073 0.000 0.686 247 A CB 1.146 20.179 19.000 0.056 0.000 1.285 247 A HN 0.385 nan 8.150 nan 0.000 0.403 248 I N 2.441 123.091 120.570 0.133 0.000 2.437 248 I HA 0.201 4.371 4.170 -0.000 0.000 0.279 248 I C 0.974 177.184 176.117 0.154 0.000 1.028 248 I CA -0.385 61.014 61.300 0.166 0.000 1.142 248 I CB 1.782 39.866 38.000 0.140 0.000 1.266 248 I HN 0.791 nan 8.210 nan 0.000 0.461 249 T N 4.091 118.765 114.554 0.200 0.000 2.746 249 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 249 T C -0.191 174.683 174.700 0.290 0.000 1.039 249 T CA 1.581 63.811 62.100 0.216 0.000 1.142 249 T CB 0.033 69.045 68.868 0.240 0.000 0.866 249 T HN 0.634 nan 8.240 nan 0.000 0.444 250 W N 0.749 122.087 121.300 0.065 0.000 3.645 250 W HA 0.457 5.117 4.660 0.000 0.000 0.285 250 W C -2.516 174.017 176.519 0.024 0.000 1.266 250 W CA -1.467 55.904 57.345 0.044 0.000 1.212 250 W CB 0.798 30.288 29.460 0.050 0.000 1.306 250 W HN 0.095 nan 8.180 nan 0.000 0.552 251 L N 3.154 123.713 121.223 -1.107 0.000 2.479 251 L HA 1.142 5.482 4.340 -0.000 0.000 0.255 251 L C -0.510 175.307 176.870 -1.755 0.000 1.026 251 L CA -0.713 53.395 54.840 -1.219 0.000 0.842 251 L CB 1.768 43.484 42.059 -0.572 0.000 1.444 251 L HN 0.882 nan 8.230 nan 0.000 0.409 252 G N -0.492 107.587 108.800 -1.202 0.000 2.596 252 G HA2 0.469 4.429 3.960 -0.000 0.000 0.296 252 G HA3 0.469 4.429 3.960 -0.000 0.000 0.296 252 G C -2.273 172.450 174.900 -0.295 0.000 1.513 252 G CA -0.635 44.094 45.100 -0.619 0.000 0.851 252 G HN 0.586 nan 8.290 nan 0.000 0.548 253 Y N 0.605 120.844 120.300 -0.101 0.000 2.304 253 Y HA 0.571 5.121 4.550 -0.000 0.000 0.328 253 Y C 1.128 177.006 175.900 -0.037 0.000 1.123 253 Y CA -0.353 57.705 58.100 -0.070 0.000 1.218 253 Y CB 1.301 39.705 38.460 -0.094 0.000 1.207 253 Y HN 0.335 nan 8.280 nan 0.000 0.495 254 L N 5.099 126.366 121.223 0.073 0.000 2.416 254 L HA 0.317 4.657 4.340 -0.000 0.000 0.262 254 L C -1.377 175.389 176.870 -0.174 0.000 1.093 254 L CA -1.983 52.823 54.840 -0.057 0.000 0.801 254 L CB 0.739 42.797 42.059 -0.002 0.000 1.191 254 L HN 0.446 nan 8.230 nan 0.000 0.459 255 P HA -0.187 nan 4.420 nan 0.000 0.218 255 P C 0.563 177.776 177.300 -0.144 0.000 1.146 255 P CA 1.180 64.094 63.100 -0.309 0.000 0.813 255 P CB -0.085 31.380 31.700 -0.393 0.000 0.778 256 D N -2.313 118.027 120.400 -0.098 0.000 2.363 256 D HA 0.082 4.722 4.640 -0.000 0.000 0.226 256 D C 1.490 177.777 176.300 -0.021 0.000 1.020 256 D CA 0.902 54.873 54.000 -0.047 0.000 0.892 256 D CB -0.749 40.035 40.800 -0.028 0.000 0.900 256 D HN 0.253 nan 8.370 nan 0.000 0.531 257 G N -0.288 108.510 108.800 -0.002 0.000 2.232 257 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.226 257 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.226 257 G C 0.358 175.334 174.900 0.127 0.000 0.996 257 G CA -0.210 44.918 45.100 0.047 0.000 0.626 257 G HN 0.418 nan 8.290 nan 0.000 0.509 258 R N -0.076 120.465 120.500 0.068 0.000 2.594 258 R HA 0.531 4.871 4.340 -0.000 0.000 0.272 258 R C -0.158 176.125 176.300 -0.029 0.000 1.074 258 R CA -0.543 55.580 56.100 0.038 0.000 1.105 258 R CB 0.971 31.278 30.300 0.012 0.000 1.008 258 R HN 0.219 nan 8.270 nan 0.000 0.472 259 L N 2.167 123.290 121.223 -0.167 0.000 2.265 259 L HA 0.371 4.711 4.340 -0.000 0.000 0.288 259 L C -0.626 176.097 176.870 -0.245 0.000 1.058 259 L CA 0.056 54.619 54.840 -0.462 0.000 0.809 259 L CB 1.071 42.772 42.059 -0.596 0.000 1.179 259 L HN 0.731 nan 8.230 nan 0.000 0.429 260 A N 5.284 127.993 122.820 -0.185 0.000 2.305 260 A HA 0.777 5.097 4.320 -0.000 0.000 0.322 260 A C -1.035 176.521 177.584 -0.047 0.000 1.187 260 A CA -0.495 51.545 52.037 0.004 0.000 0.825 260 A CB 1.030 20.157 19.000 0.212 0.000 1.164 260 A HN 0.547 nan 8.150 nan 0.000 0.498 261 V N 2.791 122.735 119.914 0.050 0.000 2.638 261 V HA 0.434 4.554 4.120 -0.000 0.000 0.306 261 V C -0.644 175.612 176.094 0.270 0.000 1.052 261 V CA -0.547 61.780 62.300 0.046 0.000 0.885 261 V CB 1.911 33.640 31.823 -0.158 0.000 0.999 261 V HN 0.649 nan 8.190 nan 0.000 0.424 262 V N 3.898 124.011 119.914 0.331 0.000 2.357 262 V HA 0.849 4.969 4.120 -0.000 0.000 0.284 262 V C 0.336 176.637 176.094 0.346 0.000 1.018 262 V CA -0.222 62.282 62.300 0.340 0.000 0.841 262 V CB 1.387 33.416 31.823 0.344 0.000 0.991 262 V HN 1.043 nan 8.190 nan 0.000 0.437 263 A N 6.214 129.282 122.820 0.412 0.000 2.350 263 A HA 0.971 5.291 4.320 -0.000 0.000 0.318 263 A C -0.342 177.508 177.584 0.443 0.000 1.132 263 A CA -0.868 51.427 52.037 0.429 0.000 0.811 263 A CB 1.645 20.975 19.000 0.550 0.000 1.313 263 A HN 0.753 nan 8.150 nan 0.000 0.454 264 R N -0.060 120.678 120.500 0.396 0.000 2.854 264 R HA 0.778 5.117 4.340 -0.000 0.000 0.271 264 R C -0.902 175.534 176.300 0.226 0.000 0.994 264 R CA -0.845 55.455 56.100 0.334 0.000 0.945 264 R CB 2.536 32.939 30.300 0.172 0.000 1.194 264 R HN 0.765 nan 8.270 nan 0.000 0.476 265 R N 1.071 121.650 120.500 0.132 0.000 2.563 265 R HA 0.062 4.402 4.340 -0.000 0.000 0.262 265 R C -1.029 175.275 176.300 0.007 0.000 1.128 265 R CA -0.247 55.812 56.100 -0.069 0.000 0.969 265 R CB 1.279 31.367 30.300 -0.353 0.000 1.251 265 R HN 0.880 nan 8.270 nan 0.000 0.442 266 E N 1.756 121.921 120.200 -0.058 0.000 2.586 266 E HA -0.272 4.078 4.350 -0.000 0.000 0.259 266 E C 0.454 177.203 176.600 0.248 0.000 1.107 266 E CA 0.860 57.340 56.400 0.133 0.000 0.754 266 E CB -1.176 28.696 29.700 0.288 0.000 1.335 266 E HN 1.136 nan 8.360 nan 0.000 0.411 267 G N -0.305 108.576 108.800 0.135 0.000 2.175 267 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.244 267 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.244 267 G C 0.203 175.166 174.900 0.106 0.000 0.982 267 G CA 0.468 45.670 45.100 0.170 0.000 0.641 267 G HN 0.302 nan 8.290 nan 0.000 0.527 268 R N -0.509 120.091 120.500 0.166 0.000 2.799 268 R HA 0.749 5.088 4.340 -0.000 0.000 0.270 268 R C -0.156 176.296 176.300 0.254 0.000 1.010 268 R CA -0.073 56.135 56.100 0.179 0.000 0.916 268 R CB 1.871 32.312 30.300 0.235 0.000 1.228 268 R HN 0.515 nan 8.270 nan 0.000 0.469 269 S N -0.177 115.692 115.700 0.281 0.000 2.671 269 S HA 0.930 5.400 4.470 -0.000 0.000 0.299 269 S C -1.176 173.629 174.600 0.342 0.000 1.116 269 S CA -0.805 57.613 58.200 0.363 0.000 0.912 269 S CB 2.350 65.750 63.200 0.333 0.000 1.130 269 S HN 0.721 nan 8.310 nan 0.000 0.501 270 A N 0.455 123.355 122.820 0.134 0.000 2.549 270 A HA 0.746 5.066 4.320 -0.000 0.000 0.297 270 A C -1.304 176.072 177.584 -0.347 0.000 1.061 270 A CA -0.748 51.129 52.037 -0.268 0.000 0.690 270 A CB 1.584 20.156 19.000 -0.714 0.000 1.287 270 A HN 0.995 nan 8.150 nan 0.000 0.402 271 V N 1.730 121.289 119.914 -0.591 0.000 2.398 271 V HA 0.596 4.716 4.120 -0.000 0.000 0.286 271 V C -1.070 174.634 176.094 -0.650 0.000 1.026 271 V CA -0.098 61.959 62.300 -0.405 0.000 0.868 271 V CB 0.734 32.362 31.823 -0.325 0.000 0.982 271 V HN 0.664 nan 8.190 nan 0.000 0.443 272 F N 4.740 124.669 119.950 -0.036 0.000 2.532 272 F HA 0.661 5.188 4.527 -0.000 0.000 0.321 272 F C -0.105 175.669 175.800 -0.044 0.000 1.089 272 F CA -0.898 57.084 58.000 -0.029 0.000 0.926 272 F CB 1.800 40.811 39.000 0.018 0.000 1.168 272 F HN 0.150 nan 8.300 nan 0.000 0.459 273 I N 2.366 123.004 120.570 0.114 0.000 2.418 273 I HA 0.205 4.375 4.170 -0.000 0.000 0.287 273 I C -0.424 175.719 176.117 0.043 0.000 1.008 273 I CA -0.770 60.559 61.300 0.048 0.000 1.104 273 I CB 1.317 39.331 38.000 0.023 0.000 1.264 273 I HN 0.597 nan 8.210 nan 0.000 0.438 274 D N 5.550 125.945 120.400 -0.009 0.000 2.706 274 D HA -0.206 4.433 4.640 -0.000 0.000 0.230 274 D C 1.400 177.711 176.300 0.018 0.000 1.184 274 D CA 1.650 55.638 54.000 -0.020 0.000 0.628 274 D CB -0.706 40.093 40.800 -0.002 0.000 1.019 274 D HN 1.142 nan 8.370 nan 0.000 0.415 275 G N -0.072 108.752 108.800 0.041 0.000 2.234 275 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.260 275 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.260 275 G C 0.209 175.287 174.900 0.296 0.000 0.987 275 G CA 0.562 45.737 45.100 0.124 0.000 0.625 275 G HN 0.613 nan 8.290 nan 0.000 0.532 276 E N 0.639 120.974 120.200 0.225 0.000 2.259 276 E HA 0.521 4.871 4.350 -0.000 0.000 0.281 276 E C 0.788 177.491 176.600 0.172 0.000 1.037 276 E CA -0.839 55.679 56.400 0.197 0.000 0.854 276 E CB 0.384 30.137 29.700 0.089 0.000 1.051 276 E HN 0.365 nan 8.360 nan 0.000 0.409 277 R N 2.692 123.259 120.500 0.112 0.000 2.590 277 R HA 0.181 4.520 4.340 -0.000 0.000 0.274 277 R C -1.331 174.849 176.300 -0.200 0.000 1.061 277 R CA 0.001 55.953 56.100 -0.248 0.000 1.081 277 R CB 0.703 30.902 30.300 -0.168 0.000 0.984 277 R HN 0.322 nan 8.270 nan 0.000 0.448 278 V N 3.931 123.662 119.914 -0.304 0.000 2.531 278 V HA 0.213 4.333 4.120 -0.000 0.000 0.301 278 V C -0.474 175.486 176.094 -0.224 0.000 1.034 278 V CA -0.920 61.262 62.300 -0.197 0.000 0.865 278 V CB 1.656 33.380 31.823 -0.166 0.000 0.995 278 V HN 0.836 nan 8.190 nan 0.000 0.424 279 E N 2.821 122.930 120.200 -0.152 0.000 2.452 279 E HA 0.473 4.823 4.350 -0.000 0.000 0.261 279 E C -0.098 176.403 176.600 -0.165 0.000 0.987 279 E CA 0.533 56.851 56.400 -0.137 0.000 0.926 279 E CB 0.856 30.507 29.700 -0.083 0.000 0.934 279 E HN 0.955 nan 8.360 nan 0.000 0.452 280 A N 4.758 127.473 122.820 -0.176 0.000 2.572 280 A HA 0.614 4.934 4.320 -0.000 0.000 0.295 280 A C -2.628 174.905 177.584 -0.086 0.000 1.072 280 A CA -1.616 50.298 52.037 -0.204 0.000 0.691 280 A CB 1.119 19.820 19.000 -0.498 0.000 1.291 280 A HN 0.556 nan 8.150 nan 0.000 0.404 281 P HA 0.188 nan 4.420 nan 0.000 0.269 281 P C -0.434 176.884 177.300 0.030 0.000 1.209 281 P CA -0.086 62.905 63.100 -0.182 0.000 0.776 281 P CB 0.416 31.729 31.700 -0.645 0.000 0.876 282 Q N 1.104 120.966 119.800 0.104 0.000 2.337 282 Q HA 0.402 4.742 4.340 -0.000 0.000 0.270 282 Q C 0.546 176.724 176.000 0.296 0.000 1.002 282 Q CA 0.884 56.808 55.803 0.201 0.000 0.888 282 Q CB -0.022 28.813 28.738 0.162 0.000 1.222 282 Q HN 0.754 nan 8.270 nan 0.000 0.400 283 G N 3.000 111.917 108.800 0.194 0.000 2.295 283 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.155 283 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.155 283 G C -1.426 173.384 174.900 -0.150 0.000 1.307 283 G CA -0.716 44.406 45.100 0.036 0.000 1.140 283 G HN 0.632 nan 8.290 nan 0.000 0.470 284 N N 0.234 118.717 118.700 -0.361 0.000 2.229 284 N HA 0.653 5.393 4.740 -0.000 0.000 0.298 284 N C -1.512 173.650 175.510 -0.581 0.000 1.114 284 N CA -0.378 52.449 53.050 -0.371 0.000 0.776 284 N CB 1.855 40.248 38.487 -0.155 0.000 1.501 284 N HN 0.594 nan 8.380 nan 0.000 0.474 285 H N -1.009 118.105 119.070 0.074 0.000 2.731 285 H HA 0.597 5.153 4.556 -0.000 0.000 0.368 285 H C 0.657 175.995 175.328 0.017 0.000 1.168 285 H CA -0.737 55.342 56.048 0.051 0.000 1.181 285 H CB 1.713 31.505 29.762 0.051 0.000 1.743 285 H HN 0.607 nan 8.280 nan 0.000 0.547 286 G N -0.012 108.829 108.800 0.069 0.000 2.945 286 G HA2 0.245 4.205 3.960 -0.000 0.000 0.156 286 G HA3 0.245 4.205 3.960 -0.000 0.000 0.156 286 G C -0.366 174.404 174.900 -0.216 0.000 1.375 286 G CA -1.024 44.044 45.100 -0.053 0.000 1.039 286 G HN 0.724 nan 8.290 nan 0.000 0.586 287 R N -1.299 118.871 120.500 -0.550 0.000 2.774 287 R HA 0.444 4.784 4.340 -0.000 0.000 0.269 287 R C -1.126 174.742 176.300 -0.720 0.000 1.068 287 R CA -0.357 54.995 56.100 -1.247 0.000 1.180 287 R CB 0.623 29.850 30.300 -1.788 0.000 1.077 287 R HN 0.141 nan 8.270 nan 0.000 0.513 288 V N 1.933 121.384 119.914 -0.771 0.000 2.495 288 V HA 0.427 4.547 4.120 -0.000 0.000 0.298 288 V C 0.030 176.088 176.094 -0.060 0.000 1.031 288 V CA -0.732 61.439 62.300 -0.215 0.000 0.871 288 V CB 1.441 33.284 31.823 0.033 0.000 0.988 288 V HN 0.728 nan 8.190 nan 0.000 0.432 289 V N 2.987 122.916 119.914 0.025 0.000 3.001 289 V HA 0.774 4.894 4.120 -0.000 0.000 0.314 289 V C -0.960 175.288 176.094 0.257 0.000 1.099 289 V CA -1.126 61.286 62.300 0.186 0.000 0.989 289 V CB 2.059 33.909 31.823 0.045 0.000 1.040 289 V HN 0.675 nan 8.190 nan 0.000 0.434 290 L N 3.540 125.007 121.223 0.407 0.000 2.264 290 L HA 0.735 5.074 4.340 -0.000 0.000 0.289 290 L C -1.135 175.985 176.870 0.417 0.000 1.044 290 L CA -0.113 54.918 54.840 0.318 0.000 0.807 290 L CB 1.022 43.214 42.059 0.222 0.000 1.192 290 L HN 0.966 nan 8.230 nan 0.000 0.425 291 W N 6.670 128.043 121.300 0.121 0.000 2.715 291 W HA 0.500 5.160 4.660 0.000 0.000 0.331 291 W C 0.242 176.805 176.519 0.074 0.000 1.031 291 W CA -0.865 56.541 57.345 0.100 0.000 1.237 291 W CB 0.867 30.369 29.460 0.069 0.000 1.378 291 W HN 0.656 nan 8.180 nan 0.000 0.454 292 R N 4.550 124.794 120.500 -0.426 0.000 3.405 292 R HA -0.216 4.124 4.340 -0.000 0.000 0.258 292 R C 1.147 177.302 176.300 -0.242 0.000 1.030 292 R CA 1.480 57.289 56.100 -0.485 0.000 0.691 292 R CB -1.587 28.138 30.300 -0.958 0.000 1.093 292 R HN 1.464 nan 8.270 nan 0.000 0.448 293 G N -0.267 108.475 108.800 -0.095 0.000 2.184 293 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.264 293 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.264 293 G C 0.026 174.917 174.900 -0.015 0.000 0.975 293 G CA 1.069 46.141 45.100 -0.046 0.000 0.642 293 G HN 0.627 nan 8.290 nan 0.000 0.536 294 K N -0.647 119.762 120.400 0.015 0.000 2.433 294 K HA 0.827 5.147 4.320 -0.000 0.000 0.252 294 K C -0.315 176.364 176.600 0.132 0.000 1.015 294 K CA -1.372 54.950 56.287 0.059 0.000 0.860 294 K CB 1.568 34.095 32.500 0.045 0.000 1.359 294 K HN 0.108 nan 8.250 nan 0.000 0.452 295 L N 1.725 123.007 121.223 0.097 0.000 2.326 295 L HA 0.453 4.793 4.340 -0.000 0.000 0.278 295 L C -0.637 176.286 176.870 0.089 0.000 1.092 295 L CA -1.020 53.875 54.840 0.091 0.000 0.810 295 L CB 1.476 43.558 42.059 0.039 0.000 1.153 295 L HN 0.380 nan 8.230 nan 0.000 0.439 296 V N 1.642 121.600 119.914 0.074 0.000 2.876 296 V HA 0.719 4.839 4.120 -0.000 0.000 0.312 296 V C -0.199 175.866 176.094 -0.049 0.000 1.085 296 V CA -0.458 61.847 62.300 0.009 0.000 0.945 296 V CB 2.186 34.002 31.823 -0.013 0.000 1.017 296 V HN 0.855 nan 8.190 nan 0.000 0.428 297 T N 1.257 115.769 114.554 -0.070 0.000 2.762 297 T HA 0.597 4.947 4.350 -0.000 0.000 0.301 297 T C -0.688 173.990 174.700 -0.037 0.000 1.299 297 T CA 0.119 62.178 62.100 -0.068 0.000 1.005 297 T CB 1.979 70.826 68.868 -0.034 0.000 1.377 297 T HN 1.090 nan 8.240 nan 0.000 0.504 298 S N 1.192 116.887 115.700 -0.008 0.000 2.690 298 S HA 0.687 5.157 4.470 -0.000 0.000 0.291 298 S C -0.848 173.828 174.600 0.126 0.000 1.138 298 S CA -0.618 57.594 58.200 0.020 0.000 1.013 298 S CB 1.278 64.472 63.200 -0.012 0.000 1.053 298 S HN 0.903 nan 8.310 nan 0.000 0.539 299 H N -0.296 118.759 119.070 -0.025 0.000 2.947 299 H HA 0.491 5.047 4.556 -0.000 0.000 0.354 299 H C -1.659 173.617 175.328 -0.086 0.000 1.085 299 H CA -0.252 55.763 56.048 -0.056 0.000 1.253 299 H CB 2.065 31.831 29.762 0.007 0.000 1.757 299 H HN 0.803 nan 8.280 nan 0.000 0.523 300 T N 2.384 116.529 114.554 -0.681 0.000 2.901 300 T HA 0.647 4.997 4.350 -0.000 0.000 0.293 300 T C -1.183 173.166 174.700 -0.586 0.000 1.084 300 T CA 0.020 61.780 62.100 -0.567 0.000 1.008 300 T CB 1.445 70.171 68.868 -0.236 0.000 1.170 300 T HN 0.840 nan 8.240 nan 0.000 0.509 301 S N 1.344 116.885 115.700 -0.264 0.000 2.655 301 S HA 0.383 4.853 4.470 -0.000 0.000 0.266 301 S C 0.609 175.265 174.600 0.092 0.000 1.149 301 S CA -0.837 57.307 58.200 -0.093 0.000 0.818 301 S CB 0.287 63.466 63.200 -0.036 0.000 1.130 301 S HN 0.595 nan 8.310 nan 0.000 0.476 302 L N 1.544 122.796 121.223 0.050 0.000 2.349 302 L HA -0.026 4.314 4.340 -0.000 0.000 0.220 302 L C 2.231 179.228 176.870 0.212 0.000 1.130 302 L CA 1.627 56.508 54.840 0.069 0.000 0.791 302 L CB -0.351 41.715 42.059 0.011 0.000 0.918 302 L HN 0.911 nan 8.230 nan 0.000 0.444 303 S N -3.950 111.909 115.700 0.265 0.000 2.603 303 S HA 0.142 4.612 4.470 -0.000 0.000 0.232 303 S C 0.511 175.295 174.600 0.307 0.000 1.016 303 S CA -0.452 57.947 58.200 0.332 0.000 0.976 303 S CB 0.489 63.809 63.200 0.200 0.000 0.921 303 S HN 0.116 nan 8.310 nan 0.000 0.516 304 T N 4.481 119.156 114.554 0.201 0.000 2.906 304 T HA 0.506 4.856 4.350 -0.000 0.000 0.302 304 T C -3.099 171.381 174.700 -0.367 0.000 1.002 304 T CA -1.285 60.751 62.100 -0.106 0.000 0.988 304 T CB 1.798 70.627 68.868 -0.065 0.000 0.972 304 T HN 0.020 nan 8.240 nan 0.000 0.447 305 P HA 0.175 nan 4.420 nan 0.000 0.269 305 P C -2.595 174.436 177.300 -0.448 0.000 1.217 305 P CA -1.217 61.258 63.100 -1.042 0.000 0.783 305 P CB -0.379 30.656 31.700 -1.109 0.000 0.898 306 P HA 0.098 nan 4.420 nan 0.000 0.268 306 P C -0.186 177.093 177.300 -0.036 0.000 1.204 306 P CA 0.575 63.580 63.100 -0.158 0.000 0.768 306 P CB 0.360 31.993 31.700 -0.112 0.000 0.842 307 R N 2.173 122.674 120.500 0.000 0.000 2.766 307 R HA 0.665 5.005 4.340 -0.000 0.000 0.270 307 R C -1.445 174.840 176.300 -0.025 0.000 1.035 307 R CA -0.921 55.202 56.100 0.038 0.000 0.911 307 R CB 0.927 31.227 30.300 -0.001 0.000 1.243 307 R HN 0.065 nan 8.270 nan 0.000 0.460 308 I N 2.541 123.017 120.570 -0.156 0.000 2.362 308 I HA 0.398 4.568 4.170 -0.000 0.000 0.289 308 I C 0.206 176.208 176.117 -0.192 0.000 0.994 308 I CA -0.835 60.343 61.300 -0.203 0.000 1.158 308 I CB 1.255 39.029 38.000 -0.378 0.000 1.315 308 I HN 0.626 nan 8.210 nan 0.000 0.451 309 V N 2.732 122.579 119.914 -0.111 0.000 3.074 309 V HA 0.758 4.878 4.120 -0.000 0.000 0.314 309 V C -0.116 175.934 176.094 -0.074 0.000 1.117 309 V CA -0.688 61.558 62.300 -0.090 0.000 1.014 309 V CB 1.939 33.727 31.823 -0.059 0.000 1.057 309 V HN 0.711 nan 8.190 nan 0.000 0.438 310 S N 1.608 117.279 115.700 -0.048 0.000 2.578 310 S HA 0.797 5.267 4.470 -0.000 0.000 0.283 310 S C -0.644 173.944 174.600 -0.020 0.000 1.195 310 S CA -0.665 57.535 58.200 -0.001 0.000 1.050 310 S CB 0.525 63.748 63.200 0.039 0.000 1.012 310 S HN 0.710 nan 8.310 nan 0.000 0.511 311 L N 4.900 126.116 121.223 -0.013 0.000 2.346 311 L HA 0.529 4.869 4.340 -0.000 0.000 0.274 311 L C -1.675 175.181 176.870 -0.024 0.000 1.007 311 L CA -1.713 53.102 54.840 -0.041 0.000 0.818 311 L CB 2.109 44.125 42.059 -0.071 0.000 1.284 311 L HN 0.571 nan 8.230 nan 0.000 0.424 312 P HA 0.063 nan 4.420 nan 0.000 0.274 312 P C 0.943 178.215 177.300 -0.048 0.000 1.352 312 P CA 0.025 63.092 63.100 -0.055 0.000 0.947 312 P CB 0.658 32.326 31.700 -0.052 0.000 1.437 313 S N -0.294 115.387 115.700 -0.033 0.000 2.423 313 S HA 0.062 4.532 4.470 -0.000 0.000 0.231 313 S C 1.881 176.455 174.600 -0.044 0.000 1.014 313 S CA 1.072 59.255 58.200 -0.029 0.000 0.965 313 S CB -1.633 61.558 63.200 -0.015 0.000 0.785 313 S HN 0.283 nan 8.310 nan 0.000 0.495 314 G N 1.015 109.779 108.800 -0.059 0.000 2.166 314 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.260 314 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.260 314 G C -0.237 174.619 174.900 -0.073 0.000 0.986 314 G CA 0.400 45.448 45.100 -0.087 0.000 0.683 314 G HN 0.654 nan 8.290 nan 0.000 0.527 315 E N 1.568 121.740 120.200 -0.046 0.000 2.338 315 E HA 0.345 4.695 4.350 -0.000 0.000 0.272 315 E C -2.075 174.494 176.600 -0.052 0.000 1.029 315 E CA -1.592 54.786 56.400 -0.037 0.000 0.872 315 E CB 1.157 30.846 29.700 -0.018 0.000 1.015 315 E HN 0.235 nan 8.360 nan 0.000 0.417 316 P HA 0.046 nan 4.420 nan 0.000 0.279 316 P C -0.001 177.216 177.300 -0.139 0.000 1.239 316 P CA 0.046 63.086 63.100 -0.100 0.000 0.789 316 P CB 1.092 32.741 31.700 -0.085 0.000 0.933 317 L N 1.689 122.764 121.223 -0.246 0.000 2.221 317 L HA 0.211 4.551 4.340 -0.000 0.000 0.202 317 L C 0.849 177.433 176.870 -0.476 0.000 1.074 317 L CA 0.875 55.490 54.840 -0.376 0.000 0.795 317 L CB -0.058 41.625 42.059 -0.627 0.000 0.960 317 L HN 0.281 nan 8.230 nan 0.000 0.458 318 L N 0.017 120.909 121.223 -0.550 0.000 2.436 318 L HA 0.433 4.772 4.340 -0.000 0.000 0.268 318 L C -0.889 175.654 176.870 -0.545 0.000 0.974 318 L CA -0.336 54.084 54.840 -0.701 0.000 0.826 318 L CB 2.321 43.643 42.059 -1.229 0.000 1.291 318 L HN 0.026 nan 8.230 nan 0.000 0.406 319 E N 2.351 122.390 120.200 -0.269 0.000 2.375 319 E HA 0.538 4.888 4.350 -0.000 0.000 0.280 319 E C -1.143 175.531 176.600 0.123 0.000 0.972 319 E CA -0.782 55.614 56.400 -0.007 0.000 0.782 319 E CB 2.089 31.753 29.700 -0.061 0.000 1.229 319 E HN 0.560 nan 8.360 nan 0.000 0.439 320 G N 0.631 109.500 108.800 0.116 0.000 2.539 320 G HA2 0.497 4.457 3.960 -0.000 0.000 0.258 320 G HA3 0.497 4.457 3.960 -0.000 0.000 0.258 320 G C 0.051 174.933 174.900 -0.031 0.000 1.202 320 G CA -0.222 44.891 45.100 0.021 0.000 0.851 320 G HN 0.486 nan 8.290 nan 0.000 0.556 321 G N -0.256 108.527 108.800 -0.028 0.000 2.322 321 G HA2 0.534 4.494 3.960 -0.000 0.000 0.309 321 G HA3 0.534 4.494 3.960 -0.000 0.000 0.309 321 G C -0.437 174.445 174.900 -0.030 0.000 1.121 321 G CA -0.517 44.568 45.100 -0.025 0.000 0.886 321 G HN 0.523 nan 8.290 nan 0.000 0.447 322 L N 2.935 124.144 121.223 -0.023 0.000 2.342 322 L HA 0.409 4.749 4.340 -0.000 0.000 0.271 322 L C -2.030 174.847 176.870 0.012 0.000 1.008 322 L CA -2.021 52.819 54.840 -0.001 0.000 0.818 322 L CB 2.609 44.672 42.059 0.007 0.000 1.296 322 L HN 0.338 nan 8.230 nan 0.000 0.427 323 P HA 0.039 nan 4.420 nan 0.000 0.269 323 P C 0.205 177.521 177.300 0.027 0.000 1.209 323 P CA -0.208 62.905 63.100 0.022 0.000 0.776 323 P CB 0.879 32.593 31.700 0.024 0.000 0.876 324 E N 1.783 121.997 120.200 0.024 0.000 2.077 324 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 324 E C 1.111 177.731 176.600 0.033 0.000 0.989 324 E CA 1.937 58.354 56.400 0.027 0.000 0.800 324 E CB -0.471 29.242 29.700 0.022 0.000 0.746 324 E HN 0.513 nan 8.360 nan 0.000 0.452 325 D N 0.356 120.773 120.400 0.029 0.000 2.106 325 D HA -0.231 4.409 4.640 -0.000 0.000 0.191 325 D C 1.978 178.301 176.300 0.040 0.000 0.997 325 D CA 1.083 55.101 54.000 0.030 0.000 0.834 325 D CB -0.915 39.899 40.800 0.023 0.000 0.956 325 D HN 0.278 nan 8.370 nan 0.000 0.448 326 L N 0.206 121.455 121.223 0.044 0.000 2.042 326 L HA -0.100 4.240 4.340 -0.000 0.000 0.210 326 L C 2.383 179.300 176.870 0.077 0.000 1.076 326 L CA 1.701 56.576 54.840 0.059 0.000 0.749 326 L CB -0.492 41.604 42.059 0.061 0.000 0.893 326 L HN -0.044 nan 8.230 nan 0.000 0.432 327 R N -0.968 119.575 120.500 0.072 0.000 2.092 327 R HA -0.153 4.187 4.340 -0.000 0.000 0.231 327 R C 2.400 178.749 176.300 0.081 0.000 1.119 327 R CA 1.197 57.347 56.100 0.083 0.000 0.970 327 R CB -0.099 30.237 30.300 0.060 0.000 0.864 327 R HN 0.238 nan 8.270 nan 0.000 0.440 328 R N 0.090 120.629 120.500 0.064 0.000 2.193 328 R HA -0.077 4.263 4.340 -0.000 0.000 0.229 328 R C 2.267 178.608 176.300 0.068 0.000 1.110 328 R CA 1.617 57.754 56.100 0.061 0.000 0.988 328 R CB -0.058 30.270 30.300 0.047 0.000 0.871 328 R HN 0.301 nan 8.270 nan 0.000 0.458 329 S N -0.384 115.357 115.700 0.068 0.000 2.428 329 S HA -0.051 4.419 4.470 -0.000 0.000 0.230 329 S C 0.832 175.483 174.600 0.086 0.000 1.014 329 S CA 0.488 58.727 58.200 0.064 0.000 0.957 329 S CB -0.074 63.158 63.200 0.054 0.000 0.784 329 S HN 0.139 nan 8.310 nan 0.000 0.499 330 I N 2.405 123.038 120.570 0.105 0.000 2.227 330 I HA 0.330 4.500 4.170 -0.000 0.000 0.297 330 I C 1.174 177.365 176.117 0.122 0.000 1.173 330 I CA -0.104 61.269 61.300 0.122 0.000 1.356 330 I CB 0.549 38.639 38.000 0.150 0.000 1.485 330 I HN 0.295 nan 8.210 nan 0.000 0.604 331 A N 4.522 127.416 122.820 0.123 0.000 2.238 331 A HA 0.584 4.904 4.320 -0.000 0.000 0.208 331 A C 1.104 178.756 177.584 0.113 0.000 1.177 331 A CA 0.553 52.658 52.037 0.113 0.000 0.804 331 A CB -0.547 18.523 19.000 0.116 0.000 0.823 331 A HN 0.772 nan 8.150 nan 0.000 0.482 332 G N -1.389 107.486 108.800 0.125 0.000 2.379 332 G HA2 0.415 4.375 3.960 -0.000 0.000 0.609 332 G HA3 0.415 4.375 3.960 -0.000 0.000 0.609 332 G C -0.640 174.341 174.900 0.136 0.000 1.484 332 G CA -0.304 44.870 45.100 0.123 0.000 0.921 332 G HN 1.303 nan 8.290 nan 0.000 0.658 333 S N -0.059 115.728 115.700 0.147 0.000 2.561 333 S HA 0.889 5.359 4.470 -0.000 0.000 0.303 333 S C -0.129 174.580 174.600 0.182 0.000 1.110 333 S CA -0.800 57.504 58.200 0.174 0.000 1.034 333 S CB 2.054 65.370 63.200 0.194 0.000 1.010 333 S HN 1.260 nan 8.310 nan 0.000 0.482 334 R N 1.062 121.655 120.500 0.155 0.000 2.873 334 R HA 0.821 5.161 4.340 -0.000 0.000 0.264 334 R C -1.225 175.056 176.300 -0.032 0.000 1.026 334 R CA -1.167 54.993 56.100 0.099 0.000 1.002 334 R CB 0.673 31.020 30.300 0.078 0.000 1.174 334 R HN 0.510 nan 8.270 nan 0.000 0.488 335 L N 1.897 122.996 121.223 -0.207 0.000 2.289 335 L HA 0.589 4.929 4.340 -0.000 0.000 0.285 335 L C -0.738 175.890 176.870 -0.404 0.000 1.049 335 L CA -0.485 53.985 54.840 -0.616 0.000 0.804 335 L CB 1.797 43.430 42.059 -0.710 0.000 1.195 335 L HN 0.666 nan 8.230 nan 0.000 0.428 336 V N 1.494 121.069 119.914 -0.563 0.000 2.925 336 V HA 0.654 4.774 4.120 -0.000 0.000 0.311 336 V C -1.643 174.064 176.094 -0.645 0.000 1.104 336 V CA -0.770 61.248 62.300 -0.470 0.000 0.954 336 V CB 1.728 33.186 31.823 -0.609 0.000 1.022 336 V HN 0.836 nan 8.190 nan 0.000 0.427 337 W N 2.620 123.687 121.300 -0.388 0.000 2.278 337 W HA 0.723 5.383 4.660 0.000 0.000 0.317 337 W C -0.383 175.933 176.519 -0.338 0.000 1.030 337 W CA -0.612 56.530 57.345 -0.339 0.000 1.334 337 W CB 1.837 31.146 29.460 -0.252 0.000 1.215 337 W HN 0.555 nan 8.180 nan 0.000 0.405 338 V N 3.143 122.938 119.914 -0.200 0.000 2.432 338 V HA 0.120 4.239 4.120 -0.000 0.000 0.275 338 V C 0.348 176.441 176.094 -0.003 0.000 1.043 338 V CA -1.050 61.150 62.300 -0.168 0.000 0.925 338 V CB 1.290 33.001 31.823 -0.187 0.000 0.985 338 V HN 0.451 nan 8.190 nan 0.000 0.466 339 E N 3.292 123.519 120.200 0.044 0.000 2.299 339 E HA 0.272 4.622 4.350 -0.000 0.000 0.272 339 E C -0.019 176.642 176.600 0.102 0.000 1.043 339 E CA -0.001 56.438 56.400 0.065 0.000 0.895 339 E CB 0.782 30.519 29.700 0.061 0.000 1.011 339 E HN 0.735 nan 8.360 nan 0.000 0.432 340 S N 3.091 118.859 115.700 0.114 0.000 2.758 340 S HA 0.204 4.674 4.470 -0.000 0.000 0.292 340 S C 0.882 175.578 174.600 0.159 0.000 1.131 340 S CA -0.565 57.751 58.200 0.193 0.000 0.997 340 S CB 0.322 63.689 63.200 0.278 0.000 1.111 340 S HN 0.600 nan 8.310 nan 0.000 0.552 341 F N 1.249 121.247 119.950 0.081 0.000 2.192 341 F HA -0.060 4.467 4.527 -0.000 0.000 0.301 341 F C 1.390 177.224 175.800 0.058 0.000 1.079 341 F CA 1.687 59.722 58.000 0.059 0.000 1.303 341 F CB -0.346 38.684 39.000 0.049 0.000 1.024 341 F HN 0.542 nan 8.300 nan 0.000 0.494 342 D N -0.964 118.897 120.400 -0.897 0.000 2.402 342 D HA 0.226 4.866 4.640 -0.000 0.000 0.216 342 D C 1.733 177.856 176.300 -0.295 0.000 1.128 342 D CA 0.314 53.878 54.000 -0.726 0.000 0.833 342 D CB 0.046 40.220 40.800 -1.044 0.000 0.971 342 D HN 0.497 nan 8.370 nan 0.000 0.503 343 G N 0.017 108.716 108.800 -0.168 0.000 2.179 343 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.260 343 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.260 343 G C 0.359 175.225 174.900 -0.057 0.000 0.977 343 G CA 0.281 45.333 45.100 -0.080 0.000 0.641 343 G HN 0.420 nan 8.290 nan 0.000 0.533 344 S N 1.332 117.004 115.700 -0.046 0.000 2.576 344 S HA 0.565 5.035 4.470 -0.000 0.000 0.276 344 S C 0.572 175.171 174.600 -0.001 0.000 1.339 344 S CA -0.382 57.821 58.200 0.005 0.000 1.039 344 S CB 0.865 64.169 63.200 0.174 0.000 0.902 344 S HN 0.413 nan 8.310 nan 0.000 0.516 345 R N 1.866 122.321 120.500 -0.073 0.000 2.294 345 R HA 0.355 4.695 4.340 -0.000 0.000 0.319 345 R C -1.107 175.125 176.300 -0.115 0.000 0.984 345 R CA -0.512 55.583 56.100 -0.009 0.000 0.861 345 R CB 0.768 31.120 30.300 0.086 0.000 1.104 345 R HN 0.355 nan 8.270 nan 0.000 0.451 346 V N 6.176 126.040 119.914 -0.083 0.000 2.334 346 V HA 0.193 4.313 4.120 -0.000 0.000 0.267 346 V C -1.864 173.970 176.094 -0.434 0.000 1.040 346 V CA -1.897 60.303 62.300 -0.166 0.000 0.866 346 V CB 1.183 33.056 31.823 0.084 0.000 1.019 346 V HN 0.554 nan 8.190 nan 0.000 0.468 347 P HA 0.220 nan 4.420 nan 0.000 0.271 347 P C -0.321 176.538 177.300 -0.735 0.000 1.226 347 P CA 0.142 62.457 63.100 -1.309 0.000 0.765 347 P CB 0.646 31.246 31.700 -1.834 0.000 0.835 348 T N 3.767 117.891 114.554 -0.716 0.000 2.949 348 T HA 0.287 4.637 4.350 -0.000 0.000 0.300 348 T C -0.753 173.690 174.700 -0.428 0.000 0.988 348 T CA -0.202 61.655 62.100 -0.404 0.000 0.993 348 T CB 0.195 68.837 68.868 -0.377 0.000 0.984 348 T HN 0.115 nan 8.240 nan 0.000 0.442 349 Y N 1.984 122.202 120.300 -0.137 0.000 2.319 349 Y HA 0.469 5.019 4.550 0.000 0.000 0.328 349 Y C 0.394 176.289 175.900 -0.008 0.000 1.133 349 Y CA -0.299 57.760 58.100 -0.068 0.000 1.265 349 Y CB 0.862 39.310 38.460 -0.020 0.000 1.218 349 Y HN 0.296 nan 8.280 nan 0.000 0.508 350 V N 5.537 125.540 119.914 0.147 0.000 2.495 350 V HA 0.301 4.421 4.120 -0.000 0.000 0.298 350 V C -0.958 175.255 176.094 0.197 0.000 1.031 350 V CA -0.906 61.501 62.300 0.178 0.000 0.871 350 V CB 1.748 33.686 31.823 0.193 0.000 0.988 350 V HN 0.438 nan 8.190 nan 0.000 0.432 351 L N 4.425 125.764 121.223 0.194 0.000 2.294 351 L HA 0.730 5.070 4.340 -0.000 0.000 0.283 351 L C 0.372 177.371 176.870 0.215 0.000 1.015 351 L CA 0.069 55.016 54.840 0.178 0.000 0.831 351 L CB 1.117 43.260 42.059 0.140 0.000 1.217 351 L HN 0.886 nan 8.230 nan 0.000 0.420 352 E N 2.388 122.708 120.200 0.200 0.000 2.343 352 E HA 0.544 4.894 4.350 -0.000 0.000 0.269 352 E C -0.303 176.492 176.600 0.325 0.000 1.047 352 E CA -0.075 56.486 56.400 0.269 0.000 0.874 352 E CB 1.313 31.079 29.700 0.111 0.000 1.033 352 E HN 0.672 nan 8.360 nan 0.000 0.409 353 S N 0.774 116.766 115.700 0.487 0.000 2.462 353 S HA 0.530 5.000 4.470 -0.000 0.000 0.294 353 S C 1.302 175.991 174.600 0.148 0.000 1.144 353 S CA 0.061 58.373 58.200 0.186 0.000 1.088 353 S CB 1.059 64.256 63.200 -0.005 0.000 1.009 353 S HN 0.966 nan 8.310 nan 0.000 0.484 354 G N 3.425 112.284 108.800 0.097 0.000 2.679 354 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.212 354 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.212 354 G C 0.950 175.867 174.900 0.029 0.000 1.137 354 G CA 0.001 45.144 45.100 0.072 0.000 0.787 354 G HN 0.749 nan 8.290 nan 0.000 0.534 355 R N -0.143 120.350 120.500 -0.012 0.000 2.586 355 R HA 0.531 4.871 4.340 -0.000 0.000 0.336 355 R C -0.004 176.221 176.300 -0.125 0.000 1.060 355 R CA 0.002 56.068 56.100 -0.058 0.000 1.079 355 R CB 0.837 31.099 30.300 -0.063 0.000 1.317 355 R HN 0.222 nan 8.270 nan 0.000 0.568 356 A N 1.536 124.278 122.820 -0.129 0.000 2.475 356 A HA 0.645 4.965 4.320 -0.000 0.000 0.301 356 A C -2.601 174.966 177.584 -0.027 0.000 1.059 356 A CA -1.617 50.298 52.037 -0.203 0.000 0.710 356 A CB 1.428 20.087 19.000 -0.569 0.000 1.288 356 A HN -0.084 nan 8.150 nan 0.000 0.408 357 P HA 0.472 nan 4.420 nan 0.000 0.277 357 P C -0.574 176.849 177.300 0.205 0.000 1.271 357 P CA -0.056 63.091 63.100 0.079 0.000 0.795 357 P CB 0.743 32.461 31.700 0.031 0.000 1.101 358 T N 1.659 116.293 114.554 0.133 0.000 2.833 358 T HA 0.401 4.751 4.350 -0.000 0.000 0.297 358 T C -2.200 172.520 174.700 0.034 0.000 1.015 358 T CA -0.911 61.242 62.100 0.089 0.000 0.963 358 T CB 0.556 69.438 68.868 0.022 0.000 0.955 358 T HN 0.384 nan 8.240 nan 0.000 0.449 359 P HA 0.674 nan 4.420 nan 0.000 0.274 359 P C -0.036 177.320 177.300 0.095 0.000 1.237 359 P CA -0.228 62.897 63.100 0.042 0.000 0.793 359 P CB 1.150 32.851 31.700 0.001 0.000 0.977 360 G N 0.303 109.202 108.800 0.165 0.000 2.606 360 G HA2 0.504 4.463 3.960 -0.000 0.000 0.300 360 G HA3 0.504 4.463 3.960 -0.000 0.000 0.300 360 G C -3.354 171.641 174.900 0.158 0.000 1.360 360 G CA -1.188 43.985 45.100 0.122 0.000 0.783 360 G HN 0.221 nan 8.290 nan 0.000 0.484 361 P HA 0.307 nan 4.420 nan 0.000 0.264 361 P C -0.444 177.073 177.300 0.361 0.000 1.193 361 P CA 0.539 63.780 63.100 0.234 0.000 0.763 361 P CB 0.885 32.605 31.700 0.033 0.000 0.810 362 T N 2.243 117.098 114.554 0.501 0.000 2.893 362 T HA 0.427 4.776 4.350 -0.000 0.000 0.293 362 T C -0.659 174.328 174.700 0.479 0.000 1.027 362 T CA -0.476 61.904 62.100 0.467 0.000 0.988 362 T CB 1.265 70.344 68.868 0.353 0.000 1.043 362 T HN -0.060 nan 8.240 nan 0.000 0.461 363 V N 2.958 123.080 119.914 0.346 0.000 2.384 363 V HA 0.363 4.483 4.120 -0.000 0.000 0.287 363 V C -0.028 176.175 176.094 0.181 0.000 1.020 363 V CA -0.814 61.609 62.300 0.204 0.000 0.850 363 V CB 1.808 33.626 31.823 -0.008 0.000 0.987 363 V HN 0.763 nan 8.190 nan 0.000 0.436 364 V N 6.530 126.541 119.914 0.161 0.000 2.405 364 V HA 0.198 4.318 4.120 -0.000 0.000 0.264 364 V C -0.039 176.059 176.094 0.007 0.000 1.048 364 V CA -0.134 62.240 62.300 0.124 0.000 0.966 364 V CB 1.004 32.941 31.823 0.190 0.000 1.015 364 V HN 0.609 nan 8.190 nan 0.000 0.477 365 L N 8.032 129.282 121.223 0.045 0.000 2.272 365 L HA 0.499 4.839 4.340 -0.000 0.000 0.284 365 L C -0.193 176.700 176.870 0.038 0.000 1.045 365 L CA 0.231 55.077 54.840 0.009 0.000 0.842 365 L CB 1.273 43.356 42.059 0.040 0.000 1.224 365 L HN 0.409 nan 8.230 nan 0.000 0.430 366 V N 5.087 124.994 119.914 -0.010 0.000 2.406 366 V HA 0.273 4.393 4.120 -0.000 0.000 0.272 366 V C 0.106 176.251 176.094 0.085 0.000 1.043 366 V CA -0.719 61.597 62.300 0.026 0.000 0.915 366 V CB 0.611 32.383 31.823 -0.085 0.000 0.988 366 V HN 0.920 nan 8.190 nan 0.000 0.466 367 H N 2.846 122.063 119.070 0.246 0.000 2.671 367 H HA 0.614 5.170 4.556 -0.000 0.000 0.372 367 H C 0.563 176.054 175.328 0.271 0.000 1.227 367 H CA 0.178 56.339 56.048 0.189 0.000 1.426 367 H CB 0.543 30.382 29.762 0.128 0.000 1.480 367 H HN 0.669 nan 8.280 nan 0.000 0.611 368 G N -0.766 108.287 108.800 0.420 0.000 2.510 368 G HA2 0.504 4.464 3.960 -0.000 0.000 0.280 368 G HA3 0.504 4.464 3.960 -0.000 0.000 0.280 368 G C 0.463 175.627 174.900 0.441 0.000 1.386 368 G CA -0.399 44.920 45.100 0.365 0.000 1.047 368 G HN 1.297 nan 8.290 nan 0.000 0.527 369 G N -0.785 108.186 108.800 0.286 0.000 2.222 369 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.218 369 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.218 369 G C -1.356 173.603 174.900 0.099 0.000 1.450 369 G CA 0.550 45.758 45.100 0.180 0.000 1.361 369 G HN 0.766 nan 8.290 nan 0.000 0.474 370 P HA 0.233 nan 4.420 nan 0.000 0.241 370 P C 0.300 177.471 177.300 -0.216 0.000 1.191 370 P CA 0.374 63.268 63.100 -0.343 0.000 0.771 370 P CB -0.195 30.904 31.700 -1.002 0.000 0.929 371 F N 1.237 121.245 119.950 0.096 0.000 2.626 371 F HA 0.478 5.005 4.527 -0.000 0.000 0.353 371 F C 1.215 177.017 175.800 0.003 0.000 1.230 371 F CA -0.479 57.545 58.000 0.041 0.000 1.298 371 F CB -0.128 38.904 39.000 0.054 0.000 1.670 371 F HN 0.026 nan 8.300 nan 0.000 0.633 372 A N 1.733 124.576 122.820 0.037 0.000 2.534 372 A HA 0.796 5.115 4.320 -0.000 0.000 0.300 372 A C -1.313 176.003 177.584 -0.446 0.000 1.223 372 A CA -0.754 51.200 52.037 -0.139 0.000 0.666 372 A CB 1.949 20.881 19.000 -0.112 0.000 1.316 372 A HN 0.405 nan 8.150 nan 0.000 0.468 373 E N 0.452 120.391 120.200 -0.435 0.000 2.321 373 E HA 0.388 4.738 4.350 -0.000 0.000 0.281 373 E C -1.908 174.564 176.600 -0.214 0.000 0.910 373 E CA -0.599 55.622 56.400 -0.298 0.000 0.770 373 E CB 1.554 31.209 29.700 -0.075 0.000 1.225 373 E HN 0.472 nan 8.360 nan 0.000 0.417 374 D N 2.712 123.054 120.400 -0.096 0.000 2.316 374 D HA 0.213 4.853 4.640 -0.000 0.000 0.245 374 D C -0.408 175.918 176.300 0.042 0.000 1.171 374 D CA 0.353 54.371 54.000 0.031 0.000 0.856 374 D CB 1.369 42.273 40.800 0.173 0.000 1.090 374 D HN 0.448 nan 8.370 nan 0.000 0.476 375 S N 1.267 116.894 115.700 -0.121 0.000 2.810 375 S HA 0.342 4.812 4.470 -0.000 0.000 0.315 375 S C -0.296 173.907 174.600 -0.662 0.000 1.138 375 S CA -0.950 57.063 58.200 -0.313 0.000 0.889 375 S CB 1.890 65.000 63.200 -0.150 0.000 1.236 375 S HN 0.130 nan 8.310 nan 0.000 0.548 376 D N 0.989 120.910 120.400 -0.799 0.000 2.558 376 D HA 0.522 5.161 4.640 -0.000 0.000 0.221 376 D C -0.892 175.255 176.300 -0.255 0.000 1.143 376 D CA 0.225 53.868 54.000 -0.594 0.000 1.010 376 D CB -0.627 39.922 40.800 -0.418 0.000 1.068 376 D HN 0.423 nan 8.370 nan 0.000 0.511 377 S N 1.809 117.392 115.700 -0.194 0.000 2.546 377 S HA 0.245 4.715 4.470 -0.000 0.000 0.274 377 S C -1.021 173.580 174.600 0.000 0.000 1.121 377 S CA -0.921 57.226 58.200 -0.089 0.000 0.887 377 S CB 1.383 64.531 63.200 -0.088 0.000 1.094 377 S HN 0.402 nan 8.310 nan 0.000 0.474 378 W N 3.552 124.767 121.300 -0.142 0.000 2.295 378 W HA 0.143 4.802 4.660 -0.000 0.000 0.335 378 W C -0.939 175.537 176.519 -0.071 0.000 1.351 378 W CA 0.872 58.154 57.345 -0.104 0.000 1.273 378 W CB 0.367 29.758 29.460 -0.115 0.000 1.214 378 W HN 0.580 nan 8.180 nan 0.000 0.563 379 D N 4.680 124.658 120.400 -0.703 0.000 2.476 379 D HA 0.121 4.761 4.640 -0.000 0.000 0.251 379 D C 0.811 176.676 176.300 -0.725 0.000 1.291 379 D CA -0.318 53.388 54.000 -0.489 0.000 0.939 379 D CB 1.580 42.244 40.800 -0.227 0.000 1.221 379 D HN 0.298 nan 8.370 nan 0.000 0.567 380 T N 2.586 116.800 114.554 -0.566 0.000 2.684 380 T HA -0.130 4.219 4.350 -0.000 0.000 0.267 380 T C 1.688 176.154 174.700 -0.391 0.000 1.036 380 T CA 1.272 63.069 62.100 -0.504 0.000 1.148 380 T CB -0.268 68.365 68.868 -0.392 0.000 0.863 380 T HN 0.410 nan 8.240 nan 0.000 0.436 381 F N 1.695 121.516 119.950 -0.215 0.000 2.069 381 F HA -0.059 4.468 4.527 0.000 0.000 0.298 381 F C 2.761 178.485 175.800 -0.127 0.000 1.113 381 F CA 1.061 58.984 58.000 -0.129 0.000 1.214 381 F CB -0.970 37.989 39.000 -0.068 0.000 0.978 381 F HN 0.116 nan 8.300 nan 0.000 0.474 382 A N 0.071 122.921 122.820 0.050 0.000 1.908 382 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 382 A C 2.367 179.903 177.584 -0.079 0.000 1.181 382 A CA 2.024 54.053 52.037 -0.014 0.000 0.627 382 A CB -1.372 17.600 19.000 -0.047 0.000 0.818 382 A HN 0.350 nan 8.150 nan 0.000 0.445 383 A N -0.881 121.791 122.820 -0.247 0.000 1.930 383 A HA -0.008 4.312 4.320 -0.000 0.000 0.217 383 A C 2.408 179.947 177.584 -0.074 0.000 1.175 383 A CA 1.903 53.806 52.037 -0.222 0.000 0.627 383 A CB -0.695 17.996 19.000 -0.515 0.000 0.815 383 A HN 0.450 nan 8.150 nan 0.000 0.443 384 S N -0.132 115.519 115.700 -0.082 0.000 2.383 384 S HA -0.027 4.443 4.470 -0.000 0.000 0.227 384 S C 1.784 176.418 174.600 0.057 0.000 1.026 384 S CA 1.202 59.389 58.200 -0.021 0.000 0.981 384 S CB -0.370 62.788 63.200 -0.070 0.000 0.818 384 S HN 0.516 nan 8.310 nan 0.000 0.472 385 L N 1.111 122.380 121.223 0.078 0.000 2.056 385 L HA -0.086 4.254 4.340 -0.000 0.000 0.207 385 L C 2.811 179.819 176.870 0.230 0.000 1.078 385 L CA 1.111 56.054 54.840 0.171 0.000 0.749 385 L CB -0.715 41.408 42.059 0.107 0.000 0.901 385 L HN 0.312 nan 8.230 nan 0.000 0.433 386 A N 0.245 123.148 122.820 0.139 0.000 1.883 386 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 386 A C 2.506 180.136 177.584 0.076 0.000 1.186 386 A CA 1.868 53.972 52.037 0.112 0.000 0.624 386 A CB -0.756 18.300 19.000 0.094 0.000 0.822 386 A HN 0.405 nan 8.150 nan 0.000 0.444 387 A N -0.635 122.229 122.820 0.072 0.000 2.019 387 A HA 0.257 4.577 4.320 -0.000 0.000 0.219 387 A C 2.132 179.743 177.584 0.046 0.000 1.164 387 A CA 1.710 53.781 52.037 0.056 0.000 0.644 387 A CB -0.621 18.414 19.000 0.059 0.000 0.805 387 A HN 1.128 nan 8.150 nan 0.000 0.449 388 A N -1.811 121.061 122.820 0.087 0.000 2.307 388 A HA 0.453 4.772 4.320 -0.000 0.000 0.218 388 A C 1.505 179.027 177.584 -0.102 0.000 1.228 388 A CA 0.968 53.048 52.037 0.073 0.000 0.857 388 A CB -0.833 18.299 19.000 0.220 0.000 0.897 388 A HN 1.821 nan 8.150 nan 0.000 0.495 389 G N -1.615 107.102 108.800 -0.138 0.000 2.130 389 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 389 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 389 G C -0.225 174.337 174.900 -0.565 0.000 0.999 389 G CA -0.060 44.838 45.100 -0.336 0.000 0.686 389 G HN 0.334 nan 8.290 nan 0.000 0.515 390 F N 1.842 121.732 119.950 -0.101 0.000 2.458 390 F HA 0.544 5.071 4.527 -0.000 0.000 0.336 390 F C 1.013 176.780 175.800 -0.054 0.000 1.114 390 F CA -1.141 56.811 58.000 -0.079 0.000 0.987 390 F CB 1.021 40.019 39.000 -0.002 0.000 1.130 390 F HN 0.053 nan 8.300 nan 0.000 0.458 391 H N 2.149 121.372 119.070 0.255 0.000 2.790 391 H HA 0.326 4.882 4.556 -0.000 0.000 0.358 391 H C -0.397 175.074 175.328 0.238 0.000 1.103 391 H CA -0.028 56.145 56.048 0.209 0.000 1.426 391 H CB 1.132 30.997 29.762 0.172 0.000 1.424 391 H HN 0.261 nan 8.280 nan 0.000 0.599 392 V N 3.539 123.647 119.914 0.324 0.000 2.487 392 V HA 0.207 4.327 4.120 -0.000 0.000 0.298 392 V C -0.043 176.189 176.094 0.229 0.000 1.028 392 V CA -0.775 61.669 62.300 0.239 0.000 0.860 392 V CB 1.925 33.853 31.823 0.174 0.000 0.991 392 V HN 0.427 nan 8.190 nan 0.000 0.427 393 V N 6.100 126.148 119.914 0.223 0.000 2.409 393 V HA 0.516 4.635 4.120 -0.000 0.000 0.291 393 V C -0.151 176.048 176.094 0.174 0.000 1.020 393 V CA -0.357 62.075 62.300 0.221 0.000 0.848 393 V CB 1.661 33.655 31.823 0.285 0.000 0.990 393 V HN 0.900 nan 8.190 nan 0.000 0.430 394 M N 8.098 127.792 119.600 0.157 0.000 2.065 394 M HA 0.356 4.836 4.480 -0.000 0.000 0.308 394 M C -2.818 173.576 176.300 0.157 0.000 0.939 394 M CA -1.413 53.986 55.300 0.164 0.000 0.890 394 M CB 2.055 34.761 32.600 0.176 0.000 1.383 394 M HN 0.357 nan 8.290 nan 0.000 0.381 395 P HA 0.171 nan 4.420 nan 0.000 0.292 395 P C -1.013 176.423 177.300 0.226 0.000 1.287 395 P CA -0.372 62.815 63.100 0.144 0.000 0.800 395 P CB 0.823 32.630 31.700 0.177 0.000 0.945 396 N N 3.414 122.193 118.700 0.131 0.000 3.050 396 N HA 0.043 4.783 4.740 -0.000 0.000 0.289 396 N C 0.269 175.947 175.510 0.281 0.000 1.209 396 N CA -0.087 53.065 53.050 0.169 0.000 1.154 396 N CB -0.560 37.965 38.487 0.063 0.000 1.444 396 N HN 0.482 nan 8.380 nan 0.000 0.529 397 Y N 0.072 120.533 120.300 0.268 0.000 2.757 397 Y HA -0.035 4.515 4.550 -0.000 0.000 0.344 397 Y C 1.135 177.038 175.900 0.004 0.000 1.263 397 Y CA -1.210 57.009 58.100 0.198 0.000 1.493 397 Y CB 0.306 38.796 38.460 0.050 0.000 1.342 397 Y HN 0.276 nan 8.280 nan 0.000 0.627 398 R N 1.501 121.799 120.500 -0.337 0.000 2.640 398 R HA 0.356 4.696 4.340 -0.000 0.000 0.270 398 R C 0.898 176.891 176.300 -0.512 0.000 1.024 398 R CA 0.503 55.776 56.100 -1.378 0.000 1.085 398 R CB -0.176 29.249 30.300 -1.458 0.000 0.963 398 R HN 1.371 nan 8.270 nan 0.000 0.426 399 G N 1.721 110.214 108.800 -0.511 0.000 2.308 399 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.221 399 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.221 399 G C -0.018 174.823 174.900 -0.098 0.000 1.032 399 G CA 0.108 45.086 45.100 -0.203 0.000 0.623 399 G HN 0.704 nan 8.290 nan 0.000 0.506 400 S N 1.419 117.015 115.700 -0.173 0.000 2.572 400 S HA 0.491 4.961 4.470 -0.000 0.000 0.267 400 S C 0.936 175.657 174.600 0.201 0.000 1.361 400 S CA 0.710 58.919 58.200 0.014 0.000 1.009 400 S CB 0.989 64.267 63.200 0.131 0.000 0.888 400 S HN 1.334 nan 8.310 nan 0.000 0.553 401 T N -2.088 112.563 114.554 0.162 0.000 2.897 401 T HA 0.676 5.026 4.350 -0.000 0.000 0.278 401 T C 1.135 175.942 174.700 0.178 0.000 0.981 401 T CA -0.136 62.066 62.100 0.170 0.000 0.973 401 T CB 1.016 69.936 68.868 0.088 0.000 1.092 401 T HN 1.311 nan 8.240 nan 0.000 0.543 402 G N -0.408 108.421 108.800 0.048 0.000 2.176 402 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.232 402 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.232 402 G C 0.142 174.666 174.900 -0.626 0.000 0.986 402 G CA 0.288 45.256 45.100 -0.221 0.000 0.643 402 G HN 0.788 nan 8.290 nan 0.000 0.522 403 Y N 0.676 121.049 120.300 0.121 0.000 2.738 403 Y HA 0.496 5.046 4.550 -0.000 0.000 0.249 403 Y C 1.268 177.236 175.900 0.114 0.000 1.157 403 Y CA 0.318 58.472 58.100 0.091 0.000 1.189 403 Y CB 1.177 39.640 38.460 0.005 0.000 1.262 403 Y HN 1.211 nan 8.280 nan 0.000 0.554 404 G N 0.503 109.405 108.800 0.171 0.000 2.629 404 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.686 404 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.686 404 G C 0.023 175.024 174.900 0.168 0.000 1.232 404 G CA -0.327 44.856 45.100 0.139 0.000 0.803 404 G HN 0.114 nan 8.290 nan 0.000 0.638 405 E N -0.195 120.066 120.200 0.102 0.000 2.106 405 E HA -0.079 4.271 4.350 -0.000 0.000 0.192 405 E C 2.174 178.841 176.600 0.112 0.000 0.984 405 E CA 2.103 58.551 56.400 0.079 0.000 0.806 405 E CB -0.061 29.656 29.700 0.028 0.000 0.750 405 E HN 0.667 nan 8.360 nan 0.000 0.458 406 E N -0.427 119.855 120.200 0.137 0.000 2.058 406 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 406 E C 1.857 178.598 176.600 0.234 0.000 0.997 406 E CA 1.293 57.784 56.400 0.152 0.000 0.801 406 E CB -0.481 29.304 29.700 0.142 0.000 0.746 406 E HN 0.552 nan 8.360 nan 0.000 0.450 407 W N 1.666 123.018 121.300 0.086 0.000 2.402 407 W HA -0.149 4.510 4.660 -0.000 0.000 0.286 407 W C 2.205 178.796 176.519 0.121 0.000 1.221 407 W CA 1.156 58.565 57.345 0.106 0.000 1.257 407 W CB -0.072 29.469 29.460 0.134 0.000 1.120 407 W HN 0.093 nan 8.180 nan 0.000 0.551 408 R N 0.558 121.162 120.500 0.173 0.000 2.115 408 R HA -0.135 4.205 4.340 -0.000 0.000 0.230 408 R C 2.264 178.620 176.300 0.093 0.000 1.111 408 R CA 1.261 57.429 56.100 0.114 0.000 0.976 408 R CB -0.565 29.827 30.300 0.154 0.000 0.870 408 R HN 0.255 nan 8.270 nan 0.000 0.445 409 L N 0.272 121.527 121.223 0.054 0.000 2.418 409 L HA -0.008 4.332 4.340 -0.000 0.000 0.218 409 L C 1.999 178.868 176.870 -0.001 0.000 1.125 409 L CA 0.693 55.552 54.840 0.031 0.000 0.835 409 L CB -0.142 41.924 42.059 0.013 0.000 0.953 409 L HN 0.105 nan 8.230 nan 0.000 0.454 410 K N 0.450 120.826 120.400 -0.040 0.000 2.211 410 K HA -0.184 4.136 4.320 -0.000 0.000 0.204 410 K C 2.012 178.573 176.600 -0.065 0.000 1.047 410 K CA 1.224 57.477 56.287 -0.057 0.000 0.935 410 K CB -0.111 32.325 32.500 -0.107 0.000 0.728 410 K HN 0.271 nan 8.250 nan 0.000 0.452 411 I N 1.168 121.687 120.570 -0.085 0.000 2.493 411 I HA -0.134 4.036 4.170 -0.000 0.000 0.254 411 I C 0.253 176.333 176.117 -0.062 0.000 1.160 411 I CA 0.408 61.664 61.300 -0.074 0.000 1.445 411 I CB 0.260 38.185 38.000 -0.126 0.000 1.086 411 I HN 0.008 nan 8.210 nan 0.000 0.433 412 I N 2.793 123.337 120.570 -0.044 0.000 2.769 412 I HA -0.025 4.144 4.170 -0.000 0.000 0.285 412 I C 1.399 177.470 176.117 -0.076 0.000 1.173 412 I CA 1.311 62.570 61.300 -0.069 0.000 1.389 412 I CB -0.991 36.979 38.000 -0.051 0.000 1.404 412 I HN 0.544 nan 8.210 nan 0.000 0.544 413 G N 5.381 114.115 108.800 -0.110 0.000 2.132 413 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.234 413 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.234 413 G C 0.135 174.996 174.900 -0.065 0.000 0.989 413 G CA 0.237 45.279 45.100 -0.098 0.000 0.676 413 G HN 0.664 nan 8.290 nan 0.000 0.522 414 D N -0.091 120.278 120.400 -0.051 0.000 3.256 414 D HA 0.279 4.919 4.640 -0.000 0.000 0.332 414 D C -2.293 174.026 176.300 0.031 0.000 1.327 414 D CA -0.685 53.309 54.000 -0.010 0.000 0.735 414 D CB 1.242 42.044 40.800 0.002 0.000 1.280 414 D HN 0.272 nan 8.370 nan 0.000 0.572 415 P HA 0.107 nan 4.420 nan 0.000 0.275 415 P C 0.425 177.872 177.300 0.245 0.000 1.228 415 P CA -0.074 63.164 63.100 0.231 0.000 0.786 415 P CB 1.458 33.295 31.700 0.229 0.000 0.927 416 C N 2.121 121.567 119.300 0.244 0.000 4.365 416 C HA -0.101 4.359 4.460 -0.000 0.000 0.299 416 C C 1.286 176.270 174.990 -0.009 0.000 1.409 416 C CA 1.111 60.155 59.018 0.044 0.000 2.007 416 C CB -2.222 25.538 27.740 0.033 0.000 1.264 416 C HN 0.857 nan 8.230 nan 0.000 0.777 417 G N -0.398 108.394 108.800 -0.013 0.000 2.890 417 G HA2 0.503 4.463 3.960 -0.000 0.000 0.199 417 G HA3 0.503 4.463 3.960 -0.000 0.000 0.199 417 G C 1.174 175.993 174.900 -0.135 0.000 1.729 417 G CA 0.693 45.746 45.100 -0.077 0.000 0.767 417 G HN 1.025 nan 8.290 nan 0.000 0.804 418 G N 0.931 109.689 108.800 -0.070 0.000 2.418 418 G HA2 -0.124 3.835 3.960 -0.000 0.000 0.217 418 G HA3 -0.124 3.835 3.960 -0.000 0.000 0.217 418 G C 1.549 176.475 174.900 0.043 0.000 1.158 418 G CA 1.768 46.864 45.100 -0.007 0.000 0.771 418 G HN 0.579 nan 8.290 nan 0.000 0.545 419 E N 0.770 120.989 120.200 0.032 0.000 2.110 419 E HA -0.149 4.200 4.350 -0.000 0.000 0.193 419 E C 2.411 179.008 176.600 -0.005 0.000 0.988 419 E CA 1.124 57.557 56.400 0.056 0.000 0.804 419 E CB -0.648 29.104 29.700 0.086 0.000 0.745 419 E HN 0.371 nan 8.360 nan 0.000 0.458 420 L N 1.624 122.811 121.223 -0.059 0.000 2.093 420 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 420 L C 2.246 179.088 176.870 -0.047 0.000 1.085 420 L CA 1.795 56.583 54.840 -0.088 0.000 0.755 420 L CB -0.382 41.603 42.059 -0.122 0.000 0.904 420 L HN -0.060 nan 8.230 nan 0.000 0.435 421 E N 0.012 120.161 120.200 -0.085 0.000 2.077 421 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 421 E C 1.873 178.544 176.600 0.118 0.000 0.989 421 E CA 1.346 57.710 56.400 -0.060 0.000 0.800 421 E CB -0.431 29.070 29.700 -0.331 0.000 0.746 421 E HN 0.582 nan 8.360 nan 0.000 0.452 422 D N 0.615 121.128 120.400 0.188 0.000 2.092 422 D HA -0.127 4.513 4.640 -0.000 0.000 0.193 422 D C 2.190 178.608 176.300 0.196 0.000 0.994 422 D CA 0.910 55.063 54.000 0.254 0.000 0.828 422 D CB -0.429 40.572 40.800 0.335 0.000 0.963 422 D HN 0.015 nan 8.370 nan 0.000 0.450 423 V N 1.052 121.054 119.914 0.147 0.000 2.332 423 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 423 V C 2.511 178.713 176.094 0.180 0.000 1.055 423 V CA 1.842 64.228 62.300 0.142 0.000 1.038 423 V CB -0.527 31.323 31.823 0.046 0.000 0.651 423 V HN 0.143 nan 8.190 nan 0.000 0.450 424 S N 0.257 116.036 115.700 0.131 0.000 2.355 424 S HA -0.125 4.345 4.470 -0.000 0.000 0.222 424 S C 2.257 176.913 174.600 0.093 0.000 1.031 424 S CA 1.277 59.530 58.200 0.088 0.000 0.993 424 S CB -0.548 62.664 63.200 0.019 0.000 0.859 424 S HN 0.651 nan 8.310 nan 0.000 0.453 425 A N 1.639 124.536 122.820 0.129 0.000 1.948 425 A HA 0.001 4.321 4.320 -0.000 0.000 0.220 425 A C 2.312 180.011 177.584 0.192 0.000 1.177 425 A CA 1.814 53.944 52.037 0.155 0.000 0.636 425 A CB -0.992 18.116 19.000 0.180 0.000 0.815 425 A HN 0.528 nan 8.150 nan 0.000 0.449 426 A N -0.366 122.571 122.820 0.195 0.000 1.929 426 A HA 0.255 4.575 4.320 -0.000 0.000 0.216 426 A C 2.492 180.263 177.584 0.311 0.000 1.176 426 A CA 1.787 53.969 52.037 0.241 0.000 0.628 426 A CB -0.956 18.156 19.000 0.186 0.000 0.816 426 A HN 1.012 nan 8.150 nan 0.000 0.444 427 A N 0.168 123.130 122.820 0.235 0.000 1.865 427 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 427 A C 2.232 179.873 177.584 0.094 0.000 1.191 427 A CA 1.743 53.881 52.037 0.169 0.000 0.623 427 A CB -0.545 18.440 19.000 -0.025 0.000 0.826 427 A HN 0.527 nan 8.150 nan 0.000 0.444 428 R N -2.130 118.408 120.500 0.064 0.000 2.105 428 R HA -0.221 4.119 4.340 -0.000 0.000 0.239 428 R C 2.026 178.382 176.300 0.094 0.000 1.135 428 R CA 1.761 57.886 56.100 0.043 0.000 0.967 428 R CB -0.428 29.899 30.300 0.044 0.000 0.861 428 R HN 0.833 nan 8.270 nan 0.000 0.442 429 W N 1.186 122.497 121.300 0.019 0.000 2.363 429 W HA -0.142 4.518 4.660 -0.000 0.000 0.296 429 W C 2.123 178.656 176.519 0.023 0.000 1.212 429 W CA 1.429 58.789 57.345 0.024 0.000 1.260 429 W CB -0.262 29.218 29.460 0.033 0.000 1.131 429 W HN 0.085 nan 8.180 nan 0.000 0.530 430 A N 1.014 123.873 122.820 0.065 0.000 1.892 430 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 430 A C 2.124 179.511 177.584 -0.329 0.000 1.188 430 A CA 2.213 54.125 52.037 -0.209 0.000 0.631 430 A CB -1.059 18.020 19.000 0.131 0.000 0.822 430 A HN 0.458 nan 8.150 nan 0.000 0.447 431 R N -0.546 119.849 120.500 -0.175 0.000 2.066 431 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 431 R C 2.192 178.373 176.300 -0.200 0.000 1.131 431 R CA 1.610 57.620 56.100 -0.150 0.000 0.955 431 R CB -0.261 29.981 30.300 -0.096 0.000 0.851 431 R HN 0.700 nan 8.270 nan 0.000 0.432 432 E N -0.040 120.031 120.200 -0.214 0.000 2.110 432 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 432 E C 1.859 178.292 176.600 -0.279 0.000 0.988 432 E CA 1.580 57.865 56.400 -0.193 0.000 0.804 432 E CB -0.013 29.619 29.700 -0.114 0.000 0.745 432 E HN 0.407 nan 8.360 nan 0.000 0.458 433 S N -0.485 114.892 115.700 -0.537 0.000 2.474 433 S HA -0.004 4.466 4.470 -0.000 0.000 0.235 433 S C 1.680 176.079 174.600 -0.335 0.000 0.997 433 S CA 0.684 58.574 58.200 -0.517 0.000 0.949 433 S CB 0.050 62.685 63.200 -0.941 0.000 0.766 433 S HN 0.405 nan 8.310 nan 0.000 0.517 434 G N 0.424 109.043 108.800 -0.302 0.000 2.132 434 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.234 434 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.234 434 G C 0.342 175.135 174.900 -0.178 0.000 0.989 434 G CA 0.336 45.325 45.100 -0.185 0.000 0.676 434 G HN 0.561 nan 8.290 nan 0.000 0.522 435 L N 0.778 121.841 121.223 -0.266 0.000 2.023 435 L HA 0.674 5.014 4.340 -0.000 0.000 0.205 435 L C 1.981 178.815 176.870 -0.061 0.000 1.073 435 L CA 2.542 57.250 54.840 -0.221 0.000 0.745 435 L CB -0.556 41.329 42.059 -0.290 0.000 0.900 435 L HN 0.885 nan 8.230 nan 0.000 0.435 436 A N -1.359 121.428 122.820 -0.056 0.000 2.328 436 A HA 0.475 4.795 4.320 -0.000 0.000 0.284 436 A C 1.081 178.678 177.584 0.022 0.000 1.160 436 A CA 0.258 52.322 52.037 0.046 0.000 0.818 436 A CB 0.432 19.455 19.000 0.039 0.000 1.087 436 A HN 0.520 nan 8.150 nan 0.000 0.504 437 S N 1.996 117.732 115.700 0.060 0.000 2.452 437 S HA 0.153 4.623 4.470 -0.000 0.000 0.225 437 S C 0.385 174.991 174.600 0.010 0.000 1.057 437 S CA 0.391 58.606 58.200 0.025 0.000 0.949 437 S CB -0.223 62.997 63.200 0.033 0.000 0.836 437 S HN 0.749 nan 8.310 nan 0.000 0.518 438 E N 0.266 120.490 120.200 0.039 0.000 2.277 438 E HA 0.709 5.059 4.350 -0.000 0.000 0.266 438 E C -1.651 174.917 176.600 -0.054 0.000 0.901 438 E CA -0.701 55.668 56.400 -0.052 0.000 0.782 438 E CB 2.176 31.845 29.700 -0.051 0.000 1.228 438 E HN 0.178 nan 8.360 nan 0.000 0.424 439 L N 2.370 123.470 121.223 -0.205 0.000 2.362 439 L HA 0.524 4.864 4.340 -0.000 0.000 0.275 439 L C -1.354 175.460 176.870 -0.094 0.000 0.998 439 L CA -0.702 54.137 54.840 -0.002 0.000 0.820 439 L CB 0.799 42.892 42.059 0.057 0.000 1.270 439 L HN 0.545 nan 8.230 nan 0.000 0.415 440 Y N 3.007 123.497 120.300 0.316 0.000 2.570 440 Y HA 0.640 5.190 4.550 0.000 0.000 0.345 440 Y C -0.337 175.462 175.900 -0.167 0.000 1.014 440 Y CA -0.777 57.405 58.100 0.137 0.000 1.063 440 Y CB 2.329 40.804 38.460 0.025 0.000 1.272 440 Y HN 0.344 nan 8.280 nan 0.000 0.477 441 I N 3.127 123.496 120.570 -0.334 0.000 2.689 441 I HA 0.660 4.830 4.170 -0.000 0.000 0.299 441 I C -1.438 174.488 176.117 -0.318 0.000 1.059 441 I CA -1.057 59.868 61.300 -0.626 0.000 1.055 441 I CB 1.793 38.964 38.000 -1.382 0.000 1.243 441 I HN 0.839 nan 8.210 nan 0.000 0.425 442 M N 6.711 126.141 119.600 -0.283 0.000 2.333 442 M HA 0.640 5.119 4.480 -0.000 0.000 0.286 442 M C -1.744 174.387 176.300 -0.282 0.000 1.113 442 M CA -0.187 54.951 55.300 -0.269 0.000 0.959 442 M CB 2.033 34.515 32.600 -0.197 0.000 1.776 442 M HN 0.711 nan 8.290 nan 0.000 0.492 443 G N 2.635 111.192 108.800 -0.405 0.000 2.632 443 G HA2 0.608 4.567 3.960 -0.000 0.000 0.292 443 G HA3 0.608 4.567 3.960 -0.000 0.000 0.292 443 G C -2.660 171.938 174.900 -0.504 0.000 1.465 443 G CA -0.473 44.428 45.100 -0.331 0.000 0.824 443 G HN 0.644 nan 8.290 nan 0.000 0.509 444 Y N 0.327 120.527 120.300 -0.166 0.000 2.587 444 Y HA 0.737 5.287 4.550 0.000 0.000 0.337 444 Y C 1.296 177.161 175.900 -0.059 0.000 1.065 444 Y CA 0.515 58.534 58.100 -0.135 0.000 1.126 444 Y CB 2.106 40.448 38.460 -0.197 0.000 1.279 444 Y HN 1.149 nan 8.280 nan 0.000 0.489 445 S N 0.278 116.043 115.700 0.109 0.000 3.938 445 S HA -0.439 4.031 4.470 -0.000 0.000 0.624 445 S C 1.091 175.761 174.600 0.116 0.000 2.186 445 S CA 1.673 59.928 58.200 0.091 0.000 4.144 445 S CB -1.535 61.735 63.200 0.117 0.000 0.230 445 S HN 0.850 nan 8.310 nan 0.000 0.755 446 Y N 2.204 122.555 120.300 0.085 0.000 2.315 446 Y HA 0.033 4.582 4.550 -0.000 0.000 0.288 446 Y C 2.343 178.288 175.900 0.075 0.000 1.154 446 Y CA 2.386 60.559 58.100 0.122 0.000 1.229 446 Y CB -0.961 37.599 38.460 0.167 0.000 0.980 446 Y HN 0.562 nan 8.280 nan 0.000 0.540 447 G N -1.040 107.831 108.800 0.118 0.000 2.422 447 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 447 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 447 G C 1.908 176.714 174.900 -0.158 0.000 1.140 447 G CA 0.707 45.781 45.100 -0.043 0.000 0.775 447 G HN 0.551 nan 8.290 nan 0.000 0.545 448 G N -0.041 108.678 108.800 -0.136 0.000 2.404 448 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.215 448 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.215 448 G C 1.603 176.399 174.900 -0.174 0.000 1.174 448 G CA 1.037 46.025 45.100 -0.186 0.000 0.780 448 G HN 0.385 nan 8.290 nan 0.000 0.537 449 Y N 0.930 121.042 120.300 -0.312 0.000 2.114 449 Y HA -0.202 4.348 4.550 -0.000 0.000 0.282 449 Y C 2.801 178.473 175.900 -0.381 0.000 1.165 449 Y CA 1.940 59.800 58.100 -0.400 0.000 1.148 449 Y CB -0.099 38.004 38.460 -0.595 0.000 0.972 449 Y HN 0.081 nan 8.280 nan 0.000 0.504 450 M N -0.847 118.495 119.600 -0.429 0.000 2.117 450 M HA -0.208 4.272 4.480 -0.000 0.000 0.262 450 M C 2.158 178.242 176.300 -0.359 0.000 1.065 450 M CA 1.964 56.996 55.300 -0.446 0.000 1.114 450 M CB -1.424 30.959 32.600 -0.362 0.000 1.361 450 M HN 0.257 nan 8.290 nan 0.000 0.408 451 T N 1.470 115.835 114.554 -0.315 0.000 2.720 451 T HA -0.093 4.256 4.350 -0.000 0.000 0.268 451 T C 1.981 176.533 174.700 -0.246 0.000 1.037 451 T CA 1.050 62.977 62.100 -0.289 0.000 1.144 451 T CB -0.171 68.526 68.868 -0.285 0.000 0.864 451 T HN 0.299 nan 8.240 nan 0.000 0.444 452 L N 0.160 121.221 121.223 -0.270 0.000 2.093 452 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 452 L C 2.869 179.585 176.870 -0.258 0.000 1.085 452 L CA 0.963 55.659 54.840 -0.240 0.000 0.755 452 L CB -0.611 41.306 42.059 -0.237 0.000 0.904 452 L HN 0.404 nan 8.230 nan 0.000 0.435 453 C N -0.329 118.737 119.300 -0.390 0.000 2.446 453 C HA -0.097 4.363 4.460 -0.000 0.000 0.277 453 C C 3.126 177.996 174.990 -0.201 0.000 1.275 453 C CA 0.686 59.494 59.018 -0.350 0.000 1.727 453 C CB -0.915 26.512 27.740 -0.521 0.000 2.010 453 C HN 0.608 nan 8.230 nan 0.000 0.486 454 A N 0.119 122.844 122.820 -0.159 0.000 1.898 454 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 454 A C 1.867 179.465 177.584 0.022 0.000 1.181 454 A CA 1.456 53.484 52.037 -0.015 0.000 0.620 454 A CB -0.526 18.536 19.000 0.104 0.000 0.819 454 A HN 0.447 nan 8.150 nan 0.000 0.442 455 L N 0.296 121.511 121.223 -0.013 0.000 2.291 455 L HA -0.071 4.268 4.340 -0.000 0.000 0.214 455 L C 2.709 179.568 176.870 -0.017 0.000 1.120 455 L CA 2.226 57.072 54.840 0.011 0.000 0.799 455 L CB -0.774 41.282 42.059 -0.006 0.000 0.925 455 L HN 0.708 nan 8.230 nan 0.000 0.446 456 T N -5.619 108.904 114.554 -0.052 0.000 2.988 456 T HA -0.014 4.336 4.350 -0.000 0.000 0.240 456 T C 1.690 176.339 174.700 -0.086 0.000 1.014 456 T CA 0.153 62.224 62.100 -0.048 0.000 1.155 456 T CB -0.110 68.743 68.868 -0.024 0.000 0.872 456 T HN -0.043 nan 8.240 nan 0.000 0.440 457 M N 1.306 120.833 119.600 -0.121 0.000 2.492 457 M HA 0.306 4.786 4.480 -0.000 0.000 0.262 457 M C 0.526 176.763 176.300 -0.106 0.000 1.090 457 M CA 0.939 56.148 55.300 -0.151 0.000 1.110 457 M CB -0.856 31.642 32.600 -0.171 0.000 1.407 457 M HN 0.327 nan 8.290 nan 0.000 0.470 458 K N 0.540 120.899 120.400 -0.068 0.000 3.262 458 K HA 0.262 4.582 4.320 -0.000 0.000 0.166 458 K C -2.577 174.004 176.600 -0.032 0.000 1.091 458 K CA -1.047 55.206 56.287 -0.057 0.000 0.798 458 K CB 1.531 33.995 32.500 -0.060 0.000 0.953 458 K HN 0.007 nan 8.250 nan 0.000 0.588 459 P HA 0.025 nan 4.420 nan 0.000 0.272 459 P C 0.830 178.109 177.300 -0.035 0.000 1.223 459 P CA 0.898 63.991 63.100 -0.012 0.000 0.784 459 P CB 1.052 32.745 31.700 -0.011 0.000 0.923 460 G N 0.670 109.452 108.800 -0.031 0.000 2.241 460 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.244 460 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.244 460 G C 0.548 175.379 174.900 -0.115 0.000 0.998 460 G CA 0.347 45.412 45.100 -0.058 0.000 0.621 460 G HN 0.578 nan 8.290 nan 0.000 0.519 461 L N -0.055 121.067 121.223 -0.169 0.000 2.084 461 L HA 0.588 4.928 4.340 -0.000 0.000 0.202 461 L C 0.937 177.498 176.870 -0.516 0.000 1.074 461 L CA 1.153 55.765 54.840 -0.379 0.000 0.757 461 L CB -0.306 41.447 42.059 -0.510 0.000 0.918 461 L HN 0.209 nan 8.230 nan 0.000 0.444 462 F N -0.470 119.445 119.950 -0.059 0.000 2.458 462 F HA 0.300 4.827 4.527 0.000 0.000 0.330 462 F C 1.451 177.196 175.800 -0.091 0.000 1.082 462 F CA -0.536 57.416 58.000 -0.081 0.000 0.995 462 F CB 1.326 40.304 39.000 -0.036 0.000 1.170 462 F HN -0.182 nan 8.300 nan 0.000 0.478 463 K N 1.714 122.122 120.400 0.014 0.000 2.116 463 K HA 0.327 4.646 4.320 -0.000 0.000 0.203 463 K C 0.076 176.750 176.600 0.125 0.000 1.052 463 K CA 1.023 57.287 56.287 -0.038 0.000 0.952 463 K CB 0.217 32.555 32.500 -0.271 0.000 0.729 463 K HN 0.739 nan 8.250 nan 0.000 0.446 464 A N -0.702 122.269 122.820 0.252 0.000 2.599 464 A HA 0.662 4.982 4.320 -0.000 0.000 0.290 464 A C -1.021 176.759 177.584 0.326 0.000 1.101 464 A CA -0.450 51.800 52.037 0.354 0.000 0.674 464 A CB 1.584 20.840 19.000 0.427 0.000 1.277 464 A HN 0.235 nan 8.150 nan 0.000 0.419 465 G N -0.968 108.002 108.800 0.283 0.000 2.659 465 G HA2 0.618 4.578 3.960 -0.000 0.000 0.296 465 G HA3 0.618 4.578 3.960 -0.000 0.000 0.296 465 G C -1.756 173.120 174.900 -0.040 0.000 1.369 465 G CA -0.462 44.675 45.100 0.063 0.000 0.937 465 G HN 1.184 nan 8.290 nan 0.000 0.485 466 V N 0.668 120.485 119.914 -0.160 0.000 2.409 466 V HA 0.728 4.848 4.120 -0.000 0.000 0.291 466 V C 0.201 176.091 176.094 -0.341 0.000 1.020 466 V CA -0.666 61.461 62.300 -0.290 0.000 0.848 466 V CB 1.323 32.991 31.823 -0.258 0.000 0.990 466 V HN 1.186 nan 8.190 nan 0.000 0.430 467 A N 3.835 126.465 122.820 -0.315 0.000 2.323 467 A HA 0.830 5.150 4.320 -0.000 0.000 0.305 467 A C 0.205 177.637 177.584 -0.255 0.000 1.275 467 A CA -0.172 51.692 52.037 -0.289 0.000 0.804 467 A CB 0.920 19.796 19.000 -0.207 0.000 1.152 467 A HN 1.005 nan 8.150 nan 0.000 0.487 468 G N 0.770 109.342 108.800 -0.381 0.000 2.415 468 G HA2 0.648 4.608 3.960 -0.000 0.000 0.327 468 G HA3 0.648 4.608 3.960 -0.000 0.000 0.327 468 G C 0.679 175.574 174.900 -0.008 0.000 1.182 468 G CA 0.071 45.065 45.100 -0.178 0.000 0.924 468 G HN 2.265 nan 8.290 nan 0.000 0.470 469 A N 0.849 123.669 122.820 -0.000 0.000 2.748 469 A HA -0.090 4.230 4.320 -0.000 0.000 0.297 469 A C 1.272 178.818 177.584 -0.063 0.000 1.508 469 A CA 1.121 53.054 52.037 -0.174 0.000 0.799 469 A CB -2.166 16.787 19.000 -0.079 0.000 1.011 469 A HN 2.338 nan 8.150 nan 0.000 0.500 470 S N -1.107 114.621 115.700 0.046 0.000 2.592 470 S HA 0.588 5.058 4.470 -0.000 0.000 0.271 470 S C 0.264 174.867 174.600 0.004 0.000 1.326 470 S CA -0.204 58.000 58.200 0.008 0.000 1.024 470 S CB 1.596 64.777 63.200 -0.032 0.000 0.921 470 S HN 1.265 nan 8.310 nan 0.000 0.527 471 V N 3.189 123.039 119.914 -0.106 0.000 2.649 471 V HA 0.234 4.354 4.120 -0.000 0.000 0.292 471 V C 0.822 176.782 176.094 -0.224 0.000 1.055 471 V CA -0.272 61.845 62.300 -0.306 0.000 1.023 471 V CB 1.149 32.450 31.823 -0.871 0.000 0.992 471 V HN 0.944 nan 8.190 nan 0.000 0.480 472 V N 1.571 121.326 119.914 -0.265 0.000 3.054 472 V HA 0.275 4.395 4.120 -0.000 0.000 0.227 472 V C -0.044 175.923 176.094 -0.212 0.000 1.252 472 V CA 0.467 62.656 62.300 -0.186 0.000 1.279 472 V CB 0.632 32.365 31.823 -0.150 0.000 1.118 472 V HN 0.906 nan 8.190 nan 0.000 0.504 473 D N -1.590 118.680 120.400 -0.217 0.000 2.620 473 D HA 0.199 4.839 4.640 -0.000 0.000 0.252 473 D C 0.103 176.335 176.300 -0.114 0.000 1.207 473 D CA -0.618 53.296 54.000 -0.144 0.000 0.884 473 D CB 1.265 42.027 40.800 -0.063 0.000 1.262 473 D HN 0.173 nan 8.370 nan 0.000 0.552 474 W N 2.471 123.774 121.300 0.005 0.000 2.358 474 W HA -0.052 4.608 4.660 -0.000 0.000 0.303 474 W C 2.503 179.017 176.519 -0.007 0.000 1.208 474 W CA 1.375 58.705 57.345 -0.024 0.000 1.274 474 W CB -0.168 29.266 29.460 -0.043 0.000 1.138 474 W HN 0.665 nan 8.180 nan 0.000 0.515 475 E N 0.937 121.274 120.200 0.227 0.000 2.031 475 E HA -0.276 4.074 4.350 -0.000 0.000 0.193 475 E C 1.674 178.361 176.600 0.144 0.000 0.994 475 E CA 1.768 58.255 56.400 0.146 0.000 0.800 475 E CB -1.083 28.672 29.700 0.092 0.000 0.752 475 E HN 0.565 nan 8.360 nan 0.000 0.447 476 E N -0.817 119.441 120.200 0.097 0.000 2.077 476 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 476 E C 2.263 178.922 176.600 0.097 0.000 0.989 476 E CA 1.387 57.832 56.400 0.074 0.000 0.800 476 E CB -0.193 29.524 29.700 0.029 0.000 0.746 476 E HN 0.557 nan 8.360 nan 0.000 0.452 477 M N -0.317 119.347 119.600 0.106 0.000 2.213 477 M HA -0.191 4.289 4.480 -0.000 0.000 0.263 477 M C 1.859 178.253 176.300 0.157 0.000 1.062 477 M CA 1.272 56.643 55.300 0.119 0.000 1.105 477 M CB -0.148 32.510 32.600 0.097 0.000 1.385 477 M HN 0.230 nan 8.290 nan 0.000 0.417 478 Y N 1.418 121.736 120.300 0.031 0.000 2.036 478 Y HA -0.289 4.261 4.550 -0.000 0.000 0.273 478 Y C 2.588 178.505 175.900 0.028 0.000 1.135 478 Y CA 2.864 60.967 58.100 0.007 0.000 1.106 478 Y CB -1.140 37.327 38.460 0.012 0.000 0.976 478 Y HN 0.404 nan 8.280 nan 0.000 0.483 479 E N 0.029 120.273 120.200 0.075 0.000 2.147 479 E HA -0.194 4.156 4.350 -0.000 0.000 0.199 479 E C 1.759 178.334 176.600 -0.042 0.000 1.005 479 E CA 2.332 58.716 56.400 -0.026 0.000 0.810 479 E CB -1.561 28.164 29.700 0.041 0.000 0.736 479 E HN 0.651 nan 8.360 nan 0.000 0.460 480 L N 0.186 121.413 121.223 0.008 0.000 2.783 480 L HA 0.664 5.004 4.340 -0.000 0.000 0.236 480 L C 1.115 178.012 176.870 0.045 0.000 1.225 480 L CA 0.537 55.390 54.840 0.021 0.000 1.026 480 L CB -0.648 41.435 42.059 0.040 0.000 1.314 480 L HN 0.215 nan 8.230 nan 0.000 0.489 481 S N -0.752 114.955 115.700 0.012 0.000 2.638 481 S HA 0.605 5.074 4.470 -0.000 0.000 0.302 481 S C -0.607 174.007 174.600 0.022 0.000 1.096 481 S CA -0.255 57.996 58.200 0.084 0.000 0.953 481 S CB 1.806 65.100 63.200 0.158 0.000 1.107 481 S HN 0.785 nan 8.310 nan 0.000 0.503 482 D N 0.389 120.852 120.400 0.105 0.000 2.354 482 D HA 0.557 5.197 4.640 -0.000 0.000 0.247 482 D C 1.136 177.477 176.300 0.068 0.000 1.138 482 D CA -0.368 53.673 54.000 0.069 0.000 0.958 482 D CB 0.547 41.398 40.800 0.086 0.000 1.144 482 D HN 0.398 nan 8.370 nan 0.000 0.458 483 A N 1.380 124.227 122.820 0.046 0.000 1.927 483 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 483 A C 2.193 179.849 177.584 0.120 0.000 1.185 483 A CA 2.625 54.696 52.037 0.057 0.000 0.639 483 A CB -1.481 17.550 19.000 0.051 0.000 0.820 483 A HN 0.743 nan 8.150 nan 0.000 0.451 484 A N -1.673 121.235 122.820 0.146 0.000 1.872 484 A HA 0.003 4.323 4.320 -0.000 0.000 0.214 484 A C 2.169 179.928 177.584 0.292 0.000 1.187 484 A CA 1.371 53.520 52.037 0.187 0.000 0.614 484 A CB -0.725 18.368 19.000 0.155 0.000 0.826 484 A HN 0.660 nan 8.150 nan 0.000 0.442 485 F N 0.824 120.839 119.950 0.108 0.000 2.171 485 F HA -0.180 4.347 4.527 0.000 0.000 0.300 485 F C 2.948 178.902 175.800 0.256 0.000 1.090 485 F CA 1.628 59.705 58.000 0.128 0.000 1.293 485 F CB -0.064 38.963 39.000 0.044 0.000 1.013 485 F HN 0.320 nan 8.300 nan 0.000 0.486 486 R N 0.867 121.492 120.500 0.208 0.000 2.094 486 R HA -0.271 4.069 4.340 -0.000 0.000 0.239 486 R C 1.975 178.493 176.300 0.363 0.000 1.137 486 R CA 1.925 58.218 56.100 0.322 0.000 0.943 486 R CB -2.189 28.172 30.300 0.101 0.000 0.850 486 R HN 0.550 nan 8.270 nan 0.000 0.433 487 N N -0.425 118.436 118.700 0.268 0.000 2.021 487 N HA -0.208 4.532 4.740 -0.000 0.000 0.198 487 N C 1.774 177.383 175.510 0.165 0.000 1.041 487 N CA 2.213 55.376 53.050 0.187 0.000 0.862 487 N CB -0.378 38.208 38.487 0.165 0.000 1.048 487 N HN 0.529 nan 8.380 nan 0.000 0.427 488 F N 1.693 121.691 119.950 0.080 0.000 2.063 488 F HA -0.247 4.280 4.527 0.000 0.000 0.298 488 F C 2.402 178.172 175.800 -0.051 0.000 1.105 488 F CA 1.746 59.790 58.000 0.074 0.000 1.215 488 F CB -0.350 38.783 39.000 0.221 0.000 0.972 488 F HN 0.076 nan 8.300 nan 0.000 0.483 489 I N 0.381 121.078 120.570 0.212 0.000 2.264 489 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 489 I C 2.790 178.758 176.117 -0.248 0.000 1.111 489 I CA 1.598 62.873 61.300 -0.042 0.000 1.382 489 I CB -1.216 36.745 38.000 -0.066 0.000 1.060 489 I HN 0.426 nan 8.210 nan 0.000 0.418 490 E N 0.758 120.832 120.200 -0.210 0.000 2.107 490 E HA -0.207 4.143 4.350 -0.000 0.000 0.191 490 E C 1.995 178.461 176.600 -0.224 0.000 0.982 490 E CA 0.969 57.215 56.400 -0.257 0.000 0.809 490 E CB -0.633 28.938 29.700 -0.215 0.000 0.756 490 E HN 0.614 nan 8.360 nan 0.000 0.459 491 Q N -0.783 118.894 119.800 -0.206 0.000 1.993 491 Q HA -0.072 4.268 4.340 -0.000 0.000 0.202 491 Q C 2.441 178.277 176.000 -0.273 0.000 0.984 491 Q CA 1.447 57.122 55.803 -0.214 0.000 0.837 491 Q CB -0.317 28.290 28.738 -0.217 0.000 0.902 491 Q HN 0.472 nan 8.270 nan 0.000 0.423 492 L N 0.802 121.788 121.223 -0.394 0.000 2.189 492 L HA -0.156 4.184 4.340 -0.000 0.000 0.214 492 L C 2.000 178.632 176.870 -0.396 0.000 1.097 492 L CA 2.475 57.063 54.840 -0.420 0.000 0.764 492 L CB -0.651 41.080 42.059 -0.547 0.000 0.900 492 L HN 0.396 nan 8.230 nan 0.000 0.436 493 T N -3.304 111.004 114.554 -0.409 0.000 3.092 493 T HA 0.453 4.803 4.350 -0.000 0.000 0.258 493 T C 1.430 175.987 174.700 -0.239 0.000 1.031 493 T CA 0.390 62.261 62.100 -0.381 0.000 0.925 493 T CB -0.289 68.300 68.868 -0.465 0.000 1.036 493 T HN 0.493 nan 8.240 nan 0.000 0.544 494 G N 0.713 109.394 108.800 -0.199 0.000 2.257 494 G HA2 0.172 4.132 3.960 -0.000 0.000 0.267 494 G HA3 0.172 4.132 3.960 -0.000 0.000 0.267 494 G C 1.448 176.270 174.900 -0.130 0.000 0.984 494 G CA 0.855 45.871 45.100 -0.139 0.000 0.626 494 G HN 2.062 nan 8.290 nan 0.000 0.540 495 G N -1.415 107.288 108.800 -0.162 0.000 2.325 495 G HA2 0.327 4.287 3.960 -0.000 0.000 0.248 495 G HA3 0.327 4.287 3.960 -0.000 0.000 0.248 495 G C 0.200 175.026 174.900 -0.122 0.000 1.108 495 G CA 1.237 46.246 45.100 -0.152 0.000 0.881 495 G HN 2.537 nan 8.290 nan 0.000 0.494 496 S N -2.533 113.092 115.700 -0.125 0.000 2.541 496 S HA 0.845 5.315 4.470 -0.000 0.000 0.280 496 S C 1.046 175.599 174.600 -0.079 0.000 1.112 496 S CA 0.545 58.694 58.200 -0.086 0.000 0.925 496 S CB 1.987 65.147 63.200 -0.066 0.000 1.067 496 S HN 1.675 nan 8.310 nan 0.000 0.479 497 R N 1.311 121.780 120.500 -0.052 0.000 2.090 497 R HA 0.196 4.536 4.340 -0.000 0.000 0.228 497 R C 2.412 178.705 176.300 -0.011 0.000 1.110 497 R CA 2.207 58.290 56.100 -0.030 0.000 0.973 497 R CB -2.197 28.093 30.300 -0.016 0.000 0.869 497 R HN 1.113 nan 8.270 nan 0.000 0.440 498 E N 0.168 120.361 120.200 -0.012 0.000 2.153 498 E HA 0.090 4.440 4.350 -0.000 0.000 0.194 498 E C 2.332 178.938 176.600 0.010 0.000 0.988 498 E CA 2.136 58.537 56.400 0.002 0.000 0.811 498 E CB -1.039 28.661 29.700 -0.001 0.000 0.746 498 E HN 0.953 nan 8.360 nan 0.000 0.466 499 I N -0.338 120.225 120.570 -0.012 0.000 2.400 499 I HA 0.211 4.381 4.170 -0.000 0.000 0.248 499 I C 2.775 178.897 176.117 0.008 0.000 1.109 499 I CA 1.720 63.011 61.300 -0.015 0.000 1.425 499 I CB -0.748 37.212 38.000 -0.067 0.000 1.094 499 I HN 0.440 nan 8.210 nan 0.000 0.425 500 M N 0.674 120.266 119.600 -0.014 0.000 2.159 500 M HA -0.150 4.330 4.480 -0.000 0.000 0.263 500 M C 2.781 179.192 176.300 0.184 0.000 1.063 500 M CA 2.528 57.876 55.300 0.079 0.000 1.110 500 M CB -0.464 32.158 32.600 0.035 0.000 1.374 500 M HN 0.639 nan 8.290 nan 0.000 0.411 501 R N 0.278 120.836 120.500 0.096 0.000 2.055 501 R HA -0.039 4.301 4.340 -0.000 0.000 0.226 501 R C 2.099 178.442 176.300 0.073 0.000 1.135 501 R CA 1.843 57.983 56.100 0.067 0.000 0.959 501 R CB -1.858 28.457 30.300 0.024 0.000 0.854 501 R HN 0.619 nan 8.270 nan 0.000 0.431 502 S N 0.083 115.841 115.700 0.098 0.000 2.481 502 S HA -0.037 4.433 4.470 -0.000 0.000 0.231 502 S C 1.484 176.237 174.600 0.255 0.000 0.996 502 S CA 0.793 59.088 58.200 0.159 0.000 0.942 502 S CB 0.051 63.328 63.200 0.128 0.000 0.768 502 S HN 0.560 nan 8.310 nan 0.000 0.520 503 R N 1.084 121.731 120.500 0.246 0.000 2.509 503 R HA 0.372 4.712 4.340 -0.000 0.000 0.300 503 R C -0.415 176.140 176.300 0.424 0.000 0.985 503 R CA -0.010 56.278 56.100 0.314 0.000 1.092 503 R CB 0.277 30.763 30.300 0.311 0.000 1.237 503 R HN 0.277 nan 8.270 nan 0.000 0.546 504 S N 3.030 118.915 115.700 0.308 0.000 2.452 504 S HA 0.208 4.678 4.470 -0.000 0.000 0.284 504 S C -1.712 172.923 174.600 0.058 0.000 1.171 504 S CA -1.110 57.186 58.200 0.160 0.000 1.064 504 S CB 1.699 64.945 63.200 0.075 0.000 0.967 504 S HN 0.021 nan 8.310 nan 0.000 0.484 505 P HA 0.068 nan 4.420 nan 0.000 0.233 505 P C 1.203 178.464 177.300 -0.065 0.000 1.167 505 P CA 0.221 63.309 63.100 -0.020 0.000 0.770 505 P CB 0.074 31.700 31.700 -0.123 0.000 0.837 506 I N 0.168 120.679 120.570 -0.098 0.000 2.335 506 I HA -0.207 3.963 4.170 -0.000 0.000 0.251 506 I C 1.192 177.229 176.117 -0.133 0.000 1.129 506 I CA 1.267 62.498 61.300 -0.115 0.000 1.402 506 I CB -0.091 37.841 38.000 -0.113 0.000 1.069 506 I HN -0.090 nan 8.210 nan 0.000 0.424 507 N N -0.120 118.461 118.700 -0.198 0.000 2.521 507 N HA -0.059 4.681 4.740 -0.000 0.000 0.188 507 N C 0.507 175.738 175.510 -0.464 0.000 1.146 507 N CA 0.693 53.550 53.050 -0.323 0.000 0.893 507 N CB -0.062 38.190 38.487 -0.391 0.000 0.975 507 N HN 0.496 nan 8.380 nan 0.000 0.451 508 H N -0.885 118.157 119.070 -0.046 0.000 2.767 508 H HA 0.237 4.793 4.556 -0.000 0.000 0.260 508 H C 1.523 176.819 175.328 -0.053 0.000 1.172 508 H CA -0.212 55.809 56.048 -0.046 0.000 1.048 508 H CB 0.411 30.143 29.762 -0.050 0.000 1.697 508 H HN -0.098 nan 8.280 nan 0.000 0.606 509 V N 0.918 120.839 119.914 0.012 0.000 2.546 509 V HA -0.275 3.845 4.120 -0.000 0.000 0.254 509 V C 2.396 178.489 176.094 -0.001 0.000 1.076 509 V CA 2.487 64.776 62.300 -0.018 0.000 1.087 509 V CB -0.864 30.924 31.823 -0.058 0.000 0.674 509 V HN 0.667 nan 8.190 nan 0.000 0.470 510 D N 0.107 120.516 120.400 0.014 0.000 2.178 510 D HA -0.183 4.457 4.640 -0.000 0.000 0.201 510 D C 2.220 178.530 176.300 0.017 0.000 0.980 510 D CA 1.692 55.701 54.000 0.015 0.000 0.842 510 D CB -0.440 40.372 40.800 0.019 0.000 0.948 510 D HN 0.588 nan 8.370 nan 0.000 0.472 511 R N -0.338 120.175 120.500 0.022 0.000 2.313 511 R HA 0.473 4.813 4.340 -0.000 0.000 0.199 511 R C 1.131 177.432 176.300 0.002 0.000 0.958 511 R CA 0.035 56.139 56.100 0.006 0.000 1.047 511 R CB -1.066 29.229 30.300 -0.009 0.000 0.955 511 R HN 0.619 nan 8.270 nan 0.000 0.481 512 I N 1.115 121.690 120.570 0.007 0.000 2.648 512 I HA 0.236 4.406 4.170 -0.000 0.000 0.284 512 I C 1.452 177.582 176.117 0.022 0.000 1.153 512 I CA 0.796 62.104 61.300 0.012 0.000 1.426 512 I CB 1.629 39.635 38.000 0.010 0.000 1.381 512 I HN 0.371 nan 8.210 nan 0.000 0.571 513 K N 4.732 125.149 120.400 0.028 0.000 2.520 513 K HA 0.369 4.688 4.320 -0.000 0.000 0.206 513 K C 0.030 176.660 176.600 0.050 0.000 1.122 513 K CA -0.051 56.256 56.287 0.033 0.000 1.045 513 K CB 0.227 32.738 32.500 0.018 0.000 0.932 513 K HN 0.708 nan 8.250 nan 0.000 0.571 514 E N 0.540 120.781 120.200 0.068 0.000 2.312 514 E HA 0.471 4.821 4.350 -0.000 0.000 0.267 514 E C -2.887 173.796 176.600 0.138 0.000 0.894 514 E CA -2.248 54.211 56.400 0.098 0.000 0.773 514 E CB 2.100 31.866 29.700 0.109 0.000 1.241 514 E HN 0.028 nan 8.360 nan 0.000 0.432 515 P HA 0.106 nan 4.420 nan 0.000 0.268 515 P C -1.238 176.270 177.300 0.346 0.000 1.205 515 P CA -0.394 62.868 63.100 0.270 0.000 0.771 515 P CB 0.388 32.259 31.700 0.285 0.000 0.858 516 L N 2.606 123.991 121.223 0.270 0.000 2.362 516 L HA 0.781 5.121 4.340 -0.000 0.000 0.271 516 L C -1.036 175.761 176.870 -0.121 0.000 1.002 516 L CA -0.916 53.976 54.840 0.087 0.000 0.818 516 L CB 1.667 43.742 42.059 0.027 0.000 1.298 516 L HN 0.423 nan 8.230 nan 0.000 0.420 517 A N 5.863 128.363 122.820 -0.534 0.000 2.304 517 A HA 0.739 5.059 4.320 -0.000 0.000 0.314 517 A C -1.277 176.113 177.584 -0.322 0.000 1.187 517 A CA -0.484 51.140 52.037 -0.688 0.000 0.810 517 A CB 0.478 18.557 19.000 -1.535 0.000 1.183 517 A HN 0.702 nan 8.150 nan 0.000 0.487 518 L N 3.407 124.546 121.223 -0.141 0.000 2.296 518 L HA 0.552 4.891 4.340 -0.000 0.000 0.286 518 L C -0.696 176.190 176.870 0.025 0.000 1.023 518 L CA -0.219 54.574 54.840 -0.078 0.000 0.812 518 L CB 1.360 43.370 42.059 -0.081 0.000 1.223 518 L HN 0.577 nan 8.230 nan 0.000 0.421 519 I N 2.441 123.042 120.570 0.053 0.000 2.406 519 I HA 0.436 4.606 4.170 -0.000 0.000 0.290 519 I C -0.771 175.465 176.117 0.198 0.000 0.999 519 I CA -0.426 60.963 61.300 0.148 0.000 1.124 519 I CB 1.711 39.801 38.000 0.150 0.000 1.289 519 I HN 0.568 nan 8.210 nan 0.000 0.441 520 H N 6.406 125.512 119.070 0.059 0.000 3.046 520 H HA 0.461 5.017 4.556 -0.000 0.000 0.363 520 H C -2.814 172.534 175.328 0.034 0.000 1.203 520 H CA -1.259 54.809 56.048 0.032 0.000 1.169 520 H CB 3.049 32.812 29.762 0.000 0.000 1.851 520 H HN 0.229 nan 8.280 nan 0.000 0.546 521 P HA 0.054 nan 4.420 nan 0.000 0.278 521 P C -0.319 177.027 177.300 0.077 0.000 1.238 521 P CA -0.405 62.691 63.100 -0.007 0.000 0.794 521 P CB 1.704 33.352 31.700 -0.087 0.000 0.955 522 Q N 2.580 122.418 119.800 0.063 0.000 2.398 522 Q HA -0.052 4.288 4.340 -0.000 0.000 0.204 522 Q C 0.370 176.398 176.000 0.046 0.000 0.932 522 Q CA 1.376 57.220 55.803 0.068 0.000 0.916 522 Q CB -0.457 28.312 28.738 0.051 0.000 1.024 522 Q HN 0.434 nan 8.270 nan 0.000 0.504 523 N N -0.091 118.623 118.700 0.024 0.000 2.598 523 N HA 0.344 5.084 4.740 -0.000 0.000 0.295 523 N C -1.390 174.116 175.510 -0.007 0.000 1.729 523 N CA 0.075 53.132 53.050 0.011 0.000 0.877 523 N CB 0.446 38.938 38.487 0.009 0.000 1.405 523 N HN 0.238 nan 8.380 nan 0.000 0.491 524 A N 0.102 122.910 122.820 -0.019 0.000 2.304 524 A HA 0.560 4.880 4.320 -0.000 0.000 0.323 524 A C 1.198 178.762 177.584 -0.034 0.000 1.195 524 A CA -0.238 51.772 52.037 -0.045 0.000 0.826 524 A CB 0.888 19.837 19.000 -0.085 0.000 1.184 524 A HN 0.403 nan 8.150 nan 0.000 0.496 525 S N 2.285 117.962 115.700 -0.038 0.000 2.428 525 S HA -0.093 4.377 4.470 -0.000 0.000 0.230 525 S C 1.455 176.041 174.600 -0.024 0.000 1.014 525 S CA 1.061 59.251 58.200 -0.017 0.000 0.957 525 S CB -0.158 63.034 63.200 -0.014 0.000 0.784 525 S HN 0.728 nan 8.310 nan 0.000 0.499 526 R N 0.644 121.075 120.500 -0.114 0.000 2.334 526 R HA 0.216 4.556 4.340 -0.000 0.000 0.216 526 R C -0.397 175.821 176.300 -0.136 0.000 0.905 526 R CA 0.471 56.428 56.100 -0.238 0.000 1.064 526 R CB 0.488 30.438 30.300 -0.584 0.000 1.046 526 R HN 0.316 nan 8.270 nan 0.000 0.508 527 T N 2.232 116.740 114.554 -0.077 0.000 3.209 527 T HA 0.240 4.590 4.350 -0.000 0.000 0.366 527 T C -2.733 171.978 174.700 0.020 0.000 1.293 527 T CA -1.285 60.778 62.100 -0.061 0.000 1.417 527 T CB 1.868 70.616 68.868 -0.200 0.000 1.013 527 T HN -0.044 nan 8.240 nan 0.000 0.572 528 P HA 0.352 nan 4.420 nan 0.000 0.281 528 P C 0.675 178.088 177.300 0.188 0.000 1.249 528 P CA -0.752 62.419 63.100 0.117 0.000 0.810 528 P CB 1.485 33.241 31.700 0.093 0.000 1.008 529 L N 2.378 123.679 121.223 0.129 0.000 2.240 529 L HA 0.041 4.381 4.340 -0.000 0.000 0.211 529 L C 2.296 179.157 176.870 -0.014 0.000 1.106 529 L CA 1.669 56.559 54.840 0.083 0.000 0.793 529 L CB -0.816 41.287 42.059 0.074 0.000 0.927 529 L HN 0.321 nan 8.230 nan 0.000 0.446 530 K N -0.284 120.118 120.400 0.003 0.000 2.103 530 K HA -0.140 4.180 4.320 -0.000 0.000 0.207 530 K C -0.513 176.057 176.600 -0.049 0.000 1.048 530 K CA 1.639 57.914 56.287 -0.019 0.000 0.930 530 K CB -0.846 31.652 32.500 -0.003 0.000 0.716 530 K HN 0.317 nan 8.250 nan 0.000 0.444 531 P HA -0.134 nan 4.420 nan 0.000 0.217 531 P C 1.265 178.475 177.300 -0.151 0.000 1.151 531 P CA 0.837 63.887 63.100 -0.083 0.000 0.828 531 P CB 0.096 31.758 31.700 -0.062 0.000 0.788 532 L N -0.981 120.102 121.223 -0.234 0.000 2.046 532 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 532 L C 2.219 178.945 176.870 -0.239 0.000 1.077 532 L CA 1.583 56.213 54.840 -0.349 0.000 0.747 532 L CB -1.018 40.629 42.059 -0.687 0.000 0.896 532 L HN -0.130 nan 8.230 nan 0.000 0.432 533 L N -0.920 120.203 121.223 -0.167 0.000 2.043 533 L HA -0.294 4.046 4.340 -0.000 0.000 0.212 533 L C 2.774 179.578 176.870 -0.110 0.000 1.075 533 L CA 1.685 56.458 54.840 -0.111 0.000 0.752 533 L CB -0.589 41.430 42.059 -0.067 0.000 0.891 533 L HN 0.288 nan 8.230 nan 0.000 0.432 534 R N -0.025 120.410 120.500 -0.108 0.000 2.075 534 R HA -0.176 4.164 4.340 -0.000 0.000 0.232 534 R C 2.300 178.522 176.300 -0.130 0.000 1.126 534 R CA 1.131 57.173 56.100 -0.097 0.000 0.963 534 R CB -0.206 30.046 30.300 -0.079 0.000 0.858 534 R HN 0.181 nan 8.270 nan 0.000 0.435 535 L N 0.641 121.762 121.223 -0.171 0.000 2.042 535 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 535 L C 1.940 178.635 176.870 -0.291 0.000 1.076 535 L CA 1.829 56.540 54.840 -0.216 0.000 0.749 535 L CB -0.292 41.624 42.059 -0.239 0.000 0.893 535 L HN 0.234 nan 8.230 nan 0.000 0.432 536 M N -0.838 118.570 119.600 -0.320 0.000 2.159 536 M HA -0.108 4.372 4.480 -0.000 0.000 0.263 536 M C 2.180 178.358 176.300 -0.203 0.000 1.063 536 M CA 1.607 56.657 55.300 -0.416 0.000 1.110 536 M CB -1.088 31.375 32.600 -0.228 0.000 1.374 536 M HN 0.504 nan 8.290 nan 0.000 0.411 537 G N 0.159 108.889 108.800 -0.116 0.000 2.440 537 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.218 537 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.218 537 G C 1.440 176.304 174.900 -0.060 0.000 1.154 537 G CA 0.678 45.744 45.100 -0.056 0.000 0.767 537 G HN 0.361 nan 8.290 nan 0.000 0.552 538 E N 0.387 120.528 120.200 -0.097 0.000 2.077 538 E HA -0.044 4.306 4.350 -0.000 0.000 0.193 538 E C 2.726 179.277 176.600 -0.081 0.000 0.989 538 E CA 0.517 56.866 56.400 -0.084 0.000 0.800 538 E CB -0.290 29.351 29.700 -0.098 0.000 0.746 538 E HN 0.446 nan 8.360 nan 0.000 0.452 539 L N 0.414 121.548 121.223 -0.148 0.000 2.017 539 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 539 L C 2.591 179.497 176.870 0.060 0.000 1.073 539 L CA 0.668 55.439 54.840 -0.116 0.000 0.745 539 L CB -0.548 41.267 42.059 -0.407 0.000 0.894 539 L HN 0.130 nan 8.230 nan 0.000 0.432 540 L N 0.410 121.702 121.223 0.115 0.000 1.970 540 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 540 L C 2.601 179.517 176.870 0.076 0.000 1.071 540 L CA 2.183 57.122 54.840 0.166 0.000 0.751 540 L CB -0.857 41.292 42.059 0.151 0.000 0.889 540 L HN 0.165 nan 8.230 nan 0.000 0.432 541 A N -0.832 122.009 122.820 0.036 0.000 2.076 541 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 541 A C 2.138 179.732 177.584 0.017 0.000 1.160 541 A CA 1.642 53.690 52.037 0.018 0.000 0.653 541 A CB -0.552 18.449 19.000 0.001 0.000 0.801 541 A HN 0.580 nan 8.150 nan 0.000 0.455 542 R N -1.803 118.708 120.500 0.019 0.000 2.546 542 R HA 0.301 4.641 4.340 -0.000 0.000 0.320 542 R C 1.047 177.366 176.300 0.031 0.000 1.021 542 R CA 0.427 56.537 56.100 0.017 0.000 1.088 542 R CB 0.168 30.470 30.300 0.003 0.000 1.278 542 R HN 0.577 nan 8.270 nan 0.000 0.557 543 G N 1.010 109.838 108.800 0.047 0.000 2.162 543 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.260 543 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.260 543 G C -0.016 174.927 174.900 0.072 0.000 0.976 543 G CA 0.309 45.440 45.100 0.052 0.000 0.655 543 G HN 0.187 nan 8.290 nan 0.000 0.533 544 K N 0.607 121.066 120.400 0.098 0.000 2.249 544 K HA 0.646 4.966 4.320 -0.000 0.000 0.280 544 K C 0.770 177.506 176.600 0.227 0.000 1.033 544 K CA 0.052 56.415 56.287 0.128 0.000 0.946 544 K CB 1.522 34.078 32.500 0.093 0.000 1.005 544 K HN 1.018 nan 8.250 nan 0.000 0.469 545 T N 0.020 114.687 114.554 0.189 0.000 2.799 545 T HA 0.746 5.095 4.350 -0.000 0.000 0.286 545 T C -0.206 174.654 174.700 0.267 0.000 0.973 545 T CA -0.717 61.480 62.100 0.162 0.000 1.035 545 T CB -0.254 68.663 68.868 0.082 0.000 0.932 545 T HN 0.614 nan 8.240 nan 0.000 0.469 546 F N -0.050 119.923 119.950 0.040 0.000 2.711 546 F HA 0.814 5.341 4.527 -0.000 0.000 0.313 546 F C -0.960 174.847 175.800 0.012 0.000 1.141 546 F CA -1.268 56.747 58.000 0.025 0.000 0.941 546 F CB 1.305 40.286 39.000 -0.031 0.000 1.349 546 F HN 0.797 nan 8.300 nan 0.000 0.464 547 E N 1.685 121.949 120.200 0.106 0.000 2.359 547 E HA 0.886 5.236 4.350 -0.000 0.000 0.266 547 E C -1.794 174.818 176.600 0.020 0.000 0.920 547 E CA -1.578 54.796 56.400 -0.044 0.000 0.788 547 E CB 2.473 32.165 29.700 -0.012 0.000 1.279 547 E HN 1.159 nan 8.360 nan 0.000 0.438 548 A N 1.683 124.387 122.820 -0.194 0.000 2.520 548 A HA 0.535 4.855 4.320 -0.000 0.000 0.298 548 A C -1.583 175.689 177.584 -0.520 0.000 1.051 548 A CA -0.758 51.178 52.037 -0.168 0.000 0.690 548 A CB 1.414 20.434 19.000 0.034 0.000 1.281 548 A HN 0.669 nan 8.150 nan 0.000 0.402 549 H N 1.698 120.794 119.070 0.043 0.000 2.840 549 H HA 0.461 5.016 4.556 -0.000 0.000 0.340 549 H C -1.447 173.917 175.328 0.060 0.000 1.004 549 H CA -0.259 55.816 56.048 0.045 0.000 1.288 549 H CB 1.627 31.413 29.762 0.040 0.000 1.607 549 H HN 0.524 nan 8.280 nan 0.000 0.522 550 I N 5.020 125.669 120.570 0.131 0.000 2.382 550 I HA 0.232 4.402 4.170 -0.000 0.000 0.286 550 I C -0.598 175.579 176.117 0.100 0.000 1.002 550 I CA -0.605 60.764 61.300 0.115 0.000 1.135 550 I CB 1.026 39.071 38.000 0.074 0.000 1.288 550 I HN 0.311 nan 8.210 nan 0.000 0.448 551 I N 7.802 128.427 120.570 0.092 0.000 2.498 551 I HA 0.526 4.696 4.170 -0.000 0.000 0.290 551 I C -2.534 173.607 176.117 0.040 0.000 1.032 551 I CA -2.361 58.976 61.300 0.061 0.000 1.073 551 I CB 1.100 39.131 38.000 0.052 0.000 1.251 551 I HN 0.236 nan 8.210 nan 0.000 0.426 552 P HA 0.189 nan 4.420 nan 0.000 0.272 552 P C -0.739 176.565 177.300 0.006 0.000 1.223 552 P CA 0.061 63.171 63.100 0.017 0.000 0.784 552 P CB 0.326 32.036 31.700 0.015 0.000 0.923 553 D N 0.081 120.480 120.400 -0.002 0.000 2.708 553 D HA -0.223 4.417 4.640 -0.000 0.000 0.236 553 D C 1.232 177.523 176.300 -0.015 0.000 1.146 553 D CA 1.199 55.193 54.000 -0.010 0.000 0.662 553 D CB -1.621 39.175 40.800 -0.007 0.000 1.059 553 D HN 0.453 nan 8.370 nan 0.000 0.428 554 A N 0.188 122.996 122.820 -0.019 0.000 1.940 554 A HA 0.148 4.468 4.320 -0.000 0.000 0.221 554 A C 1.808 179.370 177.584 -0.036 0.000 1.190 554 A CA 2.777 54.798 52.037 -0.026 0.000 0.647 554 A CB -0.599 18.378 19.000 -0.037 0.000 0.821 554 A HN 1.673 nan 8.150 nan 0.000 0.457 555 G N -4.495 104.282 108.800 -0.039 0.000 2.741 555 G HA2 0.086 4.046 3.960 -0.000 0.000 0.222 555 G HA3 0.086 4.046 3.960 -0.000 0.000 0.222 555 G C 0.433 175.304 174.900 -0.047 0.000 1.364 555 G CA 1.355 46.432 45.100 -0.038 0.000 0.866 555 G HN 1.762 nan 8.290 nan 0.000 0.555 556 H N -1.314 117.731 119.070 -0.041 0.000 2.337 556 H HA 0.874 5.430 4.556 -0.000 0.000 0.311 556 H C 1.675 176.977 175.328 -0.044 0.000 1.054 556 H CA 2.727 58.748 56.048 -0.045 0.000 1.385 556 H CB -0.266 29.475 29.762 -0.036 0.000 1.437 556 H HN 2.243 nan 8.280 nan 0.000 0.553 557 A N -0.546 122.253 122.820 -0.035 0.000 2.437 557 A HA 0.661 4.981 4.320 -0.000 0.000 0.288 557 A C -1.398 176.161 177.584 -0.041 0.000 1.201 557 A CA -0.460 51.560 52.037 -0.028 0.000 0.795 557 A CB 1.045 20.029 19.000 -0.025 0.000 1.359 557 A HN 0.373 nan 8.150 nan 0.000 0.435 558 I N 1.622 122.161 120.570 -0.053 0.000 2.330 558 I HA 0.334 4.504 4.170 -0.000 0.000 0.286 558 I C 0.211 176.270 176.117 -0.098 0.000 1.025 558 I CA -0.034 61.202 61.300 -0.106 0.000 1.197 558 I CB 1.078 38.940 38.000 -0.231 0.000 1.358 558 I HN 0.576 nan 8.210 nan 0.000 0.467 559 N N 2.122 120.779 118.700 -0.071 0.000 2.419 559 N HA 0.076 4.816 4.740 -0.000 0.000 0.216 559 N C 0.563 176.048 175.510 -0.041 0.000 1.118 559 N CA 0.363 53.383 53.050 -0.050 0.000 0.850 559 N CB 0.650 39.122 38.487 -0.025 0.000 1.292 559 N HN 0.635 nan 8.380 nan 0.000 0.467 560 T N -1.547 112.981 114.554 -0.044 0.000 2.944 560 T HA 0.336 4.686 4.350 -0.000 0.000 0.284 560 T C 1.306 175.975 174.700 -0.052 0.000 1.010 560 T CA -0.558 61.521 62.100 -0.036 0.000 1.025 560 T CB 2.023 70.876 68.868 -0.024 0.000 1.079 560 T HN -0.217 nan 8.240 nan 0.000 0.516 561 M N 0.660 120.235 119.600 -0.042 0.000 2.149 561 M HA -0.046 4.434 4.480 -0.000 0.000 0.261 561 M C 2.171 178.439 176.300 -0.052 0.000 1.064 561 M CA 1.853 57.124 55.300 -0.048 0.000 1.102 561 M CB -1.072 31.511 32.600 -0.029 0.000 1.369 561 M HN 0.947 nan 8.290 nan 0.000 0.408 562 E N -0.352 119.824 120.200 -0.040 0.000 2.058 562 E HA -0.260 4.090 4.350 -0.000 0.000 0.194 562 E C 1.483 178.052 176.600 -0.051 0.000 0.997 562 E CA 1.866 58.244 56.400 -0.037 0.000 0.801 562 E CB -0.188 29.498 29.700 -0.025 0.000 0.746 562 E HN 0.542 nan 8.360 nan 0.000 0.450 563 D N 0.334 120.699 120.400 -0.058 0.000 2.104 563 D HA -0.199 4.441 4.640 -0.000 0.000 0.194 563 D C 1.895 178.134 176.300 -0.102 0.000 0.994 563 D CA 1.500 55.457 54.000 -0.072 0.000 0.830 563 D CB -0.419 40.334 40.800 -0.077 0.000 0.959 563 D HN 0.345 nan 8.370 nan 0.000 0.452 564 A N 0.772 123.516 122.820 -0.127 0.000 1.940 564 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 564 A C 2.567 180.061 177.584 -0.150 0.000 1.176 564 A CA 1.239 53.174 52.037 -0.169 0.000 0.631 564 A CB -0.682 18.214 19.000 -0.174 0.000 0.814 564 A HN 0.165 nan 8.150 nan 0.000 0.446 565 V N -0.164 119.681 119.914 -0.116 0.000 2.453 565 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 565 V C 2.392 178.420 176.094 -0.110 0.000 1.048 565 V CA 2.231 64.462 62.300 -0.115 0.000 1.049 565 V CB -0.567 31.216 31.823 -0.066 0.000 0.672 565 V HN 0.541 nan 8.190 nan 0.000 0.457 566 K N 0.055 120.408 120.400 -0.078 0.000 2.103 566 K HA 0.039 4.359 4.320 -0.000 0.000 0.204 566 K C 1.914 178.484 176.600 -0.050 0.000 1.052 566 K CA 1.865 58.120 56.287 -0.054 0.000 0.945 566 K CB 0.013 32.496 32.500 -0.029 0.000 0.722 566 K HN 0.657 nan 8.250 nan 0.000 0.443 567 I N -2.899 117.642 120.570 -0.049 0.000 4.592 567 I HA 0.116 4.286 4.170 -0.000 0.000 0.329 567 I C 1.358 177.525 176.117 0.083 0.000 1.309 567 I CA -0.034 61.280 61.300 0.023 0.000 1.243 567 I CB 0.399 38.407 38.000 0.013 0.000 1.241 567 I HN -0.073 nan 8.210 nan 0.000 0.434 568 L N 1.253 122.458 121.223 -0.031 0.000 2.347 568 L HA 0.367 4.707 4.340 -0.000 0.000 0.196 568 L C 1.970 178.773 176.870 -0.111 0.000 1.072 568 L CA 1.306 56.133 54.840 -0.022 0.000 0.817 568 L CB -0.667 41.228 42.059 -0.274 0.000 1.029 568 L HN 0.176 nan 8.230 nan 0.000 0.478 569 L N 0.581 121.652 121.223 -0.253 0.000 2.079 569 L HA -0.130 4.209 4.340 -0.000 0.000 0.210 569 L C -0.270 176.279 176.870 -0.533 0.000 1.081 569 L CA 1.379 55.903 54.840 -0.527 0.000 0.752 569 L CB -1.929 39.722 42.059 -0.679 0.000 0.896 569 L HN 0.281 nan 8.230 nan 0.000 0.433 570 P HA -0.167 nan 4.420 nan 0.000 0.216 570 P C 1.479 178.775 177.300 -0.007 0.000 1.150 570 P CA 1.774 64.746 63.100 -0.214 0.000 0.837 570 P CB 0.016 31.479 31.700 -0.395 0.000 0.786 571 A N -0.570 122.254 122.820 0.007 0.000 1.873 571 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 571 A C 2.342 179.988 177.584 0.102 0.000 1.186 571 A CA 1.841 53.920 52.037 0.070 0.000 0.616 571 A CB -1.676 17.383 19.000 0.099 0.000 0.823 571 A HN 0.023 nan 8.150 nan 0.000 0.442 572 V N -0.687 119.254 119.914 0.045 0.000 2.343 572 V HA -0.218 3.902 4.120 -0.000 0.000 0.247 572 V C 2.380 178.637 176.094 0.272 0.000 1.051 572 V CA 1.834 64.183 62.300 0.082 0.000 1.036 572 V CB -1.025 30.828 31.823 0.050 0.000 0.654 572 V HN 0.511 nan 8.190 nan 0.000 0.451 573 F N -0.264 119.772 119.950 0.144 0.000 2.134 573 F HA -0.124 4.403 4.527 -0.001 0.000 0.299 573 F C 2.258 178.176 175.800 0.197 0.000 1.097 573 F CA 1.078 59.197 58.000 0.199 0.000 1.264 573 F CB -1.339 37.828 39.000 0.278 0.000 1.001 573 F HN 0.239 nan 8.300 nan 0.000 0.479 574 F N 0.642 120.739 119.950 0.245 0.000 2.102 574 F HA -0.189 4.338 4.527 -0.000 0.000 0.298 574 F C 2.077 177.908 175.800 0.052 0.000 1.105 574 F CA 1.570 59.657 58.000 0.145 0.000 1.239 574 F CB -0.571 38.495 39.000 0.111 0.000 0.991 574 F HN -0.133 nan 8.300 nan 0.000 0.474 575 L N 0.147 121.388 121.223 0.030 0.000 2.046 575 L HA -0.179 4.160 4.340 -0.000 0.000 0.208 575 L C 2.831 179.645 176.870 -0.094 0.000 1.077 575 L CA 1.150 55.818 54.840 -0.286 0.000 0.747 575 L CB -1.263 40.449 42.059 -0.578 0.000 0.896 575 L HN 0.267 nan 8.230 nan 0.000 0.432 576 A N -0.714 122.173 122.820 0.111 0.000 1.972 576 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 576 A C 2.361 179.924 177.584 -0.037 0.000 1.169 576 A CA 2.241 54.339 52.037 0.101 0.000 0.635 576 A CB -0.744 18.290 19.000 0.056 0.000 0.810 576 A HN 0.374 nan 8.150 nan 0.000 0.446 577 T N -0.465 114.055 114.554 -0.055 0.000 2.812 577 T HA -0.094 4.256 4.350 -0.000 0.000 0.264 577 T C 2.124 176.760 174.700 -0.107 0.000 1.042 577 T CA 1.323 63.382 62.100 -0.069 0.000 1.140 577 T CB -0.170 68.684 68.868 -0.023 0.000 0.870 577 T HN 0.431 nan 8.240 nan 0.000 0.445 578 Q N 0.990 120.666 119.800 -0.206 0.000 2.084 578 Q HA -0.028 4.312 4.340 -0.000 0.000 0.202 578 Q C 2.371 178.394 176.000 0.038 0.000 0.978 578 Q CA 1.137 56.861 55.803 -0.132 0.000 0.844 578 Q CB -0.411 28.209 28.738 -0.196 0.000 0.898 578 Q HN 0.450 nan 8.270 nan 0.000 0.426 579 R N 0.883 121.408 120.500 0.041 0.000 2.170 579 R HA -0.151 4.189 4.340 -0.000 0.000 0.242 579 R C 1.195 177.517 176.300 0.037 0.000 1.145 579 R CA 1.203 57.367 56.100 0.107 0.000 0.984 579 R CB 0.238 30.550 30.300 0.020 0.000 0.869 579 R HN 0.170 nan 8.270 nan 0.000 0.455 580 E N -0.947 119.249 120.200 -0.007 0.000 2.479 580 E HA -0.026 4.324 4.350 -0.000 0.000 0.193 580 E C 1.782 178.381 176.600 -0.002 0.000 1.049 580 E CA 0.623 57.013 56.400 -0.016 0.000 0.870 580 E CB 0.309 29.986 29.700 -0.038 0.000 0.944 580 E HN 0.435 nan 8.360 nan 0.000 0.492 581 R N 1.559 122.065 120.500 0.010 0.000 2.313 581 R HA 0.125 4.465 4.340 -0.000 0.000 0.199 581 R C 1.646 177.960 176.300 0.023 0.000 0.958 581 R CA 0.970 57.078 56.100 0.013 0.000 1.047 581 R CB -1.577 28.729 30.300 0.010 0.000 0.955 581 R HN 0.234 nan 8.270 nan 0.000 0.481 582 R N 0.000 120.519 120.500 0.032 0.000 2.786 582 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 582 R CA 0.000 56.116 56.100 0.026 0.000 0.921 582 R CB 0.000 30.321 30.300 0.034 0.000 0.687 582 R HN 0.000 nan 8.270 nan 0.000 0.535