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 3o4j_1_B DATA FIRST_RESID 6 DATA SEQUENCE PVEFSRIVRD VERLIAVEKY SLQGVVDGDK LLVVGFSEGS VNAYLYDGGE DATA SEQUENCE TVKLNREPIN SVLDPHYGVG RVILVRDVSK GAEQHALFKV NTSRPGEEQR DATA SEQUENCE LEAVKPMRIL SGVDTGEAVV FTGATEDRVA LYALDGGGLR 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 LALIHPQNNS RTPLKPLLRL MGELLARGKT FEAHIIPDAX DATA SEQUENCE XAINTMEDAV KILLPAVFFL ATQRER 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 0.000 177.207 177.300 -0.155 0.000 1.155 6 P CA 0.000 63.048 63.100 -0.086 0.000 0.800 6 P CB 0.000 31.672 31.700 -0.046 0.000 0.726 7 V N 1.672 121.428 119.914 -0.262 0.000 2.572 7 V HA 0.088 4.202 4.120 -0.010 0.000 0.291 7 V C 0.836 176.640 176.094 -0.484 0.000 1.039 7 V CA 0.032 62.041 62.300 -0.486 0.000 1.055 7 V CB 0.416 31.679 31.823 -0.934 0.000 0.969 7 V HN 0.465 nan 8.190 nan 0.000 0.482 8 E N 4.601 124.589 120.200 -0.353 0.000 2.069 8 E HA 0.173 4.517 4.350 -0.010 0.000 0.254 8 E C 0.132 176.639 176.600 -0.155 0.000 1.088 8 E CA -0.082 56.213 56.400 -0.176 0.000 1.017 8 E CB 0.209 29.853 29.700 -0.094 0.000 1.226 8 E HN 0.641 nan 8.360 nan 0.000 0.458 9 F N 1.365 121.209 119.950 -0.177 0.000 2.095 9 F HA -0.264 4.258 4.527 -0.008 0.000 0.298 9 F C 2.804 178.597 175.800 -0.013 0.000 1.104 9 F CA 1.791 59.615 58.000 -0.293 0.000 1.232 9 F CB -0.381 38.325 39.000 -0.490 0.000 0.987 9 F HN 0.317 nan 8.300 nan 0.000 0.475 10 S N 0.137 115.957 115.700 0.200 0.000 2.406 10 S HA -0.197 4.268 4.470 -0.010 0.000 0.228 10 S C 2.039 176.714 174.600 0.125 0.000 1.020 10 S CA 0.891 59.188 58.200 0.160 0.000 0.965 10 S CB -0.670 62.591 63.200 0.102 0.000 0.798 10 S HN 0.412 nan 8.310 nan 0.000 0.488 11 R N 1.268 121.821 120.500 0.088 0.000 2.081 11 R HA 0.046 4.380 4.340 -0.010 0.000 0.235 11 R C 2.149 178.501 176.300 0.086 0.000 1.131 11 R CA 1.629 57.766 56.100 0.062 0.000 0.960 11 R CB -0.583 29.731 30.300 0.025 0.000 0.856 11 R HN 0.496 nan 8.270 nan 0.000 0.436 12 I N 0.282 120.929 120.570 0.128 0.000 2.163 12 I HA -0.280 3.884 4.170 -0.010 0.000 0.243 12 I C 2.203 178.419 176.117 0.164 0.000 1.085 12 I CA 1.153 62.556 61.300 0.172 0.000 1.347 12 I CB -0.200 37.983 38.000 0.305 0.000 1.044 12 I HN 0.046 nan 8.210 nan 0.000 0.408 13 V N 0.651 120.698 119.914 0.222 0.000 2.332 13 V HA -0.285 3.829 4.120 -0.010 0.000 0.248 13 V C 2.555 178.693 176.094 0.074 0.000 1.055 13 V CA 1.857 64.241 62.300 0.140 0.000 1.038 13 V CB -0.800 31.135 31.823 0.187 0.000 0.651 13 V HN 0.367 nan 8.190 nan 0.000 0.450 14 R N -0.232 120.314 120.500 0.076 0.000 2.096 14 R HA -0.151 4.183 4.340 -0.010 0.000 0.235 14 R C 2.102 178.426 176.300 0.040 0.000 1.127 14 R CA 1.697 57.827 56.100 0.049 0.000 0.968 14 R CB -0.389 29.939 30.300 0.046 0.000 0.861 14 R HN 0.532 nan 8.270 nan 0.000 0.440 15 D N 0.008 120.436 120.400 0.047 0.000 2.097 15 D HA -0.104 4.530 4.640 -0.010 0.000 0.197 15 D C 1.998 178.316 176.300 0.029 0.000 0.984 15 D CA 0.964 54.989 54.000 0.042 0.000 0.826 15 D CB -0.257 40.571 40.800 0.048 0.000 0.973 15 D HN -0.044 nan 8.370 nan 0.000 0.460 16 V N 1.209 121.129 119.914 0.010 0.000 2.332 16 V HA -0.245 3.869 4.120 -0.010 0.000 0.248 16 V C 2.438 178.519 176.094 -0.023 0.000 1.055 16 V CA 1.927 64.208 62.300 -0.032 0.000 1.038 16 V CB -0.475 31.300 31.823 -0.080 0.000 0.651 16 V HN 0.269 nan 8.190 nan 0.000 0.450 17 E N -0.005 120.190 120.200 -0.009 0.000 2.153 17 E HA -0.232 4.112 4.350 -0.010 0.000 0.194 17 E C 2.409 179.011 176.600 0.004 0.000 0.988 17 E CA 1.196 57.592 56.400 -0.007 0.000 0.811 17 E CB -0.020 29.681 29.700 0.001 0.000 0.746 17 E HN 0.546 nan 8.360 nan 0.000 0.466 18 R N -0.186 120.324 120.500 0.017 0.000 2.119 18 R HA 0.018 4.352 4.340 -0.010 0.000 0.222 18 R C 2.465 178.790 176.300 0.042 0.000 1.088 18 R CA 0.747 56.861 56.100 0.023 0.000 0.984 18 R CB -0.037 30.280 30.300 0.028 0.000 0.884 18 R HN 0.253 nan 8.270 nan 0.000 0.447 19 L N 0.310 121.576 121.223 0.071 0.000 2.217 19 L HA -0.078 4.257 4.340 -0.010 0.000 0.211 19 L C 2.133 179.079 176.870 0.127 0.000 1.107 19 L CA 0.559 55.493 54.840 0.156 0.000 0.783 19 L CB -0.161 42.003 42.059 0.175 0.000 0.919 19 L HN 0.156 nan 8.230 nan 0.000 0.442 20 I N 0.179 120.774 120.570 0.041 0.000 2.500 20 I HA -0.130 4.034 4.170 -0.010 0.000 0.252 20 I C 2.458 178.578 176.117 0.004 0.000 1.142 20 I CA 1.180 62.488 61.300 0.014 0.000 1.451 20 I CB -0.746 37.237 38.000 -0.027 0.000 1.093 20 I HN 0.162 nan 8.210 nan 0.000 0.430 21 A N 0.131 122.948 122.820 -0.005 0.000 2.195 21 A HA 0.060 4.374 4.320 -0.010 0.000 0.210 21 A C 1.230 178.781 177.584 -0.054 0.000 1.165 21 A CA -0.002 52.021 52.037 -0.023 0.000 0.806 21 A CB -0.282 18.709 19.000 -0.015 0.000 0.847 21 A HN 0.107 nan 8.150 nan 0.000 0.482 22 V N 1.219 121.092 119.914 -0.068 0.000 2.599 22 V HA 0.074 4.188 4.120 -0.010 0.000 0.300 22 V C 0.329 176.297 176.094 -0.209 0.000 1.034 22 V CA -0.153 62.069 62.300 -0.131 0.000 1.115 22 V CB 0.621 32.338 31.823 -0.176 0.000 0.934 22 V HN 0.619 nan 8.190 nan 0.000 0.485 23 E N 5.261 125.321 120.200 -0.232 0.000 2.360 23 E HA 0.323 4.667 4.350 -0.010 0.000 0.269 23 E C -0.560 175.692 176.600 -0.580 0.000 1.022 23 E CA -0.117 56.054 56.400 -0.383 0.000 0.887 23 E CB 0.593 30.054 29.700 -0.399 0.000 0.990 23 E HN 0.725 nan 8.360 nan 0.000 0.426 24 K N 2.986 122.935 120.400 -0.753 0.000 2.316 24 K HA 0.383 4.697 4.320 -0.010 0.000 0.251 24 K C -1.464 174.639 176.600 -0.828 0.000 0.934 24 K CA -0.656 55.136 56.287 -0.824 0.000 0.802 24 K CB 1.529 33.446 32.500 -0.972 0.000 1.171 24 K HN 0.374 nan 8.250 nan 0.000 0.426 25 Y N 0.246 120.379 120.300 -0.278 0.000 2.446 25 Y HA 0.377 4.921 4.550 -0.010 0.000 0.345 25 Y C 0.164 176.075 175.900 0.018 0.000 0.984 25 Y CA -0.780 57.292 58.100 -0.047 0.000 1.058 25 Y CB 2.352 40.749 38.460 -0.104 0.000 1.220 25 Y HN 0.641 nan 8.280 nan 0.000 0.455 26 S N 2.456 118.345 115.700 0.315 0.000 2.566 26 S HA 0.735 5.199 4.470 -0.010 0.000 0.298 26 S C -1.519 173.123 174.600 0.070 0.000 1.083 26 S CA -0.848 57.453 58.200 0.169 0.000 0.978 26 S CB 1.931 65.254 63.200 0.205 0.000 1.073 26 S HN 0.577 nan 8.310 nan 0.000 0.491 27 L N 1.931 123.136 121.223 -0.030 0.000 2.295 27 L HA 0.546 4.880 4.340 -0.010 0.000 0.285 27 L C 0.653 177.452 176.870 -0.118 0.000 1.035 27 L CA 0.065 54.844 54.840 -0.102 0.000 0.806 27 L CB 1.239 43.203 42.059 -0.158 0.000 1.214 27 L HN 0.808 nan 8.230 nan 0.000 0.426 28 Q N 3.685 123.420 119.800 -0.109 0.000 2.442 28 Q HA 0.511 4.845 4.340 -0.010 0.000 0.228 28 Q C 0.533 176.456 176.000 -0.128 0.000 0.902 28 Q CA 0.719 56.465 55.803 -0.095 0.000 0.933 28 Q CB 1.130 29.834 28.738 -0.056 0.000 1.071 28 Q HN 0.893 nan 8.270 nan 0.000 0.562 29 G N -0.465 108.227 108.800 -0.179 0.000 2.325 29 G HA2 0.368 4.323 3.960 -0.010 0.000 0.295 29 G HA3 0.368 4.323 3.960 -0.010 0.000 0.295 29 G C -1.770 172.941 174.900 -0.316 0.000 1.274 29 G CA -0.533 44.402 45.100 -0.275 0.000 0.857 29 G HN -0.092 nan 8.290 nan 0.000 0.499 30 V N 0.594 120.256 119.914 -0.420 0.000 2.495 30 V HA 0.796 4.910 4.120 -0.010 0.000 0.298 30 V C 0.431 176.450 176.094 -0.125 0.000 1.031 30 V CA -0.157 61.991 62.300 -0.253 0.000 0.871 30 V CB 0.942 32.677 31.823 -0.146 0.000 0.988 30 V HN 1.539 nan 8.190 nan 0.000 0.432 31 V N 0.891 120.785 119.914 -0.034 0.000 3.165 31 V HA 0.913 5.027 4.120 -0.010 0.000 0.309 31 V C -0.289 175.837 176.094 0.054 0.000 1.267 31 V CA -0.212 62.096 62.300 0.014 0.000 1.067 31 V CB 1.476 33.297 31.823 -0.004 0.000 1.082 31 V HN 0.899 nan 8.190 nan 0.000 0.451 32 D N 0.447 120.882 120.400 0.058 0.000 3.369 32 D HA -0.085 4.549 4.640 -0.010 0.000 0.217 32 D C 0.648 176.997 176.300 0.080 0.000 1.532 32 D CA 2.026 56.062 54.000 0.061 0.000 1.126 32 D CB -1.331 39.501 40.800 0.053 0.000 0.683 32 D HN 1.919 nan 8.370 nan 0.000 0.827 33 G N 0.280 109.127 108.800 0.078 0.000 2.916 33 G HA2 0.347 4.301 3.960 -0.010 0.000 0.280 33 G HA3 0.347 4.301 3.960 -0.010 0.000 0.280 33 G C -0.260 174.720 174.900 0.134 0.000 0.758 33 G CA 0.768 45.923 45.100 0.090 0.000 1.993 33 G HN 0.759 nan 8.290 nan 0.000 0.564 34 D N 0.065 120.570 120.400 0.176 0.000 2.737 34 D HA -0.153 4.481 4.640 -0.010 0.000 0.238 34 D C 0.294 176.863 176.300 0.448 0.000 1.157 34 D CA 1.180 55.356 54.000 0.293 0.000 0.694 34 D CB -0.582 40.347 40.800 0.214 0.000 1.021 34 D HN 0.499 nan 8.370 nan 0.000 0.420 35 K N 0.552 121.112 120.400 0.267 0.000 2.316 35 K HA 0.471 4.785 4.320 -0.010 0.000 0.251 35 K C 0.259 176.792 176.600 -0.112 0.000 0.934 35 K CA -1.063 55.317 56.287 0.156 0.000 0.802 35 K CB 1.612 34.165 32.500 0.090 0.000 1.171 35 K HN 0.073 nan 8.250 nan 0.000 0.426 36 L N 2.774 123.759 121.223 -0.398 0.000 2.416 36 L HA 0.162 4.496 4.340 -0.010 0.000 0.272 36 L C -0.100 176.661 176.870 -0.182 0.000 1.161 36 L CA -0.648 53.918 54.840 -0.458 0.000 0.845 36 L CB 0.147 41.832 42.059 -0.623 0.000 1.119 36 L HN 0.319 nan 8.230 nan 0.000 0.464 37 L N 5.610 126.736 121.223 -0.161 0.000 2.265 37 L HA 0.491 4.825 4.340 -0.010 0.000 0.289 37 L C -0.244 176.590 176.870 -0.060 0.000 1.033 37 L CA -0.207 54.589 54.840 -0.073 0.000 0.814 37 L CB 1.300 43.317 42.059 -0.071 0.000 1.203 37 L HN 0.353 nan 8.230 nan 0.000 0.423 38 V N 3.476 123.403 119.914 0.021 0.000 2.914 38 V HA 0.809 4.923 4.120 -0.010 0.000 0.314 38 V C -0.823 175.391 176.094 0.199 0.000 1.084 38 V CA -0.752 61.590 62.300 0.070 0.000 0.963 38 V CB 1.984 33.819 31.823 0.019 0.000 1.025 38 V HN 0.385 nan 8.190 nan 0.000 0.432 39 V N 2.406 122.451 119.914 0.218 0.000 2.495 39 V HA 0.858 4.972 4.120 -0.010 0.000 0.298 39 V C 0.711 177.038 176.094 0.389 0.000 1.031 39 V CA 0.300 62.724 62.300 0.207 0.000 0.871 39 V CB 1.578 33.408 31.823 0.012 0.000 0.988 39 V HN 1.332 nan 8.190 nan 0.000 0.432 40 G N 4.247 113.308 108.800 0.435 0.000 2.461 40 G HA2 0.778 4.732 3.960 -0.010 0.000 0.323 40 G HA3 0.778 4.732 3.960 -0.010 0.000 0.323 40 G C -0.992 174.134 174.900 0.377 0.000 1.229 40 G CA -0.509 44.781 45.100 0.316 0.000 0.941 40 G HN 0.561 nan 8.290 nan 0.000 0.477 41 F N 0.830 120.663 119.950 -0.194 0.000 2.520 41 F HA 0.740 5.262 4.527 -0.009 0.000 0.322 41 F C 0.175 175.882 175.800 -0.155 0.000 1.103 41 F CA -1.323 56.601 58.000 -0.126 0.000 0.926 41 F CB 2.734 41.678 39.000 -0.094 0.000 1.154 41 F HN 0.468 nan 8.300 nan 0.000 0.453 42 S N 1.885 117.652 115.700 0.112 0.000 2.668 42 S HA 0.224 4.689 4.470 -0.010 0.000 0.277 42 S C -0.527 174.095 174.600 0.036 0.000 1.170 42 S CA -0.418 57.788 58.200 0.011 0.000 0.994 42 S CB 0.911 64.100 63.200 -0.018 0.000 1.051 42 S HN 0.815 nan 8.310 nan 0.000 0.484 43 E N 2.705 122.920 120.200 0.025 0.000 2.360 43 E HA -0.243 4.101 4.350 -0.010 0.000 0.238 43 E C 0.796 177.416 176.600 0.033 0.000 1.186 43 E CA 0.847 57.260 56.400 0.021 0.000 0.719 43 E CB -1.566 28.137 29.700 0.006 0.000 1.236 43 E HN 1.537 nan 8.360 nan 0.000 0.386 44 G N -0.184 108.655 108.800 0.065 0.000 2.162 44 G HA2 -0.358 3.596 3.960 -0.010 0.000 0.260 44 G HA3 -0.358 3.596 3.960 -0.010 0.000 0.260 44 G C 0.089 175.007 174.900 0.031 0.000 0.976 44 G CA 0.578 45.711 45.100 0.054 0.000 0.655 44 G HN 0.575 nan 8.290 nan 0.000 0.533 45 S N -0.259 115.464 115.700 0.039 0.000 2.474 45 S HA 0.659 5.123 4.470 -0.010 0.000 0.321 45 S C 0.123 174.733 174.600 0.018 0.000 1.080 45 S CA -0.359 57.849 58.200 0.013 0.000 1.106 45 S CB 1.346 64.553 63.200 0.013 0.000 0.984 45 S HN 0.789 nan 8.310 nan 0.000 0.464 46 V N 6.600 126.488 119.914 -0.043 0.000 2.472 46 V HA 0.581 4.695 4.120 -0.010 0.000 0.290 46 V C 0.057 176.095 176.094 -0.094 0.000 1.037 46 V CA -0.781 61.462 62.300 -0.094 0.000 0.908 46 V CB 1.521 33.218 31.823 -0.209 0.000 0.985 46 V HN 0.853 nan 8.190 nan 0.000 0.454 47 N N 1.762 120.412 118.700 -0.084 0.000 2.455 47 N HA 0.783 5.518 4.740 -0.010 0.000 0.278 47 N C -0.900 174.412 175.510 -0.329 0.000 1.291 47 N CA -0.481 52.428 53.050 -0.236 0.000 0.780 47 N CB 2.613 40.912 38.487 -0.313 0.000 1.520 47 N HN 0.742 nan 8.380 nan 0.000 0.486 48 A N 0.863 123.380 122.820 -0.505 0.000 2.342 48 A HA 0.769 5.083 4.320 -0.010 0.000 0.323 48 A C -1.725 175.531 177.584 -0.546 0.000 1.125 48 A CA -0.405 51.419 52.037 -0.355 0.000 0.785 48 A CB 0.617 19.505 19.000 -0.187 0.000 1.221 48 A HN 0.605 nan 8.150 nan 0.000 0.463 49 Y N 0.632 120.950 120.300 0.031 0.000 2.512 49 Y HA 0.538 5.082 4.550 -0.009 0.000 0.348 49 Y C -0.176 175.736 175.900 0.021 0.000 0.990 49 Y CA -0.812 57.310 58.100 0.038 0.000 1.033 49 Y CB 1.794 40.299 38.460 0.075 0.000 1.259 49 Y HN 0.551 nan 8.280 nan 0.000 0.461 50 L N 2.881 124.210 121.223 0.178 0.000 2.305 50 L HA 0.299 4.633 4.340 -0.010 0.000 0.281 50 L C -1.048 175.908 176.870 0.144 0.000 1.085 50 L CA -0.551 54.354 54.840 0.108 0.000 0.813 50 L CB 0.591 42.688 42.059 0.063 0.000 1.157 50 L HN 0.619 nan 8.230 nan 0.000 0.436 51 Y N 3.221 123.483 120.300 -0.064 0.000 2.350 51 Y HA 0.492 5.036 4.550 -0.009 0.000 0.338 51 Y C -1.085 174.778 175.900 -0.062 0.000 0.961 51 Y CA -0.721 57.319 58.100 -0.101 0.000 1.100 51 Y CB 1.498 39.833 38.460 -0.208 0.000 1.179 51 Y HN 0.505 nan 8.280 nan 0.000 0.454 52 D N 4.016 123.950 120.400 -0.776 0.000 2.890 52 D HA 0.352 4.986 4.640 -0.010 0.000 0.233 52 D C 0.187 176.145 176.300 -0.571 0.000 1.306 52 D CA 0.453 54.155 54.000 -0.497 0.000 0.929 52 D CB 1.411 42.163 40.800 -0.080 0.000 1.512 52 D HN 1.013 nan 8.370 nan 0.000 0.568 53 G N 2.422 110.978 108.800 -0.406 0.000 2.323 53 G HA2 0.070 4.024 3.960 -0.010 0.000 0.292 53 G HA3 0.070 4.024 3.960 -0.010 0.000 0.292 53 G C 1.111 175.895 174.900 -0.193 0.000 1.040 53 G CA 1.075 46.071 45.100 -0.173 0.000 0.942 53 G HN 1.633 nan 8.290 nan 0.000 0.506 54 G N -1.337 107.298 108.800 -0.275 0.000 2.241 54 G HA2 -0.167 3.788 3.960 -0.010 0.000 0.244 54 G HA3 -0.167 3.788 3.960 -0.010 0.000 0.244 54 G C 0.285 175.196 174.900 0.017 0.000 0.998 54 G CA 1.187 46.319 45.100 0.054 0.000 0.621 54 G HN 1.770 nan 8.290 nan 0.000 0.519 55 E N 0.705 120.824 120.200 -0.135 0.000 2.212 55 E HA 0.661 5.006 4.350 -0.010 0.000 0.270 55 E C -0.300 176.261 176.600 -0.064 0.000 0.956 55 E CA -0.138 56.222 56.400 -0.066 0.000 0.825 55 E CB 1.816 31.483 29.700 -0.056 0.000 1.167 55 E HN 0.502 nan 8.360 nan 0.000 0.400 56 T N -1.697 112.862 114.554 0.009 0.000 2.893 56 T HA 0.562 4.907 4.350 -0.010 0.000 0.291 56 T C -0.475 174.293 174.700 0.112 0.000 1.028 56 T CA -0.813 61.326 62.100 0.065 0.000 0.995 56 T CB 1.511 70.358 68.868 -0.036 0.000 1.051 56 T HN 0.282 nan 8.240 nan 0.000 0.470 57 V N 2.181 122.201 119.914 0.176 0.000 2.540 57 V HA 0.491 4.606 4.120 -0.010 0.000 0.302 57 V C 0.165 176.400 176.094 0.235 0.000 1.035 57 V CA -1.054 61.346 62.300 0.165 0.000 0.873 57 V CB 1.890 33.764 31.823 0.085 0.000 0.992 57 V HN 0.963 nan 8.190 nan 0.000 0.428 58 K N 3.191 123.711 120.400 0.201 0.000 2.322 58 K HA 0.356 4.670 4.320 -0.010 0.000 0.283 58 K C 0.452 177.017 176.600 -0.058 0.000 1.042 58 K CA -0.232 56.066 56.287 0.019 0.000 0.958 58 K CB 0.910 33.414 32.500 0.006 0.000 0.984 58 K HN 0.611 nan 8.250 nan 0.000 0.473 59 L N 3.087 124.226 121.223 -0.141 0.000 2.202 59 L HA -0.063 4.271 4.340 -0.010 0.000 0.205 59 L C 1.191 177.996 176.870 -0.108 0.000 1.083 59 L CA 0.376 55.159 54.840 -0.095 0.000 0.790 59 L CB -0.173 41.832 42.059 -0.090 0.000 0.942 59 L HN 0.712 nan 8.230 nan 0.000 0.452 60 N N -0.665 117.937 118.700 -0.163 0.000 2.478 60 N HA 0.187 4.922 4.740 -0.010 0.000 0.275 60 N C 0.353 175.779 175.510 -0.139 0.000 1.221 60 N CA -0.536 52.420 53.050 -0.156 0.000 0.979 60 N CB 1.536 39.910 38.487 -0.189 0.000 1.202 60 N HN -0.034 nan 8.380 nan 0.000 0.564 61 R N -0.466 119.947 120.500 -0.146 0.000 1.921 61 R HA 0.181 4.516 4.340 -0.010 0.000 0.190 61 R C 0.147 176.374 176.300 -0.121 0.000 1.595 61 R CA 0.091 56.120 56.100 -0.119 0.000 1.236 61 R CB -0.195 30.034 30.300 -0.119 0.000 1.010 61 R HN 0.612 nan 8.270 nan 0.000 0.482 62 E N 1.438 121.548 120.200 -0.149 0.000 2.345 62 E HA 0.218 4.562 4.350 -0.010 0.000 0.259 62 E C -2.278 174.238 176.600 -0.139 0.000 1.117 62 E CA -1.925 54.397 56.400 -0.130 0.000 0.913 62 E CB 0.099 29.717 29.700 -0.137 0.000 1.057 62 E HN -0.003 nan 8.360 nan 0.000 0.432 63 P HA 0.043 nan 4.420 nan 0.000 0.268 63 P C -0.223 177.006 177.300 -0.119 0.000 1.208 63 P CA 0.432 63.470 63.100 -0.102 0.000 0.777 63 P CB 0.357 32.017 31.700 -0.066 0.000 0.875 64 I N -1.108 119.391 120.570 -0.120 0.000 3.264 64 I HA 0.474 4.638 4.170 -0.010 0.000 0.309 64 I C 0.818 176.879 176.117 -0.092 0.000 1.099 64 I CA -0.834 60.399 61.300 -0.112 0.000 0.989 64 I CB 1.934 39.856 38.000 -0.130 0.000 1.250 64 I HN 0.167 nan 8.210 nan 0.000 0.478 65 N N 0.427 119.081 118.700 -0.076 0.000 2.439 65 N HA 0.037 4.772 4.740 -0.010 0.000 0.176 65 N C -0.089 175.334 175.510 -0.145 0.000 1.029 65 N CA 1.110 54.110 53.050 -0.083 0.000 0.886 65 N CB 0.594 39.063 38.487 -0.029 0.000 1.057 65 N HN 0.887 nan 8.380 nan 0.000 0.437 66 S N -0.990 114.623 115.700 -0.144 0.000 2.688 66 S HA 0.369 4.833 4.470 -0.010 0.000 0.266 66 S C -0.912 173.623 174.600 -0.109 0.000 1.061 66 S CA -0.719 57.393 58.200 -0.147 0.000 0.844 66 S CB 1.084 64.204 63.200 -0.133 0.000 1.103 66 S HN 0.142 nan 8.310 nan 0.000 0.471 67 V N -0.648 119.214 119.914 -0.087 0.000 2.919 67 V HA 0.781 4.895 4.120 -0.010 0.000 0.316 67 V C -0.198 175.878 176.094 -0.030 0.000 1.077 67 V CA -1.230 61.036 62.300 -0.057 0.000 0.977 67 V CB 1.064 32.857 31.823 -0.051 0.000 1.039 67 V HN 0.984 nan 8.190 nan 0.000 0.441 68 L N 1.236 122.451 121.223 -0.014 0.000 2.453 68 L HA 0.441 4.775 4.340 -0.010 0.000 0.261 68 L C -0.134 176.761 176.870 0.042 0.000 1.179 68 L CA -0.505 54.350 54.840 0.026 0.000 0.813 68 L CB 0.373 42.449 42.059 0.028 0.000 1.110 68 L HN 0.641 nan 8.230 nan 0.000 0.466 69 D N 2.380 122.829 120.400 0.082 0.000 2.339 69 D HA 0.212 4.846 4.640 -0.010 0.000 0.256 69 D C -2.228 174.140 176.300 0.115 0.000 1.214 69 D CA -1.063 52.996 54.000 0.098 0.000 0.877 69 D CB 0.738 41.629 40.800 0.151 0.000 1.111 69 D HN 0.218 nan 8.370 nan 0.000 0.478 70 P HA 0.181 nan 4.420 nan 0.000 0.286 70 P C -0.279 177.143 177.300 0.203 0.000 1.261 70 P CA -0.462 62.699 63.100 0.102 0.000 0.821 70 P CB 0.920 32.644 31.700 0.040 0.000 1.013 71 H N 0.703 119.818 119.070 0.074 0.000 2.757 71 H HA 0.126 4.676 4.556 -0.010 0.000 0.370 71 H C -0.041 175.360 175.328 0.122 0.000 1.172 71 H CA 0.302 56.431 56.048 0.135 0.000 1.426 71 H CB -0.374 29.476 29.762 0.146 0.000 1.438 71 H HN 0.329 nan 8.280 nan 0.000 0.612 72 Y N 0.390 120.780 120.300 0.149 0.000 2.805 72 Y HA 0.075 4.619 4.550 -0.010 0.000 0.331 72 Y C 1.732 177.705 175.900 0.123 0.000 1.241 72 Y CA 1.631 59.801 58.100 0.117 0.000 1.546 72 Y CB 0.066 38.579 38.460 0.088 0.000 1.248 72 Y HN 0.915 nan 8.280 nan 0.000 0.559 73 G N 1.570 110.494 108.800 0.206 0.000 2.159 73 G HA2 -0.268 3.686 3.960 -0.010 0.000 0.256 73 G HA3 -0.268 3.686 3.960 -0.010 0.000 0.256 73 G C -0.068 174.906 174.900 0.124 0.000 0.977 73 G CA -0.039 45.160 45.100 0.167 0.000 0.652 73 G HN 1.066 nan 8.290 nan 0.000 0.531 74 V N -1.039 118.944 119.914 0.115 0.000 2.655 74 V HA 0.658 4.772 4.120 -0.010 0.000 0.300 74 V C 1.422 177.552 176.094 0.059 0.000 1.044 74 V CA 0.594 62.946 62.300 0.086 0.000 1.095 74 V CB 1.392 33.262 31.823 0.078 0.000 0.952 74 V HN 1.148 nan 8.190 nan 0.000 0.485 75 G N 4.994 113.824 108.800 0.051 0.000 3.332 75 G HA2 0.380 4.334 3.960 -0.010 0.000 0.242 75 G HA3 0.380 4.334 3.960 -0.010 0.000 0.242 75 G C 0.469 175.387 174.900 0.029 0.000 1.276 75 G CA 0.003 45.127 45.100 0.040 0.000 0.988 75 G HN 1.157 nan 8.290 nan 0.000 0.517 76 R N -2.646 117.869 120.500 0.026 0.000 2.728 76 R HA 0.657 4.991 4.340 -0.010 0.000 0.274 76 R C -2.329 173.979 176.300 0.012 0.000 1.030 76 R CA -0.755 55.356 56.100 0.017 0.000 0.876 76 R CB 1.166 31.476 30.300 0.016 0.000 1.259 76 R HN -0.100 nan 8.270 nan 0.000 0.468 77 V N 1.727 121.644 119.914 0.006 0.000 2.841 77 V HA 0.481 4.595 4.120 -0.010 0.000 0.310 77 V C -0.721 175.372 176.094 -0.001 0.000 1.090 77 V CA -0.955 61.344 62.300 -0.002 0.000 0.930 77 V CB 2.218 34.033 31.823 -0.013 0.000 1.014 77 V HN 0.562 nan 8.190 nan 0.000 0.425 78 I N 5.217 125.783 120.570 -0.007 0.000 2.330 78 I HA 0.417 4.581 4.170 -0.010 0.000 0.289 78 I C -0.150 175.958 176.117 -0.015 0.000 1.001 78 I CA -0.241 61.051 61.300 -0.012 0.000 1.193 78 I CB 1.263 39.242 38.000 -0.035 0.000 1.345 78 I HN 0.387 nan 8.210 nan 0.000 0.461 79 L N 6.415 127.649 121.223 0.019 0.000 2.350 79 L HA 0.501 4.835 4.340 -0.010 0.000 0.275 79 L C -0.082 176.814 176.870 0.043 0.000 1.099 79 L CA -0.815 54.034 54.840 0.015 0.000 0.808 79 L CB 1.507 43.581 42.059 0.025 0.000 1.149 79 L HN 0.213 nan 8.230 nan 0.000 0.442 80 V N 3.531 123.435 119.914 -0.017 0.000 2.398 80 V HA 0.513 4.627 4.120 -0.010 0.000 0.286 80 V C -0.051 176.055 176.094 0.021 0.000 1.026 80 V CA -0.605 61.676 62.300 -0.031 0.000 0.868 80 V CB 1.576 33.296 31.823 -0.171 0.000 0.982 80 V HN 0.720 nan 8.190 nan 0.000 0.443 81 R N 2.381 122.969 120.500 0.146 0.000 2.575 81 R HA 0.373 4.707 4.340 -0.010 0.000 0.293 81 R C -1.201 175.240 176.300 0.235 0.000 0.983 81 R CA -0.778 55.406 56.100 0.140 0.000 0.887 81 R CB 1.573 31.904 30.300 0.050 0.000 1.184 81 R HN 0.715 nan 8.270 nan 0.000 0.445 82 D N 3.434 123.959 120.400 0.208 0.000 2.533 82 D HA -0.071 4.564 4.640 -0.010 0.000 0.236 82 D C 1.460 177.799 176.300 0.066 0.000 1.137 82 D CA 0.284 54.353 54.000 0.115 0.000 0.867 82 D CB 1.442 42.269 40.800 0.045 0.000 1.170 82 D HN 0.449 nan 8.370 nan 0.000 0.474 83 V N 0.642 120.572 119.914 0.027 0.000 3.306 83 V HA 0.009 4.124 4.120 -0.010 0.000 0.264 83 V C 0.662 176.767 176.094 0.018 0.000 1.149 83 V CA 1.229 63.556 62.300 0.044 0.000 1.143 83 V CB -0.180 31.657 31.823 0.023 0.000 0.767 83 V HN 0.474 nan 8.190 nan 0.000 0.476 84 S N -0.702 114.996 115.700 -0.004 0.000 2.661 84 S HA 0.709 5.173 4.470 -0.010 0.000 0.285 84 S C -0.064 174.530 174.600 -0.011 0.000 1.138 84 S CA -0.141 58.055 58.200 -0.007 0.000 0.855 84 S CB 1.540 64.732 63.200 -0.013 0.000 1.136 84 S HN 0.960 nan 8.310 nan 0.000 0.484 85 K N 0.225 120.619 120.400 -0.010 0.000 2.315 85 K HA 0.483 4.798 4.320 -0.010 0.000 0.281 85 K C 1.439 178.031 176.600 -0.013 0.000 1.086 85 K CA 0.332 56.612 56.287 -0.011 0.000 1.042 85 K CB -1.674 30.820 32.500 -0.010 0.000 0.949 85 K HN 2.305 nan 8.250 nan 0.000 0.450 86 G N 0.627 109.419 108.800 -0.013 0.000 2.284 86 G HA2 0.015 3.969 3.960 -0.010 0.000 0.247 86 G HA3 0.015 3.969 3.960 -0.010 0.000 0.247 86 G C 0.936 175.819 174.900 -0.029 0.000 1.012 86 G CA 0.547 45.638 45.100 -0.015 0.000 0.618 86 G HN 2.157 nan 8.290 nan 0.000 0.521 87 A N -0.030 122.766 122.820 -0.041 0.000 2.614 87 A HA 0.413 4.727 4.320 -0.010 0.000 0.231 87 A C 0.812 178.326 177.584 -0.118 0.000 1.076 87 A CA 1.567 53.563 52.037 -0.068 0.000 0.767 87 A CB 0.161 19.118 19.000 -0.072 0.000 1.012 87 A HN 1.020 nan 8.150 nan 0.000 0.512 88 E N 0.688 120.809 120.200 -0.133 0.000 2.723 88 E HA 0.256 4.600 4.350 -0.010 0.000 0.219 88 E C -0.652 175.769 176.600 -0.299 0.000 1.060 88 E CA -0.097 56.193 56.400 -0.183 0.000 1.291 88 E CB 0.077 29.741 29.700 -0.060 0.000 1.265 88 E HN 0.638 nan 8.360 nan 0.000 0.438 89 Q N -0.245 119.303 119.800 -0.419 0.000 2.345 89 Q HA 0.483 4.817 4.340 -0.010 0.000 0.275 89 Q C -1.021 174.737 176.000 -0.403 0.000 1.063 89 Q CA -0.637 54.951 55.803 -0.358 0.000 0.819 89 Q CB 2.304 30.965 28.738 -0.129 0.000 1.356 89 Q HN 0.479 nan 8.270 nan 0.000 0.418 90 H N -0.408 118.673 119.070 0.017 0.000 2.797 90 H HA 0.855 5.405 4.556 -0.010 0.000 0.362 90 H C -0.971 174.349 175.328 -0.013 0.000 1.183 90 H CA -0.870 55.188 56.048 0.016 0.000 1.197 90 H CB 1.773 31.543 29.762 0.013 0.000 1.835 90 H HN 0.709 nan 8.280 nan 0.000 0.567 91 A N 0.972 123.887 122.820 0.157 0.000 2.423 91 A HA 0.658 4.972 4.320 -0.010 0.000 0.304 91 A C -1.301 176.245 177.584 -0.063 0.000 1.104 91 A CA -0.765 51.257 52.037 -0.026 0.000 0.757 91 A CB 1.063 20.014 19.000 -0.082 0.000 1.313 91 A HN 0.533 nan 8.150 nan 0.000 0.423 92 L N 0.699 121.739 121.223 -0.306 0.000 2.322 92 L HA 0.674 5.008 4.340 -0.010 0.000 0.279 92 L C -1.307 175.281 176.870 -0.471 0.000 1.036 92 L CA -0.307 54.380 54.840 -0.254 0.000 0.807 92 L CB 1.303 43.165 42.059 -0.329 0.000 1.226 92 L HN 0.660 nan 8.230 nan 0.000 0.433 93 F N 1.125 121.017 119.950 -0.097 0.000 2.565 93 F HA 0.473 4.995 4.527 -0.010 0.000 0.313 93 F C -0.045 175.714 175.800 -0.069 0.000 1.091 93 F CA -0.866 57.091 58.000 -0.072 0.000 0.915 93 F CB 1.972 40.935 39.000 -0.061 0.000 1.208 93 F HN 0.273 nan 8.300 nan 0.000 0.453 94 K N 2.319 122.785 120.400 0.110 0.000 2.206 94 K HA 0.773 5.087 4.320 -0.010 0.000 0.264 94 K C -1.912 174.722 176.600 0.056 0.000 0.967 94 K CA -0.465 55.853 56.287 0.051 0.000 0.844 94 K CB 1.573 34.080 32.500 0.013 0.000 1.099 94 K HN 0.549 nan 8.250 nan 0.000 0.441 95 V N 4.528 124.461 119.914 0.031 0.000 2.409 95 V HA 0.202 4.316 4.120 -0.010 0.000 0.291 95 V C -0.140 175.961 176.094 0.012 0.000 1.020 95 V CA -1.086 61.224 62.300 0.017 0.000 0.848 95 V CB 1.426 33.248 31.823 -0.002 0.000 0.990 95 V HN 0.867 nan 8.190 nan 0.000 0.430 96 N N 2.749 121.457 118.700 0.014 0.000 2.470 96 N HA 0.029 4.763 4.740 -0.010 0.000 0.268 96 N C 1.370 176.888 175.510 0.013 0.000 1.136 96 N CA 0.441 53.500 53.050 0.015 0.000 0.961 96 N CB 1.861 40.357 38.487 0.016 0.000 1.067 96 N HN 0.864 nan 8.380 nan 0.000 0.468 97 T N 0.294 114.857 114.554 0.016 0.000 2.881 97 T HA -0.106 4.239 4.350 -0.010 0.000 0.270 97 T C 1.712 176.424 174.700 0.020 0.000 1.068 97 T CA 1.034 63.145 62.100 0.017 0.000 1.131 97 T CB -0.132 68.750 68.868 0.023 0.000 0.871 97 T HN 0.394 nan 8.240 nan 0.000 0.479 98 S N 1.575 117.287 115.700 0.021 0.000 2.442 98 S HA 0.044 4.508 4.470 -0.010 0.000 0.236 98 S C 1.019 175.628 174.600 0.015 0.000 1.007 98 S CA 0.536 58.747 58.200 0.019 0.000 0.965 98 S CB -0.164 63.047 63.200 0.019 0.000 0.773 98 S HN 0.583 nan 8.310 nan 0.000 0.504 99 R N 1.269 121.777 120.500 0.013 0.000 2.585 99 R HA 0.287 4.621 4.340 -0.010 0.000 0.278 99 R C -3.245 173.058 176.300 0.005 0.000 1.663 99 R CA -1.612 54.494 56.100 0.009 0.000 1.592 99 R CB 0.860 31.165 30.300 0.010 0.000 1.200 99 R HN 0.141 nan 8.270 nan 0.000 0.611 100 P HA 0.075 nan 4.420 nan 0.000 0.271 100 P C 0.872 178.166 177.300 -0.010 0.000 1.216 100 P CA 0.657 63.755 63.100 -0.004 0.000 0.776 100 P CB 0.968 32.671 31.700 0.005 0.000 0.881 101 G N 1.318 110.103 108.800 -0.025 0.000 2.176 101 G HA2 -0.213 3.741 3.960 -0.010 0.000 0.253 101 G HA3 -0.213 3.741 3.960 -0.010 0.000 0.253 101 G C -0.148 174.737 174.900 -0.026 0.000 0.979 101 G CA -0.316 44.764 45.100 -0.033 0.000 0.641 101 G HN 0.581 nan 8.290 nan 0.000 0.530 102 E N 0.961 121.153 120.200 -0.013 0.000 2.113 102 E HA 0.448 4.793 4.350 -0.010 0.000 0.273 102 E C -0.389 176.216 176.600 0.009 0.000 0.924 102 E CA -0.370 56.029 56.400 -0.002 0.000 0.764 102 E CB 1.289 30.992 29.700 0.005 0.000 1.104 102 E HN 0.527 nan 8.360 nan 0.000 0.406 103 E N 2.172 122.384 120.200 0.020 0.000 2.195 103 E HA 0.229 4.573 4.350 -0.010 0.000 0.271 103 E C -0.707 175.964 176.600 0.119 0.000 0.923 103 E CA -0.598 55.842 56.400 0.066 0.000 0.790 103 E CB 2.124 31.837 29.700 0.022 0.000 1.155 103 E HN 0.262 nan 8.360 nan 0.000 0.402 104 Q N 2.800 122.688 119.800 0.146 0.000 2.309 104 Q HA 0.233 4.567 4.340 -0.010 0.000 0.270 104 Q C -1.048 174.999 176.000 0.077 0.000 1.023 104 Q CA -0.643 55.219 55.803 0.099 0.000 0.758 104 Q CB 1.695 30.456 28.738 0.038 0.000 1.247 104 Q HN 0.434 nan 8.270 nan 0.000 0.455 105 R N 3.827 124.332 120.500 0.009 0.000 2.491 105 R HA 0.179 4.513 4.340 -0.010 0.000 0.283 105 R C -0.441 175.699 176.300 -0.268 0.000 1.072 105 R CA -0.062 55.822 56.100 -0.360 0.000 1.048 105 R CB 0.422 30.481 30.300 -0.401 0.000 0.983 105 R HN 0.588 nan 8.270 nan 0.000 0.450 106 L N 5.796 126.811 121.223 -0.346 0.000 2.375 106 L HA 0.100 4.434 4.340 -0.010 0.000 0.276 106 L C 1.152 177.896 176.870 -0.210 0.000 1.162 106 L CA -0.133 54.573 54.840 -0.223 0.000 0.991 106 L CB 0.750 42.680 42.059 -0.214 0.000 1.315 106 L HN 0.704 nan 8.230 nan 0.000 0.431 107 E N 1.991 122.100 120.200 -0.151 0.000 2.268 107 E HA -0.167 4.177 4.350 -0.010 0.000 0.195 107 E C 2.045 178.591 176.600 -0.090 0.000 0.995 107 E CA 1.034 57.361 56.400 -0.121 0.000 0.836 107 E CB 0.292 29.943 29.700 -0.082 0.000 0.763 107 E HN 0.796 nan 8.360 nan 0.000 0.491 108 A N 1.328 124.104 122.820 -0.074 0.000 1.978 108 A HA -0.093 4.221 4.320 -0.010 0.000 0.220 108 A C 1.507 179.056 177.584 -0.059 0.000 1.170 108 A CA 0.756 52.764 52.037 -0.048 0.000 0.636 108 A CB -0.069 18.917 19.000 -0.022 0.000 0.810 108 A HN 0.050 nan 8.150 nan 0.000 0.448 109 V N 2.379 122.236 119.914 -0.095 0.000 2.348 109 V HA 0.191 4.305 4.120 -0.010 0.000 0.270 109 V C 0.470 176.492 176.094 -0.121 0.000 1.037 109 V CA -0.823 61.411 62.300 -0.110 0.000 0.872 109 V CB 0.665 32.395 31.823 -0.154 0.000 1.002 109 V HN 0.649 nan 8.190 nan 0.000 0.464 110 K N 5.831 126.175 120.400 -0.094 0.000 2.187 110 K HA 0.365 4.679 4.320 -0.010 0.000 0.247 110 K C -2.593 173.967 176.600 -0.065 0.000 1.019 110 K CA -1.355 54.890 56.287 -0.071 0.000 0.893 110 K CB -0.081 32.392 32.500 -0.045 0.000 1.025 110 K HN 0.310 nan 8.250 nan 0.000 0.500 111 P HA 0.043 nan 4.420 nan 0.000 0.271 111 P C -0.771 176.525 177.300 -0.006 0.000 1.216 111 P CA 0.122 63.206 63.100 -0.026 0.000 0.771 111 P CB 0.564 32.251 31.700 -0.023 0.000 0.864 112 M N -0.198 119.415 119.600 0.023 0.000 2.949 112 M HA 0.473 4.948 4.480 -0.010 0.000 0.270 112 M C -0.966 175.410 176.300 0.126 0.000 1.221 112 M CA -1.203 54.134 55.300 0.063 0.000 0.818 112 M CB 2.167 34.815 32.600 0.081 0.000 1.635 112 M HN -0.100 nan 8.290 nan 0.000 0.492 113 R N 1.798 122.396 120.500 0.164 0.000 2.248 113 R HA 0.432 4.767 4.340 -0.010 0.000 0.337 113 R C -1.026 175.498 176.300 0.372 0.000 1.085 113 R CA -0.395 55.874 56.100 0.282 0.000 0.934 113 R CB 0.261 30.692 30.300 0.220 0.000 1.034 113 R HN 0.612 nan 8.270 nan 0.000 0.465 114 I N 7.026 127.874 120.570 0.463 0.000 2.416 114 I HA -0.034 4.130 4.170 -0.010 0.000 0.288 114 I C 1.139 177.344 176.117 0.148 0.000 1.051 114 I CA 0.217 61.632 61.300 0.191 0.000 1.375 114 I CB 1.326 39.306 38.000 -0.032 0.000 1.407 114 I HN 0.796 nan 8.210 nan 0.000 0.516 115 L N 4.798 126.145 121.223 0.208 0.000 2.470 115 L HA 0.102 4.436 4.340 -0.010 0.000 0.219 115 L C 0.621 177.678 176.870 0.313 0.000 1.071 115 L CA 0.362 55.337 54.840 0.225 0.000 0.850 115 L CB 0.183 42.285 42.059 0.070 0.000 1.040 115 L HN 0.824 nan 8.230 nan 0.000 0.475 116 S N -1.530 114.335 115.700 0.275 0.000 2.627 116 S HA 0.731 5.195 4.470 -0.010 0.000 0.268 116 S C -0.750 174.018 174.600 0.280 0.000 1.130 116 S CA -0.173 58.208 58.200 0.302 0.000 0.819 116 S CB 1.674 65.123 63.200 0.415 0.000 1.100 116 S HN 0.114 nan 8.310 nan 0.000 0.465 117 G N -0.497 108.448 108.800 0.241 0.000 2.579 117 G HA2 0.605 4.559 3.960 -0.010 0.000 0.292 117 G HA3 0.605 4.559 3.960 -0.010 0.000 0.292 117 G C -2.093 172.921 174.900 0.190 0.000 1.484 117 G CA -0.289 44.959 45.100 0.246 0.000 0.813 117 G HN 1.430 nan 8.290 nan 0.000 0.515 118 V N 0.507 120.533 119.914 0.186 0.000 2.932 118 V HA 0.653 4.768 4.120 -0.010 0.000 0.307 118 V C -1.664 174.485 176.094 0.091 0.000 1.147 118 V CA -0.665 61.725 62.300 0.150 0.000 0.951 118 V CB 2.365 34.295 31.823 0.180 0.000 1.031 118 V HN 0.896 nan 8.190 nan 0.000 0.426 119 D N 1.704 122.126 120.400 0.037 0.000 2.549 119 D HA 0.387 5.021 4.640 -0.010 0.000 0.251 119 D C 0.870 177.061 176.300 -0.182 0.000 1.153 119 D CA 0.217 54.198 54.000 -0.031 0.000 0.861 119 D CB 2.299 43.102 40.800 0.006 0.000 1.207 119 D HN 0.657 nan 8.370 nan 0.000 0.543 120 T N 0.597 114.974 114.554 -0.295 0.000 3.067 120 T HA 0.319 4.663 4.350 -0.010 0.000 0.257 120 T C 1.476 176.071 174.700 -0.175 0.000 1.105 120 T CA 0.846 62.617 62.100 -0.548 0.000 1.104 120 T CB 0.226 68.870 68.868 -0.374 0.000 0.925 120 T HN 0.680 nan 8.240 nan 0.000 0.498 121 G N 1.075 109.830 108.800 -0.074 0.000 2.259 121 G HA2 -0.209 3.745 3.960 -0.010 0.000 0.217 121 G HA3 -0.209 3.745 3.960 -0.010 0.000 0.217 121 G C 0.739 175.638 174.900 -0.001 0.000 1.001 121 G CA 0.281 45.376 45.100 -0.008 0.000 0.627 121 G HN 0.544 nan 8.290 nan 0.000 0.501 122 E N -0.130 120.064 120.200 -0.010 0.000 2.485 122 E HA 0.582 4.926 4.350 -0.010 0.000 0.213 122 E C 0.568 177.172 176.600 0.007 0.000 0.923 122 E CA 0.601 57.003 56.400 0.004 0.000 1.054 122 E CB 1.304 31.011 29.700 0.010 0.000 1.077 122 E HN 0.885 nan 8.360 nan 0.000 0.509 123 A N 1.015 123.833 122.820 -0.003 0.000 2.459 123 A HA 0.483 4.798 4.320 -0.010 0.000 0.296 123 A C -0.965 176.638 177.584 0.032 0.000 1.039 123 A CA -0.563 51.487 52.037 0.022 0.000 0.698 123 A CB 1.481 20.496 19.000 0.024 0.000 1.261 123 A HN -0.018 nan 8.150 nan 0.000 0.405 124 V N 2.858 122.822 119.914 0.083 0.000 2.385 124 V HA 0.379 4.493 4.120 -0.010 0.000 0.269 124 V C -0.134 176.114 176.094 0.257 0.000 1.043 124 V CA -0.338 62.046 62.300 0.140 0.000 0.906 124 V CB 1.061 32.955 31.823 0.118 0.000 0.995 124 V HN 0.612 nan 8.190 nan 0.000 0.467 125 V N 7.344 127.398 119.914 0.234 0.000 2.370 125 V HA 0.667 4.781 4.120 -0.010 0.000 0.283 125 V C -0.348 175.949 176.094 0.338 0.000 1.023 125 V CA -0.427 62.006 62.300 0.222 0.000 0.857 125 V CB 0.964 32.869 31.823 0.137 0.000 0.985 125 V HN 0.805 nan 8.190 nan 0.000 0.443 126 F N 1.732 121.774 119.950 0.153 0.000 2.662 126 F HA 0.900 5.421 4.527 -0.010 0.000 0.312 126 F C -0.189 175.740 175.800 0.215 0.000 1.113 126 F CA -0.826 57.272 58.000 0.164 0.000 0.951 126 F CB 1.816 40.886 39.000 0.117 0.000 1.344 126 F HN 0.429 nan 8.300 nan 0.000 0.462 127 T N -1.138 113.604 114.554 0.313 0.000 2.940 127 T HA 0.918 5.263 4.350 -0.010 0.000 0.288 127 T C -0.418 174.482 174.700 0.333 0.000 1.033 127 T CA -0.534 61.684 62.100 0.195 0.000 1.033 127 T CB 1.531 70.453 68.868 0.091 0.000 1.079 127 T HN 1.510 nan 8.240 nan 0.000 0.496 128 G N -0.514 108.461 108.800 0.291 0.000 2.732 128 G HA2 0.685 4.639 3.960 -0.010 0.000 0.296 128 G HA3 0.685 4.639 3.960 -0.010 0.000 0.296 128 G C -1.555 173.486 174.900 0.234 0.000 1.448 128 G CA -0.581 44.718 45.100 0.332 0.000 0.911 128 G HN 1.063 nan 8.290 nan 0.000 0.528 129 A N 0.796 123.733 122.820 0.196 0.000 2.330 129 A HA 0.939 5.254 4.320 -0.010 0.000 0.313 129 A C 0.348 177.998 177.584 0.111 0.000 1.124 129 A CA 0.116 52.221 52.037 0.113 0.000 0.774 129 A CB 1.510 20.600 19.000 0.149 0.000 1.198 129 A HN 1.797 nan 8.150 nan 0.000 0.465 130 T N -1.389 113.206 114.554 0.069 0.000 2.807 130 T HA 0.686 5.030 4.350 -0.010 0.000 0.277 130 T C 1.352 176.068 174.700 0.027 0.000 1.006 130 T CA 0.690 62.825 62.100 0.058 0.000 1.006 130 T CB 0.647 69.558 68.868 0.072 0.000 1.274 130 T HN 1.078 nan 8.240 nan 0.000 0.569 131 E N 0.849 121.062 120.200 0.021 0.000 2.086 131 E HA -0.247 4.097 4.350 -0.010 0.000 0.205 131 E C 1.453 178.051 176.600 -0.004 0.000 1.027 131 E CA 2.335 58.741 56.400 0.009 0.000 0.830 131 E CB -1.298 28.406 29.700 0.006 0.000 0.751 131 E HN 0.928 nan 8.360 nan 0.000 0.456 132 D N -1.194 119.199 120.400 -0.011 0.000 2.433 132 D HA 0.097 4.732 4.640 -0.010 0.000 0.211 132 D C 0.793 177.060 176.300 -0.055 0.000 1.114 132 D CA 0.442 54.424 54.000 -0.029 0.000 0.837 132 D CB 0.039 40.825 40.800 -0.024 0.000 0.984 132 D HN 0.636 nan 8.370 nan 0.000 0.505 133 R N -1.722 118.740 120.500 -0.064 0.000 2.829 133 R HA 0.451 4.785 4.340 -0.010 0.000 0.284 133 R C -2.229 173.996 176.300 -0.124 0.000 1.006 133 R CA -0.859 55.176 56.100 -0.109 0.000 0.844 133 R CB 0.405 30.643 30.300 -0.103 0.000 1.309 133 R HN -0.164 nan 8.270 nan 0.000 0.494 134 V N 0.328 120.131 119.914 -0.186 0.000 2.495 134 V HA 0.858 4.972 4.120 -0.010 0.000 0.298 134 V C -0.334 175.639 176.094 -0.203 0.000 1.031 134 V CA -0.211 61.982 62.300 -0.179 0.000 0.871 134 V CB 1.235 32.898 31.823 -0.266 0.000 0.988 134 V HN 0.961 nan 8.190 nan 0.000 0.432 135 A N 4.116 126.817 122.820 -0.198 0.000 2.539 135 A HA 0.896 5.210 4.320 -0.010 0.000 0.296 135 A C -1.450 175.853 177.584 -0.469 0.000 1.073 135 A CA -0.639 51.136 52.037 -0.437 0.000 0.700 135 A CB 1.771 20.319 19.000 -0.753 0.000 1.296 135 A HN 0.861 nan 8.150 nan 0.000 0.405 136 L N 1.182 122.098 121.223 -0.512 0.000 2.289 136 L HA 0.748 5.083 4.340 -0.010 0.000 0.285 136 L C -1.468 175.058 176.870 -0.574 0.000 1.049 136 L CA -0.015 54.596 54.840 -0.383 0.000 0.804 136 L CB 0.484 42.403 42.059 -0.233 0.000 1.195 136 L HN 0.626 nan 8.230 nan 0.000 0.428 137 Y N 3.309 123.325 120.300 -0.472 0.000 2.536 137 Y HA 0.800 5.344 4.550 -0.010 0.000 0.347 137 Y C -0.048 175.596 175.900 -0.427 0.000 1.000 137 Y CA -0.700 57.059 58.100 -0.568 0.000 1.051 137 Y CB 2.243 40.024 38.460 -1.132 0.000 1.259 137 Y HN 0.719 nan 8.280 nan 0.000 0.468 138 A N 2.631 125.439 122.820 -0.021 0.000 2.356 138 A HA 0.732 5.046 4.320 -0.010 0.000 0.310 138 A C -2.165 175.491 177.584 0.120 0.000 1.075 138 A CA -0.584 51.484 52.037 0.052 0.000 0.746 138 A CB 1.185 20.206 19.000 0.035 0.000 1.221 138 A HN 0.620 nan 8.150 nan 0.000 0.443 139 L N 3.101 124.432 121.223 0.179 0.000 2.356 139 L HA 0.827 5.161 4.340 -0.010 0.000 0.277 139 L C -0.960 175.966 176.870 0.094 0.000 0.996 139 L CA -0.125 54.809 54.840 0.156 0.000 0.822 139 L CB 1.597 43.787 42.059 0.217 0.000 1.256 139 L HN 0.888 nan 8.230 nan 0.000 0.413 140 D N 2.183 122.620 120.400 0.062 0.000 2.744 140 D HA 0.392 5.026 4.640 -0.010 0.000 0.304 140 D C 0.839 177.156 176.300 0.028 0.000 1.179 140 D CA -0.108 53.916 54.000 0.040 0.000 1.024 140 D CB 0.620 41.441 40.800 0.035 0.000 1.453 140 D HN 0.466 nan 8.370 nan 0.000 0.529 141 G N -1.122 107.690 108.800 0.020 0.000 2.499 141 G HA2 -0.043 3.912 3.960 -0.010 0.000 0.221 141 G HA3 -0.043 3.912 3.960 -0.010 0.000 0.221 141 G C 1.170 176.078 174.900 0.013 0.000 1.109 141 G CA 0.821 45.930 45.100 0.014 0.000 0.749 141 G HN 0.637 nan 8.290 nan 0.000 0.568 142 G N -0.818 107.992 108.800 0.016 0.000 2.777 142 G HA2 0.462 4.417 3.960 -0.010 0.000 0.211 142 G HA3 0.462 4.417 3.960 -0.010 0.000 0.211 142 G C 0.726 175.636 174.900 0.017 0.000 1.149 142 G CA 0.684 45.793 45.100 0.015 0.000 0.785 142 G HN 1.227 nan 8.290 nan 0.000 0.536 143 G N -1.094 107.720 108.800 0.023 0.000 2.346 143 G HA2 0.273 4.227 3.960 -0.010 0.000 0.294 143 G HA3 0.273 4.227 3.960 -0.010 0.000 0.294 143 G C -1.630 173.297 174.900 0.046 0.000 1.294 143 G CA -0.496 44.620 45.100 0.027 0.000 0.962 143 G HN 0.676 nan 8.290 nan 0.000 0.508 144 L N 0.396 121.651 121.223 0.053 0.000 2.312 144 L HA 0.883 5.218 4.340 -0.010 0.000 0.281 144 L C 0.477 177.400 176.870 0.087 0.000 1.070 144 L CA -0.378 54.514 54.840 0.085 0.000 0.805 144 L CB 0.943 43.047 42.059 0.076 0.000 1.174 144 L HN 0.652 nan 8.230 nan 0.000 0.434 145 R N 3.231 123.794 120.500 0.104 0.000 2.686 145 R HA 0.351 4.685 4.340 -0.010 0.000 0.283 145 R C -1.146 175.196 176.300 0.071 0.000 0.978 145 R CA -0.773 55.369 56.100 0.070 0.000 0.897 145 R CB 1.850 32.165 30.300 0.025 0.000 1.192 145 R HN 0.628 nan 8.270 nan 0.000 0.457 146 E N 3.616 123.814 120.200 -0.004 0.000 2.180 146 E HA 0.061 4.405 4.350 -0.010 0.000 0.283 146 E C 0.334 176.811 176.600 -0.205 0.000 1.061 146 E CA -0.110 56.157 56.400 -0.222 0.000 0.861 146 E CB 0.712 30.265 29.700 -0.244 0.000 1.056 146 E HN 0.541 nan 8.360 nan 0.000 0.407 147 L N 3.236 124.308 121.223 -0.251 0.000 2.162 147 L HA 0.241 4.575 4.340 -0.010 0.000 0.205 147 L C 0.760 177.514 176.870 -0.195 0.000 1.086 147 L CA 0.493 55.230 54.840 -0.171 0.000 0.778 147 L CB 0.004 41.986 42.059 -0.129 0.000 0.928 147 L HN 0.516 nan 8.230 nan 0.000 0.446 148 A N -0.357 122.296 122.820 -0.280 0.000 2.594 148 A HA 0.565 4.879 4.320 -0.010 0.000 0.296 148 A C -0.956 176.424 177.584 -0.339 0.000 1.061 148 A CA -0.638 51.233 52.037 -0.276 0.000 0.689 148 A CB 1.110 19.950 19.000 -0.266 0.000 1.280 148 A HN 0.040 nan 8.150 nan 0.000 0.406 149 R N 1.244 121.565 120.500 -0.299 0.000 2.234 149 R HA 0.509 4.843 4.340 -0.010 0.000 0.324 149 R C -0.748 175.336 176.300 -0.359 0.000 1.054 149 R CA -0.258 55.660 56.100 -0.304 0.000 0.912 149 R CB 0.667 30.823 30.300 -0.240 0.000 1.030 149 R HN 0.640 nan 8.270 nan 0.000 0.455 150 L N 5.263 126.257 121.223 -0.382 0.000 2.350 150 L HA 0.318 4.652 4.340 -0.010 0.000 0.275 150 L C -1.478 175.095 176.870 -0.495 0.000 1.099 150 L CA -2.011 52.525 54.840 -0.508 0.000 0.808 150 L CB 1.241 43.096 42.059 -0.341 0.000 1.149 150 L HN 0.409 nan 8.230 nan 0.000 0.442 151 P HA 0.171 nan 4.420 nan 0.000 0.253 151 P C 0.170 177.342 177.300 -0.214 0.000 1.508 151 P CA 0.149 62.974 63.100 -0.459 0.000 0.883 151 P CB 0.311 31.717 31.700 -0.490 0.000 1.519 152 G N -0.897 107.834 108.800 -0.116 0.000 2.324 152 G HA2 0.213 4.167 3.960 -0.010 0.000 0.293 152 G HA3 0.213 4.167 3.960 -0.010 0.000 0.293 152 G C -1.476 173.493 174.900 0.115 0.000 1.297 152 G CA -0.973 44.178 45.100 0.085 0.000 0.853 152 G HN -0.142 nan 8.290 nan 0.000 0.535 153 F N 0.778 120.878 119.950 0.249 0.000 2.607 153 F HA 0.471 4.993 4.527 -0.009 0.000 0.374 153 F C 1.343 177.267 175.800 0.207 0.000 1.104 153 F CA 1.710 59.782 58.000 0.121 0.000 1.296 153 F CB 1.145 40.202 39.000 0.094 0.000 1.085 153 F HN 0.734 nan 8.300 nan 0.000 0.584 154 G N 2.088 110.874 108.800 -0.023 0.000 2.704 154 G HA2 0.688 4.642 3.960 -0.010 0.000 0.293 154 G HA3 0.688 4.642 3.960 -0.010 0.000 0.293 154 G C -2.168 172.471 174.900 -0.435 0.000 1.421 154 G CA -0.764 44.372 45.100 0.061 0.000 0.870 154 G HN 0.312 nan 8.290 nan 0.000 0.492 155 F N -0.062 120.158 119.950 0.450 0.000 2.569 155 F HA 0.493 5.014 4.527 -0.009 0.000 0.312 155 F C 0.162 176.134 175.800 0.287 0.000 1.109 155 F CA -1.017 57.183 58.000 0.333 0.000 0.919 155 F CB 2.407 41.556 39.000 0.249 0.000 1.211 155 F HN 0.299 nan 8.300 nan 0.000 0.446 156 V N 2.300 122.453 119.914 0.397 0.000 2.508 156 V HA 0.145 4.259 4.120 -0.010 0.000 0.281 156 V C 0.422 176.629 176.094 0.187 0.000 1.041 156 V CA 0.365 62.824 62.300 0.264 0.000 1.016 156 V CB 1.083 33.060 31.823 0.257 0.000 0.984 156 V HN 0.995 nan 8.190 nan 0.000 0.478 157 S N 2.323 118.062 115.700 0.065 0.000 2.468 157 S HA 0.140 4.604 4.470 -0.010 0.000 0.226 157 S C 0.255 174.898 174.600 0.073 0.000 1.051 157 S CA 0.254 58.485 58.200 0.052 0.000 0.943 157 S CB 0.144 63.312 63.200 -0.052 0.000 0.810 157 S HN 0.939 nan 8.310 nan 0.000 0.509 158 D N -0.796 119.641 120.400 0.062 0.000 2.685 158 D HA 0.415 5.050 4.640 -0.010 0.000 0.236 158 D C -1.745 174.624 176.300 0.116 0.000 1.233 158 D CA -0.315 53.745 54.000 0.100 0.000 0.760 158 D CB 1.474 42.300 40.800 0.044 0.000 1.410 158 D HN -0.087 nan 8.370 nan 0.000 0.439 159 I N 1.574 122.261 120.570 0.195 0.000 2.582 159 I HA 0.703 4.867 4.170 -0.010 0.000 0.292 159 I C -0.245 176.002 176.117 0.217 0.000 1.066 159 I CA -0.792 60.620 61.300 0.187 0.000 1.053 159 I CB 1.812 39.922 38.000 0.183 0.000 1.241 159 I HN 0.516 nan 8.210 nan 0.000 0.421 160 R N 2.236 122.813 120.500 0.128 0.000 2.510 160 R HA 0.573 4.907 4.340 -0.010 0.000 0.287 160 R C 0.810 177.152 176.300 0.070 0.000 1.084 160 R CA 0.581 56.741 56.100 0.100 0.000 0.934 160 R CB 1.688 31.991 30.300 0.004 0.000 1.201 160 R HN 1.312 nan 8.270 nan 0.000 0.431 161 G N 3.800 112.651 108.800 0.084 0.000 2.646 161 G HA2 -0.443 3.511 3.960 -0.010 0.000 0.324 161 G HA3 -0.443 3.511 3.960 -0.010 0.000 0.324 161 G C 0.457 175.388 174.900 0.052 0.000 1.195 161 G CA 0.994 46.127 45.100 0.056 0.000 0.976 161 G HN 0.673 nan 8.290 nan 0.000 0.546 162 D N -0.394 120.029 120.400 0.038 0.000 2.379 162 D HA 0.320 4.955 4.640 -0.010 0.000 0.208 162 D C 0.766 177.091 176.300 0.042 0.000 1.065 162 D CA -0.078 53.944 54.000 0.036 0.000 0.848 162 D CB 0.105 40.921 40.800 0.026 0.000 0.949 162 D HN 0.355 nan 8.370 nan 0.000 0.509 163 L N 1.339 122.587 121.223 0.041 0.000 2.275 163 L HA 0.482 4.816 4.340 -0.010 0.000 0.288 163 L C -0.840 176.064 176.870 0.057 0.000 1.046 163 L CA -0.359 54.507 54.840 0.042 0.000 0.805 163 L CB 1.029 43.098 42.059 0.017 0.000 1.193 163 L HN -0.101 nan 8.230 nan 0.000 0.426 164 I N 4.916 125.532 120.570 0.076 0.000 2.404 164 I HA 0.698 4.862 4.170 -0.010 0.000 0.293 164 I C -0.147 176.003 176.117 0.055 0.000 0.992 164 I CA -0.430 60.925 61.300 0.092 0.000 1.149 164 I CB 1.774 39.862 38.000 0.146 0.000 1.315 164 I HN 0.783 nan 8.210 nan 0.000 0.446 165 A N 4.179 126.978 122.820 -0.036 0.000 2.374 165 A HA 0.985 5.299 4.320 -0.010 0.000 0.317 165 A C -0.297 177.039 177.584 -0.414 0.000 1.094 165 A CA -0.425 51.483 52.037 -0.216 0.000 0.765 165 A CB 1.674 20.561 19.000 -0.188 0.000 1.268 165 A HN 0.849 nan 8.150 nan 0.000 0.438 166 G N -0.429 107.816 108.800 -0.926 0.000 2.663 166 G HA2 0.592 4.547 3.960 -0.010 0.000 0.299 166 G HA3 0.592 4.547 3.960 -0.010 0.000 0.299 166 G C -1.828 172.539 174.900 -0.887 0.000 1.372 166 G CA -0.636 43.827 45.100 -1.061 0.000 0.781 166 G HN 0.771 nan 8.290 nan 0.000 0.491 167 L N -0.183 120.869 121.223 -0.286 0.000 2.381 167 L HA 0.809 5.144 4.340 -0.010 0.000 0.268 167 L C 0.301 177.274 176.870 0.170 0.000 0.997 167 L CA -0.785 54.027 54.840 -0.047 0.000 0.818 167 L CB 2.537 44.594 42.059 -0.002 0.000 1.310 167 L HN 0.858 nan 8.230 nan 0.000 0.416 168 G N 0.789 109.448 108.800 -0.235 0.000 2.620 168 G HA2 0.620 4.574 3.960 -0.010 0.000 0.301 168 G HA3 0.620 4.574 3.960 -0.010 0.000 0.301 168 G C -1.502 173.024 174.900 -0.622 0.000 1.347 168 G CA -0.354 44.276 45.100 -0.783 0.000 0.971 168 G HN 0.288 nan 8.290 nan 0.000 0.488 169 F N 2.093 121.968 119.950 -0.125 0.000 2.467 169 F HA 0.368 4.889 4.527 -0.010 0.000 0.349 169 F C 0.563 176.553 175.800 0.316 0.000 1.182 169 F CA -0.537 57.545 58.000 0.138 0.000 1.279 169 F CB 0.215 39.398 39.000 0.305 0.000 1.626 169 F HN 0.429 nan 8.300 nan 0.000 0.596 170 F N 0.784 120.892 119.950 0.263 0.000 2.647 170 F HA 0.465 4.987 4.527 -0.009 0.000 0.300 170 F C 1.209 177.089 175.800 0.134 0.000 1.106 170 F CA -0.295 57.806 58.000 0.169 0.000 1.313 170 F CB 0.331 39.402 39.000 0.118 0.000 1.007 170 F HN 0.473 nan 8.300 nan 0.000 0.536 171 G N -0.854 108.141 108.800 0.324 0.000 2.359 171 G HA2 0.254 4.208 3.960 -0.010 0.000 0.303 171 G HA3 0.254 4.208 3.960 -0.010 0.000 0.303 171 G C 0.382 175.388 174.900 0.177 0.000 1.293 171 G CA -0.372 44.859 45.100 0.219 0.000 0.964 171 G HN 0.457 nan 8.290 nan 0.000 0.531 172 G N -0.918 107.963 108.800 0.135 0.000 2.219 172 G HA2 0.224 4.178 3.960 -0.010 0.000 0.271 172 G HA3 0.224 4.178 3.960 -0.010 0.000 0.271 172 G C 2.347 177.309 174.900 0.103 0.000 0.991 172 G CA 1.540 46.703 45.100 0.105 0.000 0.685 172 G HN 2.915 nan 8.290 nan 0.000 0.531 173 G N -2.285 106.599 108.800 0.140 0.000 2.186 173 G HA2 -0.130 3.824 3.960 -0.010 0.000 0.266 173 G HA3 -0.130 3.824 3.960 -0.010 0.000 0.266 173 G C 0.482 175.442 174.900 0.100 0.000 0.982 173 G CA 1.562 46.748 45.100 0.144 0.000 0.670 173 G HN 1.469 nan 8.290 nan 0.000 0.533 174 R N -1.754 118.785 120.500 0.065 0.000 2.828 174 R HA 0.712 5.047 4.340 -0.010 0.000 0.264 174 R C 0.189 176.439 176.300 -0.083 0.000 1.022 174 R CA -0.155 55.941 56.100 -0.006 0.000 1.021 174 R CB 1.890 32.192 30.300 0.005 0.000 1.163 174 R HN 0.553 nan 8.270 nan 0.000 0.494 175 V N 1.657 121.463 119.914 -0.179 0.000 2.432 175 V HA 0.379 4.493 4.120 -0.010 0.000 0.275 175 V C 0.395 176.474 176.094 -0.025 0.000 1.043 175 V CA -0.279 61.842 62.300 -0.299 0.000 0.925 175 V CB 1.631 33.194 31.823 -0.433 0.000 0.985 175 V HN 0.870 nan 8.190 nan 0.000 0.466 176 S N 4.024 119.696 115.700 -0.047 0.000 2.654 176 S HA 0.651 5.116 4.470 -0.010 0.000 0.283 176 S C -0.416 174.199 174.600 0.026 0.000 1.180 176 S CA -0.459 57.819 58.200 0.130 0.000 1.021 176 S CB 1.547 64.835 63.200 0.145 0.000 1.018 176 S HN 0.548 nan 8.310 nan 0.000 0.532 177 L N 3.292 124.467 121.223 -0.080 0.000 2.350 177 L HA 0.663 4.997 4.340 -0.010 0.000 0.275 177 L C -0.820 176.166 176.870 0.194 0.000 1.099 177 L CA -0.079 54.604 54.840 -0.262 0.000 0.808 177 L CB 0.210 41.776 42.059 -0.822 0.000 1.149 177 L HN 0.613 nan 8.230 nan 0.000 0.442 178 F N 0.969 121.004 119.950 0.141 0.000 2.603 178 F HA 0.916 5.437 4.527 -0.010 0.000 0.317 178 F C -0.557 175.387 175.800 0.240 0.000 1.066 178 F CA -0.537 57.623 58.000 0.267 0.000 0.941 178 F CB 1.428 40.608 39.000 0.299 0.000 1.291 178 F HN 0.575 nan 8.300 nan 0.000 0.472 179 T N -0.959 113.944 114.554 0.581 0.000 2.906 179 T HA 0.771 5.115 4.350 -0.010 0.000 0.295 179 T C -0.939 173.991 174.700 0.384 0.000 1.075 179 T CA -0.596 61.738 62.100 0.390 0.000 1.005 179 T CB 1.578 70.611 68.868 0.274 0.000 1.136 179 T HN 1.011 nan 8.240 nan 0.000 0.498 180 S N 0.252 116.119 115.700 0.277 0.000 2.819 180 S HA 0.744 5.209 4.470 -0.010 0.000 0.299 180 S C -1.727 172.939 174.600 0.109 0.000 1.192 180 S CA -0.871 57.428 58.200 0.164 0.000 0.847 180 S CB 1.245 64.533 63.200 0.147 0.000 1.224 180 S HN 0.895 nan 8.310 nan 0.000 0.537 181 N N 0.520 119.259 118.700 0.066 0.000 2.242 181 N HA 0.415 5.149 4.740 -0.010 0.000 0.292 181 N C 0.008 175.539 175.510 0.036 0.000 1.125 181 N CA -0.709 52.371 53.050 0.050 0.000 0.783 181 N CB 1.562 40.070 38.487 0.036 0.000 1.558 181 N HN 0.355 nan 8.380 nan 0.000 0.472 182 L N 1.508 122.754 121.223 0.038 0.000 2.141 182 L HA -0.045 4.289 4.340 -0.010 0.000 0.209 182 L C 1.785 178.666 176.870 0.018 0.000 1.094 182 L CA 1.786 56.644 54.840 0.030 0.000 0.763 182 L CB -0.779 41.301 42.059 0.036 0.000 0.908 182 L HN 0.772 nan 8.230 nan 0.000 0.437 183 S N -1.391 114.319 115.700 0.016 0.000 2.317 183 S HA -0.106 4.358 4.470 -0.010 0.000 0.212 183 S C 1.840 176.441 174.600 0.001 0.000 1.030 183 S CA 0.989 59.194 58.200 0.009 0.000 0.970 183 S CB -1.007 62.199 63.200 0.010 0.000 0.928 183 S HN 0.558 nan 8.310 nan 0.000 0.451 184 S N 0.675 116.375 115.700 -0.001 0.000 2.517 184 S HA 0.540 5.004 4.470 -0.010 0.000 0.214 184 S C 1.387 175.974 174.600 -0.022 0.000 0.991 184 S CA 0.260 58.454 58.200 -0.010 0.000 0.906 184 S CB -0.660 62.536 63.200 -0.008 0.000 0.789 184 S HN 1.398 nan 8.310 nan 0.000 0.513 185 G N 1.220 110.008 108.800 -0.019 0.000 2.539 185 G HA2 0.283 4.237 3.960 -0.010 0.000 0.256 185 G HA3 0.283 4.237 3.960 -0.010 0.000 0.256 185 G C 0.442 175.320 174.900 -0.035 0.000 1.233 185 G CA -0.259 44.818 45.100 -0.038 0.000 0.936 185 G HN 2.046 nan 8.290 nan 0.000 0.571 186 G N -2.391 106.369 108.800 -0.066 0.000 2.757 186 G HA2 0.426 4.380 3.960 -0.010 0.000 0.638 186 G HA3 0.426 4.380 3.960 -0.010 0.000 0.638 186 G C -0.808 174.053 174.900 -0.065 0.000 1.344 186 G CA 0.291 45.350 45.100 -0.067 0.000 0.855 186 G HN 2.292 nan 8.290 nan 0.000 0.537 187 L N -0.320 120.860 121.223 -0.072 0.000 2.562 187 L HA 0.813 5.147 4.340 -0.010 0.000 0.266 187 L C -0.206 176.628 176.870 -0.060 0.000 0.949 187 L CA -0.551 54.249 54.840 -0.067 0.000 0.879 187 L CB 1.957 43.907 42.059 -0.181 0.000 1.278 187 L HN 1.017 nan 8.230 nan 0.000 0.404 188 R N 3.470 123.964 120.500 -0.010 0.000 2.589 188 R HA 0.906 5.241 4.340 -0.010 0.000 0.293 188 R C -1.740 174.431 176.300 -0.215 0.000 0.963 188 R CA -0.592 55.403 56.100 -0.174 0.000 0.905 188 R CB 1.882 32.050 30.300 -0.220 0.000 1.144 188 R HN 0.472 nan 8.270 nan 0.000 0.459 189 V N 5.014 124.697 119.914 -0.384 0.000 2.540 189 V HA 0.516 4.630 4.120 -0.010 0.000 0.302 189 V C -1.118 174.694 176.094 -0.469 0.000 1.035 189 V CA -0.646 61.556 62.300 -0.164 0.000 0.873 189 V CB 1.509 33.374 31.823 0.069 0.000 0.992 189 V HN 0.587 nan 8.190 nan 0.000 0.428 190 F N 1.848 121.846 119.950 0.081 0.000 2.467 190 F HA 0.548 5.069 4.527 -0.010 0.000 0.336 190 F C 0.102 175.992 175.800 0.150 0.000 1.123 190 F CA -0.890 57.145 58.000 0.059 0.000 0.964 190 F CB 1.391 40.360 39.000 -0.051 0.000 1.136 190 F HN 0.410 nan 8.300 nan 0.000 0.447 191 D N 0.620 121.217 120.400 0.328 0.000 2.225 191 D HA 0.326 4.961 4.640 -0.010 0.000 0.249 191 D C 0.734 177.263 176.300 0.381 0.000 1.052 191 D CA -0.004 54.178 54.000 0.303 0.000 0.909 191 D CB 1.626 42.535 40.800 0.181 0.000 1.186 191 D HN 0.431 nan 8.370 nan 0.000 0.431 192 S N 1.290 117.165 115.700 0.292 0.000 2.368 192 S HA 0.168 4.632 4.470 -0.010 0.000 0.224 192 S C 1.465 176.046 174.600 -0.033 0.000 1.029 192 S CA 0.595 58.811 58.200 0.027 0.000 0.988 192 S CB -0.675 62.474 63.200 -0.085 0.000 0.838 192 S HN 0.856 nan 8.310 nan 0.000 0.462 193 G N 2.338 111.153 108.800 0.026 0.000 2.559 193 G HA2 -0.435 3.519 3.960 -0.010 0.000 0.282 193 G HA3 -0.435 3.519 3.960 -0.010 0.000 0.282 193 G C 0.894 175.782 174.900 -0.020 0.000 1.177 193 G CA 0.584 45.692 45.100 0.014 0.000 0.960 193 G HN 0.506 nan 8.290 nan 0.000 0.540 194 E N 0.795 120.974 120.200 -0.035 0.000 2.068 194 E HA 0.052 4.396 4.350 -0.010 0.000 0.207 194 E C 1.786 178.343 176.600 -0.072 0.000 1.032 194 E CA 2.134 58.506 56.400 -0.047 0.000 0.839 194 E CB -0.589 29.081 29.700 -0.051 0.000 0.758 194 E HN 1.222 nan 8.360 nan 0.000 0.457 195 G N -0.041 108.683 108.800 -0.126 0.000 3.099 195 G HA2 0.441 4.395 3.960 -0.010 0.000 0.151 195 G HA3 0.441 4.395 3.960 -0.010 0.000 0.151 195 G C -1.012 173.773 174.900 -0.191 0.000 1.265 195 G CA -0.086 44.919 45.100 -0.158 0.000 0.981 195 G HN 0.216 nan 8.290 nan 0.000 0.601 196 S N -1.360 114.190 115.700 -0.249 0.000 2.572 196 S HA 0.598 5.062 4.470 -0.010 0.000 0.274 196 S C -1.535 172.909 174.600 -0.259 0.000 1.150 196 S CA -0.687 57.385 58.200 -0.213 0.000 0.944 196 S CB 0.621 63.744 63.200 -0.128 0.000 1.071 196 S HN 0.283 nan 8.310 nan 0.000 0.479 197 F N 2.783 122.679 119.950 -0.090 0.000 2.399 197 F HA 0.323 4.844 4.527 -0.009 0.000 0.342 197 F C 1.772 177.507 175.800 -0.108 0.000 1.106 197 F CA 0.249 58.196 58.000 -0.088 0.000 1.196 197 F CB 1.670 40.618 39.000 -0.087 0.000 1.163 197 F HN 0.726 nan 8.300 nan 0.000 0.547 198 S N -0.472 115.290 115.700 0.104 0.000 2.604 198 S HA 0.339 4.803 4.470 -0.010 0.000 0.235 198 S C -0.205 174.410 174.600 0.025 0.000 1.043 198 S CA 0.328 58.546 58.200 0.031 0.000 0.997 198 S CB -0.050 63.164 63.200 0.024 0.000 0.956 198 S HN 0.623 nan 8.310 nan 0.000 0.535 199 S N -0.175 115.540 115.700 0.024 0.000 2.614 199 S HA 0.757 5.221 4.470 -0.010 0.000 0.280 199 S C -1.180 173.371 174.600 -0.081 0.000 1.111 199 S CA -0.498 57.680 58.200 -0.038 0.000 0.847 199 S CB 0.886 64.057 63.200 -0.048 0.000 1.079 199 S HN 1.440 nan 8.310 nan 0.000 0.452 200 A N 0.623 123.354 122.820 -0.148 0.000 2.540 200 A HA 0.911 5.226 4.320 -0.010 0.000 0.297 200 A C -0.657 176.822 177.584 -0.174 0.000 1.056 200 A CA -0.376 51.563 52.037 -0.164 0.000 0.700 200 A CB 1.567 20.454 19.000 -0.189 0.000 1.280 200 A HN 1.539 nan 8.150 nan 0.000 0.398 201 S N 0.981 116.599 115.700 -0.136 0.000 2.564 201 S HA 0.772 5.236 4.470 -0.010 0.000 0.274 201 S C -1.084 173.550 174.600 0.056 0.000 1.124 201 S CA -0.483 57.691 58.200 -0.043 0.000 0.869 201 S CB 0.858 64.019 63.200 -0.066 0.000 1.105 201 S HN 0.641 nan 8.310 nan 0.000 0.472 202 I N 3.409 123.992 120.570 0.022 0.000 2.353 202 I HA 0.321 4.486 4.170 -0.010 0.000 0.293 202 I C 0.658 176.584 176.117 -0.318 0.000 0.992 202 I CA -0.356 60.891 61.300 -0.088 0.000 1.268 202 I CB 1.805 39.758 38.000 -0.078 0.000 1.387 202 I HN 0.684 nan 8.210 nan 0.000 0.478 203 S N 5.878 121.287 115.700 -0.486 0.000 2.617 203 S HA 0.352 4.816 4.470 -0.010 0.000 0.269 203 S C -1.892 172.367 174.600 -0.568 0.000 1.292 203 S CA -1.135 56.471 58.200 -0.990 0.000 1.010 203 S CB 1.197 64.067 63.200 -0.550 0.000 0.944 203 S HN 0.373 nan 8.310 nan 0.000 0.536 204 P HA 0.008 nan 4.420 nan 0.000 0.218 204 P C 1.224 178.412 177.300 -0.187 0.000 1.146 204 P CA 1.481 64.418 63.100 -0.272 0.000 0.813 204 P CB -0.353 31.224 31.700 -0.205 0.000 0.778 205 G N -1.586 107.100 108.800 -0.189 0.000 3.181 205 G HA2 0.021 3.976 3.960 -0.010 0.000 0.219 205 G HA3 0.021 3.976 3.960 -0.010 0.000 0.219 205 G C 0.519 175.353 174.900 -0.109 0.000 1.182 205 G CA -0.085 44.943 45.100 -0.121 0.000 0.791 205 G HN 0.003 nan 8.290 nan 0.000 0.537 206 M N -0.547 118.973 119.600 -0.132 0.000 2.751 206 M HA -0.135 4.340 4.480 -0.010 0.000 0.199 206 M C -0.107 176.134 176.300 -0.099 0.000 0.550 206 M CA 0.977 56.215 55.300 -0.102 0.000 0.640 206 M CB -2.275 30.287 32.600 -0.063 0.000 2.351 206 M HN 0.261 nan 8.290 nan 0.000 0.613 207 K N 0.221 120.549 120.400 -0.120 0.000 2.095 207 K HA 0.710 5.024 4.320 -0.010 0.000 0.252 207 K C 0.252 176.776 176.600 -0.127 0.000 0.977 207 K CA -0.709 55.510 56.287 -0.112 0.000 0.900 207 K CB 2.086 34.532 32.500 -0.091 0.000 1.060 207 K HN 0.018 nan 8.250 nan 0.000 0.449 208 V N 2.189 122.009 119.914 -0.158 0.000 2.383 208 V HA 0.126 4.240 4.120 -0.010 0.000 0.275 208 V C 0.063 176.080 176.094 -0.128 0.000 1.036 208 V CA -0.516 61.685 62.300 -0.166 0.000 0.889 208 V CB 1.235 32.898 31.823 -0.268 0.000 0.985 208 V HN 0.706 nan 8.190 nan 0.000 0.459 209 T N 4.867 119.394 114.554 -0.045 0.000 2.806 209 T HA 0.700 5.045 4.350 -0.010 0.000 0.290 209 T C 0.087 174.739 174.700 -0.081 0.000 0.966 209 T CA -0.127 61.954 62.100 -0.033 0.000 1.060 209 T CB 1.326 70.214 68.868 0.032 0.000 0.927 209 T HN 0.959 nan 8.240 nan 0.000 0.485 210 A N 2.101 124.893 122.820 -0.046 0.000 2.486 210 A HA 0.796 5.111 4.320 -0.010 0.000 0.300 210 A C 0.138 177.773 177.584 0.084 0.000 1.048 210 A CA -0.854 51.191 52.037 0.014 0.000 0.696 210 A CB 1.438 20.468 19.000 0.051 0.000 1.278 210 A HN 0.947 nan 8.150 nan 0.000 0.405 211 G N 0.361 109.207 108.800 0.077 0.000 2.349 211 G HA2 0.517 4.471 3.960 -0.010 0.000 0.281 211 G HA3 0.517 4.471 3.960 -0.010 0.000 0.281 211 G C -0.770 174.169 174.900 0.064 0.000 1.182 211 G CA -0.106 45.034 45.100 0.066 0.000 0.899 211 G HN 0.906 nan 8.290 nan 0.000 0.455 212 L N 2.267 123.470 121.223 -0.033 0.000 2.294 212 L HA 0.453 4.788 4.340 -0.010 0.000 0.283 212 L C 0.115 176.895 176.870 -0.150 0.000 1.015 212 L CA -0.565 54.137 54.840 -0.231 0.000 0.831 212 L CB 1.140 43.005 42.059 -0.325 0.000 1.217 212 L HN 0.551 nan 8.230 nan 0.000 0.420 213 E N 2.967 123.073 120.200 -0.156 0.000 2.283 213 E HA 0.474 4.818 4.350 -0.010 0.000 0.278 213 E C -0.217 176.309 176.600 -0.123 0.000 1.027 213 E CA -0.194 56.144 56.400 -0.103 0.000 0.843 213 E CB 1.112 30.769 29.700 -0.071 0.000 1.062 213 E HN 0.753 nan 8.360 nan 0.000 0.401 214 T N -1.485 113.016 114.554 -0.089 0.000 2.676 214 T HA 0.511 4.856 4.350 -0.010 0.000 0.269 214 T C 0.948 175.616 174.700 -0.054 0.000 0.952 214 T CA -0.262 61.789 62.100 -0.082 0.000 1.040 214 T CB 1.044 69.867 68.868 -0.076 0.000 1.352 214 T HN 0.306 nan 8.240 nan 0.000 0.554 215 A N -0.294 122.501 122.820 -0.041 0.000 2.172 215 A HA 0.181 4.495 4.320 -0.010 0.000 0.216 215 A C 2.050 179.629 177.584 -0.009 0.000 1.154 215 A CA 0.845 52.870 52.037 -0.020 0.000 0.701 215 A CB -0.626 18.365 19.000 -0.014 0.000 0.789 215 A HN 0.771 nan 8.150 nan 0.000 0.465 216 R N -1.831 118.654 120.500 -0.025 0.000 3.953 216 R HA 0.288 4.622 4.340 -0.010 0.000 0.120 216 R C -0.328 175.944 176.300 -0.047 0.000 1.633 216 R CA -0.327 55.757 56.100 -0.026 0.000 1.197 216 R CB 0.376 30.661 30.300 -0.026 0.000 1.240 216 R HN 0.318 nan 8.270 nan 0.000 0.431 217 E N 0.472 120.637 120.200 -0.059 0.000 2.202 217 E HA 0.541 4.885 4.350 -0.010 0.000 0.272 217 E C -1.306 175.253 176.600 -0.069 0.000 0.951 217 E CA -0.593 55.760 56.400 -0.079 0.000 0.813 217 E CB 2.046 31.690 29.700 -0.094 0.000 1.151 217 E HN 0.355 nan 8.360 nan 0.000 0.398 218 A N 2.956 125.737 122.820 -0.066 0.000 2.302 218 A HA 0.641 4.955 4.320 -0.010 0.000 0.285 218 A C -0.253 177.327 177.584 -0.007 0.000 1.105 218 A CA -0.363 51.655 52.037 -0.033 0.000 0.816 218 A CB 0.512 19.514 19.000 0.003 0.000 1.067 218 A HN 0.750 nan 8.150 nan 0.000 0.489 219 R N 0.702 121.218 120.500 0.028 0.000 2.764 219 R HA 0.681 5.015 4.340 -0.010 0.000 0.270 219 R C -1.903 174.452 176.300 0.092 0.000 1.014 219 R CA -0.910 55.245 56.100 0.091 0.000 0.904 219 R CB 0.888 31.213 30.300 0.042 0.000 1.236 219 R HN 0.478 nan 8.270 nan 0.000 0.466 220 L N 2.174 123.465 121.223 0.114 0.000 2.312 220 L HA 0.575 4.909 4.340 -0.010 0.000 0.281 220 L C -0.020 176.866 176.870 0.026 0.000 1.070 220 L CA -0.976 53.881 54.840 0.027 0.000 0.805 220 L CB 1.648 43.661 42.059 -0.076 0.000 1.174 220 L HN 0.585 nan 8.230 nan 0.000 0.434 221 V N -0.394 119.541 119.914 0.034 0.000 3.040 221 V HA 0.634 4.748 4.120 -0.010 0.000 0.312 221 V C -0.286 175.815 176.094 0.011 0.000 1.115 221 V CA -0.484 61.840 62.300 0.040 0.000 0.998 221 V CB 2.049 33.928 31.823 0.092 0.000 1.042 221 V HN 0.648 nan 8.190 nan 0.000 0.433 222 T N 2.683 117.234 114.554 -0.006 0.000 2.756 222 T HA 0.627 4.971 4.350 -0.010 0.000 0.290 222 T C -0.443 174.216 174.700 -0.068 0.000 0.985 222 T CA -0.240 61.837 62.100 -0.038 0.000 0.955 222 T CB 1.149 70.001 68.868 -0.025 0.000 0.930 222 T HN 0.727 nan 8.240 nan 0.000 0.451 223 V N 3.816 123.642 119.914 -0.148 0.000 2.370 223 V HA 0.315 4.429 4.120 -0.010 0.000 0.283 223 V C 0.062 176.015 176.094 -0.234 0.000 1.023 223 V CA -0.936 61.215 62.300 -0.247 0.000 0.857 223 V CB 1.635 33.146 31.823 -0.520 0.000 0.985 223 V HN 0.771 nan 8.190 nan 0.000 0.443 224 D N 7.087 127.401 120.400 -0.143 0.000 2.365 224 D HA 0.287 4.921 4.640 -0.010 0.000 0.237 224 D C -1.636 174.640 176.300 -0.039 0.000 1.190 224 D CA -2.070 51.882 54.000 -0.080 0.000 0.867 224 D CB 2.173 42.959 40.800 -0.024 0.000 1.050 224 D HN 0.204 nan 8.370 nan 0.000 0.491 225 P HA -0.081 nan 4.420 nan 0.000 0.219 225 P C 1.234 178.652 177.300 0.196 0.000 1.146 225 P CA 0.866 64.055 63.100 0.148 0.000 0.808 225 P CB 0.320 32.088 31.700 0.113 0.000 0.779 226 R N -0.009 120.550 120.500 0.098 0.000 2.096 226 R HA -0.122 4.212 4.340 -0.010 0.000 0.235 226 R C 1.090 177.442 176.300 0.085 0.000 1.127 226 R CA 1.793 57.939 56.100 0.077 0.000 0.968 226 R CB -0.582 29.743 30.300 0.042 0.000 0.861 226 R HN 0.381 nan 8.270 nan 0.000 0.440 227 D N -2.476 117.982 120.400 0.098 0.000 2.503 227 D HA 0.097 4.731 4.640 -0.010 0.000 0.218 227 D C 0.923 177.304 176.300 0.135 0.000 1.183 227 D CA 0.435 54.488 54.000 0.089 0.000 0.827 227 D CB 0.495 41.329 40.800 0.056 0.000 1.034 227 D HN 0.166 nan 8.370 nan 0.000 0.510 228 G N 0.884 109.831 108.800 0.245 0.000 2.166 228 G HA2 -0.312 3.642 3.960 -0.010 0.000 0.260 228 G HA3 -0.312 3.642 3.960 -0.010 0.000 0.260 228 G C 0.437 175.473 174.900 0.226 0.000 0.986 228 G CA 0.723 46.051 45.100 0.380 0.000 0.683 228 G HN 0.929 nan 8.290 nan 0.000 0.527 229 S N -1.070 114.699 115.700 0.116 0.000 2.564 229 S HA 0.636 5.101 4.470 -0.010 0.000 0.278 229 S C -0.006 174.617 174.600 0.038 0.000 1.333 229 S CA -0.141 58.102 58.200 0.071 0.000 1.048 229 S CB 2.489 65.715 63.200 0.043 0.000 0.900 229 S HN 1.043 nan 8.310 nan 0.000 0.505 230 V N 3.840 123.785 119.914 0.052 0.000 2.487 230 V HA 0.584 4.699 4.120 -0.010 0.000 0.298 230 V C -0.088 176.027 176.094 0.036 0.000 1.028 230 V CA -0.639 61.687 62.300 0.044 0.000 0.860 230 V CB 1.143 33.025 31.823 0.099 0.000 0.991 230 V HN 1.073 nan 8.190 nan 0.000 0.427 231 E N 2.154 122.366 120.200 0.021 0.000 2.369 231 E HA 0.518 4.863 4.350 -0.010 0.000 0.270 231 E C -1.588 175.023 176.600 0.018 0.000 0.909 231 E CA -1.029 55.382 56.400 0.019 0.000 0.775 231 E CB 2.101 31.807 29.700 0.011 0.000 1.270 231 E HN 0.454 nan 8.360 nan 0.000 0.445 232 D N 1.529 121.939 120.400 0.017 0.000 2.458 232 D HA 0.107 4.741 4.640 -0.010 0.000 0.243 232 D C -0.435 175.872 176.300 0.012 0.000 1.146 232 D CA -0.077 53.933 54.000 0.017 0.000 0.877 232 D CB 0.721 41.531 40.800 0.017 0.000 1.176 232 D HN 0.271 nan 8.370 nan 0.000 0.461 233 L N 2.978 124.207 121.223 0.008 0.000 2.292 233 L HA 0.201 4.535 4.340 -0.010 0.000 0.284 233 L C -0.189 176.683 176.870 0.002 0.000 1.065 233 L CA -0.166 54.672 54.840 -0.003 0.000 0.806 233 L CB 0.765 42.810 42.059 -0.023 0.000 1.175 233 L HN 0.148 nan 8.230 nan 0.000 0.431 234 E N 6.091 126.293 120.200 0.003 0.000 2.166 234 E HA 0.383 4.728 4.350 -0.010 0.000 0.275 234 E C -0.853 175.746 176.600 -0.002 0.000 0.941 234 E CA -0.469 55.937 56.400 0.011 0.000 0.784 234 E CB 1.959 31.667 29.700 0.013 0.000 1.115 234 E HN 0.597 nan 8.360 nan 0.000 0.399 235 L N 3.471 124.694 121.223 0.000 0.000 2.360 235 L HA 0.280 4.615 4.340 -0.010 0.000 0.271 235 L C -1.336 175.541 176.870 0.012 0.000 1.057 235 L CA -1.928 52.903 54.840 -0.014 0.000 0.803 235 L CB 0.911 42.938 42.059 -0.054 0.000 1.207 235 L HN 0.223 nan 8.230 nan 0.000 0.445 236 P HA -0.080 nan 4.420 nan 0.000 0.217 236 P C 0.354 177.672 177.300 0.031 0.000 1.151 236 P CA 0.780 63.891 63.100 0.019 0.000 0.828 236 P CB 0.273 31.982 31.700 0.016 0.000 0.788 237 S N -0.234 115.491 115.700 0.043 0.000 2.525 237 S HA 0.230 4.694 4.470 -0.010 0.000 0.278 237 S C 0.819 175.470 174.600 0.084 0.000 1.234 237 S CA -0.551 57.688 58.200 0.065 0.000 1.058 237 S CB 0.259 63.509 63.200 0.084 0.000 0.983 237 S HN -0.210 nan 8.310 nan 0.000 0.495 238 K N 2.992 123.441 120.400 0.083 0.000 2.410 238 K HA 0.154 4.468 4.320 -0.010 0.000 0.200 238 K C 0.535 177.200 176.600 0.109 0.000 1.023 238 K CA 0.064 56.401 56.287 0.084 0.000 1.149 238 K CB -0.237 32.296 32.500 0.055 0.000 0.859 238 K HN 0.576 nan 8.250 nan 0.000 0.514 239 D N 0.485 120.984 120.400 0.165 0.000 2.123 239 D HA -0.192 4.442 4.640 -0.010 0.000 0.196 239 D C 1.498 177.934 176.300 0.227 0.000 0.992 239 D CA 0.957 55.106 54.000 0.250 0.000 0.833 239 D CB -0.154 40.858 40.800 0.354 0.000 0.954 239 D HN 0.204 nan 8.370 nan 0.000 0.455 240 F N 1.105 120.961 119.950 -0.157 0.000 2.113 240 F HA -0.175 4.347 4.527 -0.009 0.000 0.297 240 F C 2.534 178.172 175.800 -0.271 0.000 1.103 240 F CA 1.599 59.181 58.000 -0.697 0.000 1.248 240 F CB -0.471 38.029 39.000 -0.832 0.000 0.999 240 F HN -0.131 nan 8.300 nan 0.000 0.475 241 S N -0.768 114.837 115.700 -0.159 0.000 2.383 241 S HA -0.199 4.265 4.470 -0.010 0.000 0.229 241 S C 2.225 176.725 174.600 -0.167 0.000 1.030 241 S CA 1.887 59.980 58.200 -0.179 0.000 1.002 241 S CB -0.680 62.516 63.200 -0.007 0.000 0.829 241 S HN 0.471 nan 8.310 nan 0.000 0.467 242 S N -0.343 115.321 115.700 -0.060 0.000 2.436 242 S HA 0.050 4.515 4.470 -0.010 0.000 0.228 242 S C 1.372 175.989 174.600 0.028 0.000 1.014 242 S CA 0.566 58.763 58.200 -0.004 0.000 0.950 242 S CB -0.474 62.757 63.200 0.052 0.000 0.784 242 S HN 0.730 nan 8.310 nan 0.000 0.504 243 Y N 2.471 122.701 120.300 -0.117 0.000 2.315 243 Y HA -0.069 4.475 4.550 -0.010 0.000 0.288 243 Y C 0.709 176.532 175.900 -0.129 0.000 1.154 243 Y CA 1.082 59.142 58.100 -0.067 0.000 1.229 243 Y CB -0.291 38.165 38.460 -0.007 0.000 0.980 243 Y HN 0.087 nan 8.280 nan 0.000 0.540 244 R N -0.431 119.920 120.500 -0.248 0.000 3.267 244 R HA -0.162 4.172 4.340 -0.010 0.000 0.254 244 R C -2.647 173.439 176.300 -0.358 0.000 0.993 244 R CA 0.304 56.229 56.100 -0.291 0.000 0.670 244 R CB -2.013 28.159 30.300 -0.213 0.000 1.125 244 R HN 0.315 nan 8.270 nan 0.000 0.434 245 P HA -0.064 nan 4.420 nan 0.000 0.266 245 P C 0.760 177.976 177.300 -0.141 0.000 1.195 245 P CA 0.533 63.518 63.100 -0.192 0.000 0.768 245 P CB 0.976 32.640 31.700 -0.059 0.000 0.838 246 T N -0.893 113.598 114.554 -0.105 0.000 2.990 246 T HA 0.483 4.828 4.350 -0.010 0.000 0.250 246 T C 0.634 175.309 174.700 -0.043 0.000 1.041 246 T CA 0.095 62.142 62.100 -0.089 0.000 1.010 246 T CB 0.191 68.984 68.868 -0.126 0.000 1.003 246 T HN 0.594 nan 8.240 nan 0.000 0.499 247 A N 0.738 123.561 122.820 0.006 0.000 2.566 247 A HA 0.807 5.121 4.320 -0.010 0.000 0.292 247 A C -1.445 176.207 177.584 0.114 0.000 1.112 247 A CA -1.016 51.045 52.037 0.040 0.000 0.707 247 A CB 1.265 20.281 19.000 0.027 0.000 1.302 247 A HN 0.397 nan 8.150 nan 0.000 0.409 248 I N 1.710 122.346 120.570 0.111 0.000 2.476 248 I HA 0.209 4.373 4.170 -0.010 0.000 0.281 248 I C 0.647 176.848 176.117 0.140 0.000 1.040 248 I CA -0.389 61.003 61.300 0.153 0.000 1.094 248 I CB 1.963 40.043 38.000 0.132 0.000 1.219 248 I HN 0.754 nan 8.210 nan 0.000 0.450 249 T N 3.881 118.550 114.554 0.192 0.000 2.812 249 T HA -0.070 4.274 4.350 -0.010 0.000 0.264 249 T C -0.226 174.645 174.700 0.286 0.000 1.042 249 T CA 1.319 63.542 62.100 0.205 0.000 1.140 249 T CB 0.103 69.102 68.868 0.219 0.000 0.870 249 T HN 0.644 nan 8.240 nan 0.000 0.445 250 W N 0.949 122.284 121.300 0.057 0.000 3.419 250 W HA 0.466 5.121 4.660 -0.010 0.000 0.298 250 W C -2.607 173.921 176.519 0.015 0.000 1.260 250 W CA -1.459 55.908 57.345 0.037 0.000 1.199 250 W CB 0.884 30.370 29.460 0.044 0.000 1.349 250 W HN 0.083 nan 8.180 nan 0.000 0.557 251 L N 3.135 123.724 121.223 -1.056 0.000 2.465 251 L HA 1.131 5.465 4.340 -0.010 0.000 0.257 251 L C -0.521 175.324 176.870 -1.708 0.000 0.988 251 L CA -0.735 53.395 54.840 -1.184 0.000 0.827 251 L CB 1.747 43.465 42.059 -0.568 0.000 1.397 251 L HN 0.830 nan 8.230 nan 0.000 0.410 252 G N -0.155 107.867 108.800 -1.297 0.000 2.667 252 G HA2 0.494 4.449 3.960 -0.010 0.000 0.294 252 G HA3 0.494 4.449 3.960 -0.010 0.000 0.294 252 G C -2.263 172.413 174.900 -0.374 0.000 1.467 252 G CA -0.642 44.021 45.100 -0.729 0.000 0.852 252 G HN 0.547 nan 8.290 nan 0.000 0.521 253 Y N 0.827 121.049 120.300 -0.130 0.000 2.316 253 Y HA 0.480 5.024 4.550 -0.009 0.000 0.331 253 Y C 1.256 177.137 175.900 -0.032 0.000 1.083 253 Y CA -0.328 57.724 58.100 -0.080 0.000 1.206 253 Y CB 1.112 39.512 38.460 -0.098 0.000 1.195 253 Y HN 0.302 nan 8.280 nan 0.000 0.497 254 L N 5.561 126.832 121.223 0.080 0.000 2.475 254 L HA 0.201 4.535 4.340 -0.010 0.000 0.253 254 L C -1.308 175.465 176.870 -0.162 0.000 1.198 254 L CA -1.820 52.995 54.840 -0.042 0.000 0.814 254 L CB 0.302 42.355 42.059 -0.010 0.000 1.134 254 L HN 0.455 nan 8.230 nan 0.000 0.478 255 P HA -0.168 nan 4.420 nan 0.000 0.218 255 P C 0.459 177.671 177.300 -0.146 0.000 1.148 255 P CA 1.115 64.022 63.100 -0.321 0.000 0.822 255 P CB -0.033 31.408 31.700 -0.431 0.000 0.784 256 D N -2.399 117.940 120.400 -0.101 0.000 2.340 256 D HA 0.124 4.759 4.640 -0.010 0.000 0.220 256 D C 1.417 177.705 176.300 -0.019 0.000 1.039 256 D CA 0.579 54.550 54.000 -0.049 0.000 0.866 256 D CB -0.816 39.965 40.800 -0.033 0.000 0.913 256 D HN 0.227 nan 8.370 nan 0.000 0.523 257 G N -0.031 108.768 108.800 -0.001 0.000 2.194 257 G HA2 -0.299 3.656 3.960 -0.010 0.000 0.236 257 G HA3 -0.299 3.656 3.960 -0.010 0.000 0.236 257 G C 0.326 175.313 174.900 0.145 0.000 0.987 257 G CA -0.203 44.929 45.100 0.053 0.000 0.635 257 G HN 0.438 nan 8.290 nan 0.000 0.520 258 R N -0.270 120.277 120.500 0.078 0.000 2.539 258 R HA 0.550 4.885 4.340 -0.010 0.000 0.275 258 R C -0.071 176.212 176.300 -0.028 0.000 1.077 258 R CA -0.617 55.508 56.100 0.041 0.000 1.097 258 R CB 0.995 31.301 30.300 0.010 0.000 1.018 258 R HN 0.215 nan 8.270 nan 0.000 0.483 259 L N 2.063 123.186 121.223 -0.166 0.000 2.276 259 L HA 0.391 4.725 4.340 -0.010 0.000 0.286 259 L C -0.629 176.088 176.870 -0.255 0.000 1.061 259 L CA 0.052 54.619 54.840 -0.455 0.000 0.807 259 L CB 1.145 42.846 42.059 -0.596 0.000 1.177 259 L HN 0.735 nan 8.230 nan 0.000 0.429 260 A N 5.232 127.923 122.820 -0.215 0.000 2.301 260 A HA 0.790 5.105 4.320 -0.010 0.000 0.312 260 A C -1.055 176.493 177.584 -0.060 0.000 1.182 260 A CA -0.480 51.549 52.037 -0.013 0.000 0.826 260 A CB 1.033 20.161 19.000 0.214 0.000 1.134 260 A HN 0.575 nan 8.150 nan 0.000 0.501 261 V N 2.584 122.541 119.914 0.073 0.000 2.808 261 V HA 0.451 4.566 4.120 -0.010 0.000 0.308 261 V C -0.743 175.539 176.094 0.313 0.000 1.099 261 V CA -0.543 61.798 62.300 0.070 0.000 0.920 261 V CB 1.961 33.675 31.823 -0.183 0.000 1.014 261 V HN 0.675 nan 8.190 nan 0.000 0.425 262 V N 3.388 123.521 119.914 0.366 0.000 2.409 262 V HA 0.917 5.031 4.120 -0.010 0.000 0.291 262 V C 0.178 176.497 176.094 0.375 0.000 1.020 262 V CA -0.213 62.312 62.300 0.376 0.000 0.848 262 V CB 1.490 33.528 31.823 0.358 0.000 0.990 262 V HN 1.090 nan 8.190 nan 0.000 0.430 263 A N 5.972 129.060 122.820 0.447 0.000 2.498 263 A HA 0.998 5.312 4.320 -0.010 0.000 0.298 263 A C -0.590 177.283 177.584 0.483 0.000 1.075 263 A CA -0.919 51.392 52.037 0.456 0.000 0.714 263 A CB 1.924 21.279 19.000 0.591 0.000 1.299 263 A HN 0.833 nan 8.150 nan 0.000 0.407 264 R N 0.208 120.936 120.500 0.380 0.000 2.888 264 R HA 0.898 5.232 4.340 -0.010 0.000 0.266 264 R C -0.644 175.756 176.300 0.166 0.000 1.020 264 R CA -1.006 55.284 56.100 0.317 0.000 0.963 264 R CB 2.147 32.541 30.300 0.156 0.000 1.197 264 R HN 0.787 nan 8.270 nan 0.000 0.481 265 R N 0.512 121.050 120.500 0.063 0.000 2.579 265 R HA 0.094 4.429 4.340 -0.010 0.000 0.260 265 R C -1.068 175.204 176.300 -0.046 0.000 1.103 265 R CA -0.349 55.676 56.100 -0.125 0.000 0.942 265 R CB 1.435 31.486 30.300 -0.415 0.000 1.251 265 R HN 0.926 nan 8.270 nan 0.000 0.450 266 E N 1.880 122.004 120.200 -0.127 0.000 2.539 266 E HA -0.275 4.069 4.350 -0.010 0.000 0.253 266 E C 0.451 177.172 176.600 0.202 0.000 1.145 266 E CA 1.098 57.532 56.400 0.057 0.000 0.738 266 E CB -1.100 28.757 29.700 0.263 0.000 1.308 266 E HN 1.103 nan 8.360 nan 0.000 0.409 267 G N -0.533 108.321 108.800 0.091 0.000 2.175 267 G HA2 -0.327 3.628 3.960 -0.010 0.000 0.244 267 G HA3 -0.327 3.628 3.960 -0.010 0.000 0.244 267 G C 0.207 175.145 174.900 0.063 0.000 0.982 267 G CA 0.432 45.617 45.100 0.141 0.000 0.641 267 G HN 0.280 nan 8.290 nan 0.000 0.527 268 R N -0.390 120.188 120.500 0.129 0.000 2.836 268 R HA 0.735 5.069 4.340 -0.010 0.000 0.269 268 R C -0.102 176.319 176.300 0.201 0.000 1.010 268 R CA -0.036 56.142 56.100 0.131 0.000 0.930 268 R CB 1.843 32.261 30.300 0.197 0.000 1.218 268 R HN 0.472 nan 8.270 nan 0.000 0.473 269 S N -0.135 115.690 115.700 0.209 0.000 2.677 269 S HA 0.913 5.377 4.470 -0.010 0.000 0.304 269 S C -1.024 173.784 174.600 0.348 0.000 1.108 269 S CA -0.819 57.576 58.200 0.324 0.000 0.944 269 S CB 2.257 65.627 63.200 0.285 0.000 1.127 269 S HN 0.689 nan 8.310 nan 0.000 0.511 270 A N 0.475 123.410 122.820 0.191 0.000 2.498 270 A HA 0.792 5.106 4.320 -0.010 0.000 0.298 270 A C -1.182 176.223 177.584 -0.298 0.000 1.075 270 A CA -0.807 51.101 52.037 -0.214 0.000 0.714 270 A CB 1.598 20.145 19.000 -0.756 0.000 1.299 270 A HN 0.948 nan 8.150 nan 0.000 0.407 271 V N 1.325 120.886 119.914 -0.589 0.000 2.459 271 V HA 0.663 4.777 4.120 -0.010 0.000 0.295 271 V C -1.195 174.500 176.094 -0.665 0.000 1.029 271 V CA -0.163 61.897 62.300 -0.400 0.000 0.874 271 V CB 0.893 32.523 31.823 -0.322 0.000 0.985 271 V HN 0.676 nan 8.190 nan 0.000 0.438 272 F N 4.602 124.535 119.950 -0.028 0.000 2.565 272 F HA 0.671 5.192 4.527 -0.010 0.000 0.313 272 F C -0.380 175.390 175.800 -0.051 0.000 1.091 272 F CA -0.949 57.032 58.000 -0.033 0.000 0.915 272 F CB 1.886 40.884 39.000 -0.003 0.000 1.208 272 F HN 0.126 nan 8.300 nan 0.000 0.453 273 I N 2.475 123.116 120.570 0.118 0.000 2.410 273 I HA 0.245 4.409 4.170 -0.010 0.000 0.286 273 I C -0.311 175.827 176.117 0.036 0.000 1.009 273 I CA -0.887 60.441 61.300 0.047 0.000 1.111 273 I CB 0.994 39.009 38.000 0.025 0.000 1.262 273 I HN 0.606 nan 8.210 nan 0.000 0.443 274 D N 5.525 125.914 120.400 -0.018 0.000 2.737 274 D HA -0.194 4.440 4.640 -0.010 0.000 0.233 274 D C 1.367 177.667 176.300 0.000 0.000 1.155 274 D CA 1.728 55.710 54.000 -0.030 0.000 0.667 274 D CB -0.720 40.076 40.800 -0.006 0.000 1.060 274 D HN 1.141 nan 8.370 nan 0.000 0.427 275 G N -0.231 108.575 108.800 0.010 0.000 2.241 275 G HA2 -0.358 3.596 3.960 -0.010 0.000 0.244 275 G HA3 -0.358 3.596 3.960 -0.010 0.000 0.244 275 G C 0.173 175.230 174.900 0.262 0.000 0.998 275 G CA 0.470 45.614 45.100 0.074 0.000 0.621 275 G HN 0.613 nan 8.290 nan 0.000 0.519 276 E N 0.790 121.118 120.200 0.213 0.000 2.259 276 E HA 0.535 4.879 4.350 -0.010 0.000 0.281 276 E C 0.586 177.302 176.600 0.194 0.000 1.027 276 E CA -0.857 55.660 56.400 0.194 0.000 0.838 276 E CB 0.500 30.254 29.700 0.089 0.000 1.066 276 E HN 0.391 nan 8.360 nan 0.000 0.401 277 R N 2.953 123.531 120.500 0.130 0.000 2.490 277 R HA 0.305 4.640 4.340 -0.010 0.000 0.278 277 R C -1.124 175.051 176.300 -0.208 0.000 1.069 277 R CA -0.448 55.504 56.100 -0.247 0.000 1.080 277 R CB 0.949 31.065 30.300 -0.307 0.000 1.030 277 R HN 0.350 nan 8.270 nan 0.000 0.491 278 V N 3.228 122.956 119.914 -0.309 0.000 2.555 278 V HA 0.187 4.301 4.120 -0.010 0.000 0.302 278 V C -0.291 175.667 176.094 -0.226 0.000 1.038 278 V CA -0.825 61.352 62.300 -0.204 0.000 0.887 278 V CB 1.692 33.409 31.823 -0.177 0.000 0.991 278 V HN 0.814 nan 8.190 nan 0.000 0.434 279 E N 2.585 122.694 120.200 -0.152 0.000 2.384 279 E HA 0.542 4.886 4.350 -0.010 0.000 0.266 279 E C -0.299 176.205 176.600 -0.160 0.000 1.012 279 E CA 0.104 56.424 56.400 -0.134 0.000 0.901 279 E CB 0.922 30.573 29.700 -0.082 0.000 0.967 279 E HN 0.934 nan 8.360 nan 0.000 0.435 280 A N 4.814 127.538 122.820 -0.160 0.000 2.549 280 A HA 0.551 4.865 4.320 -0.010 0.000 0.297 280 A C -2.659 174.887 177.584 -0.064 0.000 1.061 280 A CA -1.573 50.349 52.037 -0.192 0.000 0.690 280 A CB 1.086 19.820 19.000 -0.443 0.000 1.287 280 A HN 0.574 nan 8.150 nan 0.000 0.402 281 P HA 0.133 nan 4.420 nan 0.000 0.266 281 P C -0.510 176.839 177.300 0.082 0.000 1.195 281 P CA 0.146 63.164 63.100 -0.137 0.000 0.768 281 P CB 0.287 31.620 31.700 -0.612 0.000 0.838 282 Q N 1.106 120.985 119.800 0.133 0.000 2.330 282 Q HA 0.385 4.720 4.340 -0.010 0.000 0.279 282 Q C 0.950 177.128 176.000 0.296 0.000 1.024 282 Q CA 1.095 57.020 55.803 0.205 0.000 0.900 282 Q CB 0.239 29.077 28.738 0.167 0.000 1.221 282 Q HN 0.828 nan 8.270 nan 0.000 0.396 283 G N 2.494 111.383 108.800 0.149 0.000 2.233 283 G HA2 -0.117 3.838 3.960 -0.010 0.000 0.162 283 G HA3 -0.117 3.838 3.960 -0.010 0.000 0.162 283 G C -1.296 173.473 174.900 -0.217 0.000 1.327 283 G CA -0.848 44.241 45.100 -0.019 0.000 1.187 283 G HN 0.560 nan 8.290 nan 0.000 0.479 284 N N 0.379 118.843 118.700 -0.393 0.000 2.238 284 N HA 0.638 5.372 4.740 -0.010 0.000 0.302 284 N C -1.374 173.805 175.510 -0.551 0.000 1.072 284 N CA -0.360 52.444 53.050 -0.409 0.000 0.792 284 N CB 1.754 40.130 38.487 -0.186 0.000 1.425 284 N HN 0.599 nan 8.380 nan 0.000 0.478 285 H N -0.937 118.176 119.070 0.071 0.000 2.670 285 H HA 0.618 5.169 4.556 -0.010 0.000 0.361 285 H C 0.686 176.018 175.328 0.008 0.000 1.169 285 H CA -0.765 55.311 56.048 0.047 0.000 1.198 285 H CB 1.631 31.421 29.762 0.047 0.000 1.700 285 H HN 0.595 nan 8.280 nan 0.000 0.542 286 G N -0.280 108.566 108.800 0.078 0.000 2.940 286 G HA2 0.283 4.238 3.960 -0.010 0.000 0.164 286 G HA3 0.283 4.238 3.960 -0.010 0.000 0.164 286 G C -0.483 174.254 174.900 -0.272 0.000 1.326 286 G CA -1.102 43.949 45.100 -0.081 0.000 1.020 286 G HN 0.739 nan 8.290 nan 0.000 0.586 287 R N -1.398 118.731 120.500 -0.619 0.000 2.679 287 R HA 0.468 4.802 4.340 -0.010 0.000 0.269 287 R C -1.160 174.717 176.300 -0.705 0.000 1.076 287 R CA -0.388 54.940 56.100 -1.287 0.000 1.160 287 R CB 0.803 30.089 30.300 -1.689 0.000 1.054 287 R HN 0.141 nan 8.270 nan 0.000 0.507 288 V N 2.785 122.294 119.914 -0.675 0.000 2.448 288 V HA 0.385 4.499 4.120 -0.010 0.000 0.295 288 V C 0.025 176.104 176.094 -0.025 0.000 1.025 288 V CA -0.713 61.484 62.300 -0.171 0.000 0.859 288 V CB 1.401 33.252 31.823 0.046 0.000 0.988 288 V HN 0.721 nan 8.190 nan 0.000 0.431 289 V N 3.623 123.558 119.914 0.035 0.000 2.960 289 V HA 0.785 4.900 4.120 -0.010 0.000 0.315 289 V C -0.893 175.354 176.094 0.255 0.000 1.087 289 V CA -1.070 61.347 62.300 0.196 0.000 0.982 289 V CB 2.016 33.883 31.823 0.073 0.000 1.039 289 V HN 0.660 nan 8.190 nan 0.000 0.437 290 L N 3.706 125.155 121.223 0.376 0.000 2.282 290 L HA 0.740 5.074 4.340 -0.010 0.000 0.288 290 L C -1.256 175.877 176.870 0.438 0.000 1.033 290 L CA -0.084 54.935 54.840 0.298 0.000 0.807 290 L CB 1.205 43.368 42.059 0.173 0.000 1.209 290 L HN 0.960 nan 8.230 nan 0.000 0.423 291 W N 6.716 128.092 121.300 0.126 0.000 2.884 291 W HA 0.471 5.125 4.660 -0.010 0.000 0.336 291 W C 0.050 176.614 176.519 0.075 0.000 1.038 291 W CA -0.948 56.466 57.345 0.115 0.000 1.247 291 W CB 0.774 30.291 29.460 0.095 0.000 1.351 291 W HN 0.652 nan 8.180 nan 0.000 0.446 292 R N 4.315 124.673 120.500 -0.237 0.000 3.416 292 R HA -0.191 4.143 4.340 -0.010 0.000 0.263 292 R C 1.154 177.355 176.300 -0.165 0.000 1.053 292 R CA 1.491 57.395 56.100 -0.326 0.000 0.705 292 R CB -1.544 28.349 30.300 -0.679 0.000 1.124 292 R HN 1.462 nan 8.270 nan 0.000 0.444 293 G N -0.867 107.905 108.800 -0.047 0.000 2.179 293 G HA2 -0.350 3.604 3.960 -0.010 0.000 0.260 293 G HA3 -0.350 3.604 3.960 -0.010 0.000 0.260 293 G C 0.037 174.936 174.900 -0.001 0.000 0.977 293 G CA 0.876 45.963 45.100 -0.021 0.000 0.641 293 G HN 0.389 nan 8.290 nan 0.000 0.533 294 K N -0.620 119.794 120.400 0.023 0.000 2.395 294 K HA 0.734 5.049 4.320 -0.010 0.000 0.247 294 K C -0.063 176.599 176.600 0.104 0.000 0.973 294 K CA -0.999 55.314 56.287 0.044 0.000 0.828 294 K CB 1.930 34.446 32.500 0.027 0.000 1.272 294 K HN 0.092 nan 8.250 nan 0.000 0.439 295 L N 1.458 122.725 121.223 0.074 0.000 2.357 295 L HA 0.498 4.832 4.340 -0.010 0.000 0.273 295 L C -0.509 176.409 176.870 0.081 0.000 1.080 295 L CA -0.906 53.980 54.840 0.077 0.000 0.803 295 L CB 1.326 43.400 42.059 0.025 0.000 1.174 295 L HN 0.215 nan 8.230 nan 0.000 0.443 296 V N 1.188 121.147 119.914 0.076 0.000 2.841 296 V HA 0.656 4.770 4.120 -0.010 0.000 0.310 296 V C -0.261 175.812 176.094 -0.035 0.000 1.090 296 V CA -0.407 61.914 62.300 0.035 0.000 0.930 296 V CB 2.257 34.124 31.823 0.073 0.000 1.014 296 V HN 0.863 nan 8.190 nan 0.000 0.425 297 T N 1.588 116.108 114.554 -0.056 0.000 2.787 297 T HA 0.625 4.969 4.350 -0.010 0.000 0.297 297 T C -0.552 174.128 174.700 -0.034 0.000 1.221 297 T CA 0.069 62.127 62.100 -0.071 0.000 1.006 297 T CB 2.002 70.834 68.868 -0.060 0.000 1.328 297 T HN 1.013 nan 8.240 nan 0.000 0.509 298 S N 1.223 116.915 115.700 -0.013 0.000 2.617 298 S HA 0.611 5.075 4.470 -0.010 0.000 0.283 298 S C -0.774 173.918 174.600 0.153 0.000 1.189 298 S CA -0.630 57.587 58.200 0.029 0.000 1.036 298 S CB 1.050 64.243 63.200 -0.011 0.000 1.014 298 S HN 0.880 nan 8.310 nan 0.000 0.522 299 H N 0.084 119.155 119.070 0.002 0.000 2.856 299 H HA 0.534 5.084 4.556 -0.010 0.000 0.355 299 H C -1.585 173.699 175.328 -0.074 0.000 1.079 299 H CA -0.286 55.757 56.048 -0.008 0.000 1.240 299 H CB 2.140 31.939 29.762 0.062 0.000 1.701 299 H HN 0.781 nan 8.280 nan 0.000 0.527 300 T N 2.327 116.474 114.554 -0.679 0.000 2.883 300 T HA 0.592 4.937 4.350 -0.010 0.000 0.296 300 T C -1.296 173.037 174.700 -0.612 0.000 1.117 300 T CA -0.162 61.610 62.100 -0.545 0.000 1.006 300 T CB 1.337 70.065 68.868 -0.233 0.000 1.191 300 T HN 0.823 nan 8.240 nan 0.000 0.508 301 S N 1.961 117.485 115.700 -0.294 0.000 2.611 301 S HA 0.407 4.871 4.470 -0.010 0.000 0.268 301 S C 0.695 175.333 174.600 0.062 0.000 1.156 301 S CA -0.863 57.263 58.200 -0.124 0.000 0.817 301 S CB 0.517 63.675 63.200 -0.069 0.000 1.122 301 S HN 0.606 nan 8.310 nan 0.000 0.466 302 L N 1.574 122.814 121.223 0.027 0.000 2.261 302 L HA -0.055 4.280 4.340 -0.010 0.000 0.216 302 L C 2.304 179.282 176.870 0.180 0.000 1.114 302 L CA 1.692 56.562 54.840 0.050 0.000 0.777 302 L CB -0.402 41.658 42.059 0.002 0.000 0.910 302 L HN 0.921 nan 8.230 nan 0.000 0.440 303 S N -3.936 111.897 115.700 0.222 0.000 2.539 303 S HA 0.142 4.606 4.470 -0.010 0.000 0.221 303 S C 0.559 175.339 174.600 0.301 0.000 0.987 303 S CA -0.457 57.923 58.200 0.300 0.000 0.929 303 S CB 0.364 63.680 63.200 0.194 0.000 0.832 303 S HN 0.132 nan 8.310 nan 0.000 0.492 304 T N 4.506 119.184 114.554 0.207 0.000 2.890 304 T HA 0.502 4.846 4.350 -0.010 0.000 0.295 304 T C -3.107 171.395 174.700 -0.331 0.000 0.993 304 T CA -1.408 60.645 62.100 -0.078 0.000 0.979 304 T CB 1.850 70.691 68.868 -0.045 0.000 0.967 304 T HN -0.017 nan 8.240 nan 0.000 0.441 305 P HA 0.182 nan 4.420 nan 0.000 0.267 305 P C -2.554 174.413 177.300 -0.555 0.000 1.200 305 P CA -1.249 61.148 63.100 -1.171 0.000 0.772 305 P CB -0.459 30.444 31.700 -1.329 0.000 0.855 306 P HA -0.067 nan 4.420 nan 0.000 0.259 306 P C -0.150 177.036 177.300 -0.190 0.000 1.163 306 P CA 1.026 63.954 63.100 -0.285 0.000 0.760 306 P CB 0.121 31.625 31.700 -0.328 0.000 0.762 307 R N 2.352 122.807 120.500 -0.075 0.000 2.734 307 R HA 0.618 4.952 4.340 -0.010 0.000 0.271 307 R C -1.287 175.001 176.300 -0.021 0.000 1.021 307 R CA -1.028 55.071 56.100 -0.002 0.000 0.893 307 R CB 0.999 31.286 30.300 -0.022 0.000 1.244 307 R HN 0.054 nan 8.270 nan 0.000 0.464 308 I N 2.627 123.126 120.570 -0.119 0.000 2.353 308 I HA 0.384 4.548 4.170 -0.010 0.000 0.293 308 I C 0.467 176.501 176.117 -0.139 0.000 0.992 308 I CA -0.729 60.470 61.300 -0.168 0.000 1.268 308 I CB 1.139 38.930 38.000 -0.348 0.000 1.387 308 I HN 0.614 nan 8.210 nan 0.000 0.478 309 V N 2.651 122.519 119.914 -0.077 0.000 3.040 309 V HA 0.708 4.822 4.120 -0.010 0.000 0.312 309 V C -0.208 175.865 176.094 -0.035 0.000 1.115 309 V CA -0.755 61.512 62.300 -0.055 0.000 0.998 309 V CB 1.914 33.710 31.823 -0.045 0.000 1.042 309 V HN 0.734 nan 8.190 nan 0.000 0.433 310 S N 2.302 117.992 115.700 -0.016 0.000 2.525 310 S HA 0.736 5.200 4.470 -0.010 0.000 0.278 310 S C -0.560 174.025 174.600 -0.025 0.000 1.234 310 S CA -0.629 57.578 58.200 0.012 0.000 1.058 310 S CB 0.216 63.438 63.200 0.037 0.000 0.983 310 S HN 0.717 nan 8.310 nan 0.000 0.495 311 L N 6.107 127.314 121.223 -0.028 0.000 2.331 311 L HA 0.512 4.846 4.340 -0.010 0.000 0.275 311 L C -1.423 175.424 176.870 -0.038 0.000 1.022 311 L CA -1.957 52.847 54.840 -0.059 0.000 0.812 311 L CB 1.839 43.843 42.059 -0.091 0.000 1.257 311 L HN 0.582 nan 8.230 nan 0.000 0.435 312 P HA 0.026 nan 4.420 nan 0.000 0.262 312 P C 0.928 178.193 177.300 -0.058 0.000 1.304 312 P CA 0.157 63.218 63.100 -0.065 0.000 0.859 312 P CB 0.484 32.149 31.700 -0.058 0.000 1.310 313 S N -0.701 114.973 115.700 -0.044 0.000 2.436 313 S HA 0.132 4.597 4.470 -0.010 0.000 0.228 313 S C 1.909 176.479 174.600 -0.050 0.000 1.014 313 S CA 0.975 59.153 58.200 -0.037 0.000 0.950 313 S CB -1.446 61.741 63.200 -0.023 0.000 0.784 313 S HN 0.275 nan 8.310 nan 0.000 0.504 314 G N 0.808 109.568 108.800 -0.067 0.000 2.184 314 G HA2 -0.323 3.631 3.960 -0.010 0.000 0.264 314 G HA3 -0.323 3.631 3.960 -0.010 0.000 0.264 314 G C -0.066 174.794 174.900 -0.066 0.000 0.975 314 G CA 0.386 45.431 45.100 -0.093 0.000 0.642 314 G HN 0.751 nan 8.290 nan 0.000 0.536 315 E N 2.224 122.401 120.200 -0.038 0.000 2.465 315 E HA 0.369 4.713 4.350 -0.010 0.000 0.260 315 E C -1.786 174.798 176.600 -0.027 0.000 0.980 315 E CA -1.464 54.922 56.400 -0.023 0.000 0.927 315 E CB 0.553 30.250 29.700 -0.006 0.000 0.934 315 E HN 0.288 nan 8.360 nan 0.000 0.459 316 P HA 0.041 nan 4.420 nan 0.000 0.281 316 P C 0.115 177.376 177.300 -0.065 0.000 1.252 316 P CA 0.139 63.207 63.100 -0.053 0.000 0.778 316 P CB 0.887 32.558 31.700 -0.048 0.000 0.895 317 L N 2.378 123.526 121.223 -0.125 0.000 2.202 317 L HA 0.209 4.543 4.340 -0.010 0.000 0.205 317 L C 1.080 177.757 176.870 -0.322 0.000 1.083 317 L CA 0.909 55.651 54.840 -0.164 0.000 0.790 317 L CB -0.043 41.857 42.059 -0.265 0.000 0.942 317 L HN 0.320 nan 8.230 nan 0.000 0.452 318 L N 0.195 121.157 121.223 -0.435 0.000 2.516 318 L HA 0.402 4.736 4.340 -0.010 0.000 0.267 318 L C -1.259 175.357 176.870 -0.424 0.000 0.957 318 L CA -0.264 54.218 54.840 -0.597 0.000 0.860 318 L CB 2.640 44.057 42.059 -1.071 0.000 1.265 318 L HN 0.009 nan 8.230 nan 0.000 0.403 319 E N 2.464 122.532 120.200 -0.220 0.000 2.347 319 E HA 0.491 4.835 4.350 -0.010 0.000 0.285 319 E C -0.727 175.919 176.600 0.076 0.000 0.925 319 E CA -0.609 55.780 56.400 -0.018 0.000 0.779 319 E CB 2.063 31.727 29.700 -0.061 0.000 1.233 319 E HN 0.645 nan 8.360 nan 0.000 0.414 320 G N 1.508 110.356 108.800 0.080 0.000 2.527 320 G HA2 0.456 4.410 3.960 -0.010 0.000 0.248 320 G HA3 0.456 4.410 3.960 -0.010 0.000 0.248 320 G C 0.077 174.941 174.900 -0.060 0.000 1.231 320 G CA -0.056 45.037 45.100 -0.012 0.000 0.838 320 G HN 0.420 nan 8.290 nan 0.000 0.570 321 G N 0.155 108.928 108.800 -0.046 0.000 2.329 321 G HA2 0.517 4.471 3.960 -0.010 0.000 0.309 321 G HA3 0.517 4.471 3.960 -0.010 0.000 0.309 321 G C -0.256 174.620 174.900 -0.041 0.000 1.110 321 G CA -0.533 44.545 45.100 -0.037 0.000 0.923 321 G HN 0.530 nan 8.290 nan 0.000 0.430 322 L N 3.474 124.674 121.223 -0.038 0.000 2.334 322 L HA 0.411 4.745 4.340 -0.010 0.000 0.275 322 L C -1.898 174.973 176.870 0.001 0.000 1.036 322 L CA -2.080 52.752 54.840 -0.014 0.000 0.807 322 L CB 2.287 44.343 42.059 -0.004 0.000 1.231 322 L HN 0.310 nan 8.230 nan 0.000 0.438 323 P HA -0.016 nan 4.420 nan 0.000 0.268 323 P C 0.428 177.739 177.300 0.019 0.000 1.208 323 P CA -0.137 62.971 63.100 0.014 0.000 0.777 323 P CB 0.624 32.334 31.700 0.017 0.000 0.875 324 E N 1.609 121.819 120.200 0.016 0.000 2.114 324 E HA -0.309 4.035 4.350 -0.010 0.000 0.199 324 E C 1.259 177.874 176.600 0.025 0.000 1.008 324 E CA 1.814 58.226 56.400 0.019 0.000 0.810 324 E CB -0.050 29.659 29.700 0.015 0.000 0.739 324 E HN 0.564 nan 8.360 nan 0.000 0.456 325 D N 0.435 120.850 120.400 0.024 0.000 2.162 325 D HA -0.172 4.462 4.640 -0.010 0.000 0.203 325 D C 2.187 178.508 176.300 0.035 0.000 0.967 325 D CA 0.519 54.535 54.000 0.026 0.000 0.840 325 D CB -0.527 40.284 40.800 0.020 0.000 0.972 325 D HN 0.294 nan 8.370 nan 0.000 0.482 326 L N 0.769 122.015 121.223 0.039 0.000 2.083 326 L HA -0.044 4.290 4.340 -0.010 0.000 0.209 326 L C 2.576 179.488 176.870 0.070 0.000 1.083 326 L CA 1.444 56.317 54.840 0.054 0.000 0.752 326 L CB -0.842 41.251 42.059 0.056 0.000 0.899 326 L HN -0.075 nan 8.230 nan 0.000 0.433 327 R N 0.046 120.582 120.500 0.059 0.000 2.083 327 R HA -0.144 4.190 4.340 -0.010 0.000 0.237 327 R C 2.389 178.731 176.300 0.069 0.000 1.137 327 R CA 1.799 57.938 56.100 0.064 0.000 0.951 327 R CB -0.428 29.897 30.300 0.040 0.000 0.851 327 R HN 0.357 nan 8.270 nan 0.000 0.434 328 R N -0.164 120.369 120.500 0.055 0.000 2.148 328 R HA -0.052 4.282 4.340 -0.010 0.000 0.227 328 R C 2.207 178.545 176.300 0.064 0.000 1.103 328 R CA 1.455 57.587 56.100 0.055 0.000 0.983 328 R CB -0.220 30.104 30.300 0.041 0.000 0.874 328 R HN 0.457 nan 8.270 nan 0.000 0.451 329 S N 0.339 116.078 115.700 0.064 0.000 2.453 329 S HA -0.024 4.440 4.470 -0.010 0.000 0.231 329 S C 0.981 175.634 174.600 0.090 0.000 1.005 329 S CA 0.506 58.745 58.200 0.065 0.000 0.949 329 S CB -0.035 63.196 63.200 0.053 0.000 0.774 329 S HN 0.118 nan 8.310 nan 0.000 0.510 330 I N 2.360 122.995 120.570 0.108 0.000 2.313 330 I HA 0.492 4.657 4.170 -0.010 0.000 0.286 330 I C 0.695 176.892 176.117 0.132 0.000 1.091 330 I CA -0.456 60.923 61.300 0.131 0.000 1.216 330 I CB 0.755 38.858 38.000 0.172 0.000 1.434 330 I HN 0.284 nan 8.210 nan 0.000 0.487 331 A N 4.544 127.442 122.820 0.130 0.000 2.710 331 A HA 0.797 5.111 4.320 -0.010 0.000 0.253 331 A C 0.838 178.498 177.584 0.126 0.000 1.658 331 A CA -0.059 52.050 52.037 0.120 0.000 0.851 331 A CB -0.392 18.680 19.000 0.120 0.000 1.658 331 A HN 0.570 nan 8.150 nan 0.000 0.585 332 G N -0.982 107.887 108.800 0.116 0.000 2.599 332 G HA2 0.465 4.419 3.960 -0.010 0.000 0.264 332 G HA3 0.465 4.419 3.960 -0.010 0.000 0.264 332 G C 0.147 175.126 174.900 0.132 0.000 1.200 332 G CA 0.538 45.709 45.100 0.119 0.000 0.896 332 G HN 1.496 nan 8.290 nan 0.000 0.536 333 S N -0.937 114.849 115.700 0.144 0.000 2.600 333 S HA 0.873 5.337 4.470 -0.010 0.000 0.300 333 S C -0.298 174.413 174.600 0.184 0.000 1.087 333 S CA -0.853 57.451 58.200 0.173 0.000 0.965 333 S CB 2.300 65.606 63.200 0.177 0.000 1.089 333 S HN 1.144 nan 8.310 nan 0.000 0.496 334 R N 0.270 120.882 120.500 0.188 0.000 2.716 334 R HA 0.696 5.030 4.340 -0.010 0.000 0.271 334 R C -2.170 174.057 176.300 -0.122 0.000 1.028 334 R CA -1.114 55.044 56.100 0.097 0.000 0.883 334 R CB 0.769 31.109 30.300 0.066 0.000 1.250 334 R HN 0.553 nan 8.270 nan 0.000 0.465 335 L N 2.009 123.047 121.223 -0.308 0.000 2.296 335 L HA 0.591 4.925 4.340 -0.010 0.000 0.286 335 L C -0.807 175.782 176.870 -0.468 0.000 1.023 335 L CA -0.517 53.903 54.840 -0.699 0.000 0.812 335 L CB 1.749 43.414 42.059 -0.658 0.000 1.223 335 L HN 0.611 nan 8.230 nan 0.000 0.421 336 V N 1.550 121.088 119.914 -0.626 0.000 2.914 336 V HA 0.676 4.791 4.120 -0.010 0.000 0.314 336 V C -1.537 174.161 176.094 -0.660 0.000 1.084 336 V CA -0.785 61.206 62.300 -0.516 0.000 0.963 336 V CB 1.782 33.189 31.823 -0.693 0.000 1.025 336 V HN 0.791 nan 8.190 nan 0.000 0.432 337 W N 2.614 123.686 121.300 -0.380 0.000 2.278 337 W HA 0.710 5.363 4.660 -0.013 0.000 0.317 337 W C -0.253 176.077 176.519 -0.316 0.000 1.030 337 W CA -0.623 56.526 57.345 -0.328 0.000 1.334 337 W CB 1.590 30.905 29.460 -0.242 0.000 1.215 337 W HN 0.537 nan 8.180 nan 0.000 0.405 338 V N 2.922 122.728 119.914 -0.180 0.000 2.649 338 V HA 0.103 4.218 4.120 -0.010 0.000 0.292 338 V C 0.391 176.501 176.094 0.026 0.000 1.055 338 V CA -0.819 61.408 62.300 -0.122 0.000 1.023 338 V CB 1.402 33.141 31.823 -0.141 0.000 0.992 338 V HN 0.414 nan 8.190 nan 0.000 0.480 339 E N 2.519 122.762 120.200 0.072 0.000 2.152 339 E HA 0.270 4.614 4.350 -0.010 0.000 0.285 339 E C -0.080 176.588 176.600 0.112 0.000 1.043 339 E CA -0.104 56.343 56.400 0.079 0.000 0.839 339 E CB 1.015 30.757 29.700 0.069 0.000 1.069 339 E HN 0.723 nan 8.360 nan 0.000 0.399 340 S N 3.145 118.920 115.700 0.126 0.000 2.634 340 S HA 0.041 4.505 4.470 -0.010 0.000 0.261 340 S C 0.861 175.557 174.600 0.159 0.000 1.271 340 S CA -0.511 57.792 58.200 0.173 0.000 0.985 340 S CB 0.361 63.691 63.200 0.216 0.000 0.968 340 S HN 0.612 nan 8.310 nan 0.000 0.568 341 F N 2.038 122.036 119.950 0.079 0.000 2.161 341 F HA -0.117 4.404 4.527 -0.011 0.000 0.300 341 F C 1.734 177.568 175.800 0.057 0.000 1.089 341 F CA 2.227 60.262 58.000 0.058 0.000 1.282 341 F CB -0.330 38.697 39.000 0.044 0.000 1.010 341 F HN 0.701 nan 8.300 nan 0.000 0.485 342 D N -0.998 119.232 120.400 -0.284 0.000 2.328 342 D HA 0.184 4.818 4.640 -0.010 0.000 0.226 342 D C 1.824 178.018 176.300 -0.178 0.000 1.066 342 D CA 0.764 54.551 54.000 -0.355 0.000 0.861 342 D CB -0.213 40.530 40.800 -0.094 0.000 0.912 342 D HN 0.485 nan 8.370 nan 0.000 0.521 343 G N -0.325 108.410 108.800 -0.109 0.000 2.232 343 G HA2 -0.259 3.695 3.960 -0.010 0.000 0.226 343 G HA3 -0.259 3.695 3.960 -0.010 0.000 0.226 343 G C 0.411 175.309 174.900 -0.003 0.000 0.996 343 G CA 0.107 45.173 45.100 -0.056 0.000 0.626 343 G HN 0.408 nan 8.290 nan 0.000 0.509 344 S N 1.586 117.317 115.700 0.051 0.000 2.568 344 S HA 0.480 4.944 4.470 -0.010 0.000 0.282 344 S C 0.574 175.198 174.600 0.039 0.000 1.338 344 S CA -0.071 58.178 58.200 0.082 0.000 1.045 344 S CB 0.757 64.127 63.200 0.284 0.000 0.873 344 S HN 0.466 nan 8.310 nan 0.000 0.516 345 R N 1.662 122.122 120.500 -0.066 0.000 2.229 345 R HA 0.368 4.702 4.340 -0.010 0.000 0.332 345 R C -1.278 174.977 176.300 -0.075 0.000 0.989 345 R CA -0.466 55.625 56.100 -0.016 0.000 0.842 345 R CB 0.982 31.271 30.300 -0.018 0.000 1.119 345 R HN 0.337 nan 8.270 nan 0.000 0.456 346 V N 5.689 125.588 119.914 -0.025 0.000 2.318 346 V HA 0.220 4.334 4.120 -0.010 0.000 0.271 346 V C -1.995 173.890 176.094 -0.349 0.000 1.030 346 V CA -2.220 60.013 62.300 -0.111 0.000 0.844 346 V CB 1.226 33.096 31.823 0.079 0.000 1.015 346 V HN 0.589 nan 8.190 nan 0.000 0.460 347 P HA 0.257 nan 4.420 nan 0.000 0.271 347 P C -0.315 176.549 177.300 -0.727 0.000 1.233 347 P CA 0.163 62.509 63.100 -1.257 0.000 0.764 347 P CB 0.575 31.210 31.700 -1.773 0.000 0.825 348 T N 3.835 117.952 114.554 -0.728 0.000 2.881 348 T HA 0.337 4.681 4.350 -0.010 0.000 0.291 348 T C -0.760 173.642 174.700 -0.498 0.000 0.990 348 T CA -0.169 61.666 62.100 -0.441 0.000 0.976 348 T CB 0.366 69.000 68.868 -0.390 0.000 0.970 348 T HN 0.128 nan 8.240 nan 0.000 0.438 349 Y N 1.726 121.928 120.300 -0.164 0.000 2.310 349 Y HA 0.565 5.110 4.550 -0.009 0.000 0.326 349 Y C 0.145 176.023 175.900 -0.036 0.000 1.151 349 Y CA -0.437 57.605 58.100 -0.097 0.000 1.195 349 Y CB 1.210 39.644 38.460 -0.044 0.000 1.210 349 Y HN 0.303 nan 8.280 nan 0.000 0.483 350 V N 5.237 125.239 119.914 0.146 0.000 2.525 350 V HA 0.277 4.391 4.120 -0.010 0.000 0.299 350 V C -1.209 174.995 176.094 0.184 0.000 1.034 350 V CA -0.831 61.566 62.300 0.162 0.000 0.863 350 V CB 1.750 33.670 31.823 0.162 0.000 0.999 350 V HN 0.446 nan 8.190 nan 0.000 0.423 351 L N 4.811 126.142 121.223 0.181 0.000 2.276 351 L HA 0.578 4.912 4.340 -0.010 0.000 0.286 351 L C 0.142 177.131 176.870 0.198 0.000 1.024 351 L CA 0.225 55.164 54.840 0.165 0.000 0.826 351 L CB 1.153 43.290 42.059 0.129 0.000 1.211 351 L HN 0.678 nan 8.230 nan 0.000 0.422 352 E N 2.076 122.386 120.200 0.183 0.000 2.343 352 E HA 0.265 4.610 4.350 -0.010 0.000 0.269 352 E C -0.662 176.127 176.600 0.315 0.000 1.047 352 E CA -0.285 56.261 56.400 0.244 0.000 0.874 352 E CB 1.216 30.978 29.700 0.103 0.000 1.033 352 E HN 0.608 nan 8.360 nan 0.000 0.409 353 S N 0.896 116.894 115.700 0.495 0.000 2.508 353 S HA 0.339 4.803 4.470 -0.010 0.000 0.284 353 S C 0.936 175.637 174.600 0.169 0.000 1.192 353 S CA -0.384 57.939 58.200 0.205 0.000 1.070 353 S CB 1.233 64.432 63.200 -0.001 0.000 1.004 353 S HN 0.638 nan 8.310 nan 0.000 0.493 354 G N 3.398 112.261 108.800 0.105 0.000 2.572 354 G HA2 0.003 3.957 3.960 -0.010 0.000 0.216 354 G HA3 0.003 3.957 3.960 -0.010 0.000 0.216 354 G C 1.032 175.952 174.900 0.035 0.000 1.133 354 G CA -0.062 45.086 45.100 0.080 0.000 0.791 354 G HN 0.722 nan 8.290 nan 0.000 0.538 355 R N 0.217 120.714 120.500 -0.005 0.000 2.480 355 R HA 0.520 4.854 4.340 -0.010 0.000 0.277 355 R C 0.089 176.318 176.300 -0.119 0.000 1.008 355 R CA 0.011 56.080 56.100 -0.051 0.000 1.090 355 R CB 0.528 30.793 30.300 -0.058 0.000 1.234 355 R HN 0.250 nan 8.270 nan 0.000 0.549 356 A N 1.321 124.061 122.820 -0.134 0.000 2.475 356 A HA 0.621 4.935 4.320 -0.010 0.000 0.301 356 A C -2.553 175.001 177.584 -0.051 0.000 1.059 356 A CA -1.675 50.230 52.037 -0.220 0.000 0.710 356 A CB 1.356 20.014 19.000 -0.570 0.000 1.288 356 A HN -0.080 nan 8.150 nan 0.000 0.408 357 P HA 0.448 nan 4.420 nan 0.000 0.279 357 P C -0.474 176.941 177.300 0.192 0.000 1.282 357 P CA -0.054 63.086 63.100 0.066 0.000 0.788 357 P CB 0.648 32.360 31.700 0.021 0.000 1.139 358 T N 1.647 116.280 114.554 0.131 0.000 2.892 358 T HA 0.377 4.721 4.350 -0.010 0.000 0.311 358 T C -2.258 172.465 174.700 0.037 0.000 1.033 358 T CA -0.921 61.238 62.100 0.099 0.000 0.991 358 T CB 0.441 69.337 68.868 0.046 0.000 0.981 358 T HN 0.379 nan 8.240 nan 0.000 0.457 359 P HA 0.593 nan 4.420 nan 0.000 0.275 359 P C -0.100 177.253 177.300 0.088 0.000 1.228 359 P CA -0.223 62.905 63.100 0.047 0.000 0.786 359 P CB 1.232 32.934 31.700 0.004 0.000 0.927 360 G N 1.182 110.077 108.800 0.159 0.000 2.788 360 G HA2 0.567 4.522 3.960 -0.010 0.000 0.293 360 G HA3 0.567 4.522 3.960 -0.010 0.000 0.293 360 G C -3.278 171.693 174.900 0.119 0.000 1.392 360 G CA -1.460 43.694 45.100 0.091 0.000 0.810 360 G HN 0.218 nan 8.290 nan 0.000 0.508 361 P HA 0.345 nan 4.420 nan 0.000 0.271 361 P C -0.571 176.939 177.300 0.350 0.000 1.220 361 P CA 0.319 63.547 63.100 0.213 0.000 0.768 361 P CB 1.158 32.892 31.700 0.056 0.000 0.848 362 T N 2.525 117.366 114.554 0.478 0.000 2.881 362 T HA 0.386 4.730 4.350 -0.010 0.000 0.290 362 T C -0.509 174.466 174.700 0.458 0.000 1.000 362 T CA -0.439 61.929 62.100 0.447 0.000 0.978 362 T CB 1.065 70.135 68.868 0.337 0.000 0.997 362 T HN -0.056 nan 8.240 nan 0.000 0.443 363 V N 3.394 123.514 119.914 0.343 0.000 2.435 363 V HA 0.386 4.500 4.120 -0.010 0.000 0.290 363 V C 0.060 176.258 176.094 0.174 0.000 1.030 363 V CA -0.807 61.613 62.300 0.201 0.000 0.881 363 V CB 1.791 33.607 31.823 -0.013 0.000 0.983 363 V HN 0.728 nan 8.190 nan 0.000 0.445 364 V N 6.351 126.343 119.914 0.130 0.000 2.372 364 V HA 0.228 4.342 4.120 -0.010 0.000 0.261 364 V C -0.060 176.041 176.094 0.011 0.000 1.055 364 V CA -0.222 62.146 62.300 0.115 0.000 0.930 364 V CB 1.032 32.965 31.823 0.182 0.000 1.031 364 V HN 0.638 nan 8.190 nan 0.000 0.479 365 L N 7.930 129.187 121.223 0.055 0.000 2.270 365 L HA 0.463 4.797 4.340 -0.010 0.000 0.286 365 L C -0.124 176.776 176.870 0.050 0.000 1.059 365 L CA 0.347 55.202 54.840 0.024 0.000 0.839 365 L CB 1.092 43.179 42.059 0.047 0.000 1.221 365 L HN 0.404 nan 8.230 nan 0.000 0.431 366 V N 5.264 125.183 119.914 0.009 0.000 2.432 366 V HA 0.224 4.338 4.120 -0.010 0.000 0.271 366 V C 0.206 176.359 176.094 0.099 0.000 1.046 366 V CA -0.639 61.693 62.300 0.053 0.000 0.945 366 V CB 0.442 32.245 31.823 -0.034 0.000 0.992 366 V HN 0.928 nan 8.190 nan 0.000 0.471 367 H N 3.013 122.226 119.070 0.239 0.000 2.671 367 H HA 0.627 5.177 4.556 -0.010 0.000 0.372 367 H C 0.535 176.028 175.328 0.275 0.000 1.227 367 H CA 0.210 56.363 56.048 0.175 0.000 1.426 367 H CB 0.645 30.466 29.762 0.098 0.000 1.480 367 H HN 0.644 nan 8.280 nan 0.000 0.611 368 G N -0.927 108.116 108.800 0.405 0.000 2.641 368 G HA2 0.523 4.477 3.960 -0.010 0.000 0.239 368 G HA3 0.523 4.477 3.960 -0.010 0.000 0.239 368 G C 0.480 175.618 174.900 0.397 0.000 1.402 368 G CA -0.558 44.752 45.100 0.351 0.000 1.046 368 G HN 1.328 nan 8.290 nan 0.000 0.565 369 G N -0.530 108.388 108.800 0.196 0.000 2.979 369 G HA2 -0.164 3.790 3.960 -0.010 0.000 0.238 369 G HA3 -0.164 3.790 3.960 -0.010 0.000 0.238 369 G C -1.132 173.624 174.900 -0.240 0.000 1.805 369 G CA 0.639 45.749 45.100 0.017 0.000 1.389 369 G HN 0.799 nan 8.290 nan 0.000 0.517 370 P HA 0.229 nan 4.420 nan 0.000 0.241 370 P C 0.409 177.686 177.300 -0.037 0.000 1.191 370 P CA 0.317 63.269 63.100 -0.247 0.000 0.771 370 P CB -0.239 31.080 31.700 -0.634 0.000 0.929 371 F N 1.281 121.246 119.950 0.025 0.000 2.661 371 F HA 0.459 4.980 4.527 -0.010 0.000 0.356 371 F C 1.099 176.891 175.800 -0.013 0.000 1.244 371 F CA -0.716 57.294 58.000 0.017 0.000 1.290 371 F CB -0.052 38.964 39.000 0.028 0.000 1.677 371 F HN -0.004 nan 8.300 nan 0.000 0.649 372 A N 1.510 124.379 122.820 0.081 0.000 2.602 372 A HA 0.651 4.965 4.320 -0.010 0.000 0.290 372 A C -1.411 175.938 177.584 -0.392 0.000 1.114 372 A CA -0.782 51.188 52.037 -0.112 0.000 0.683 372 A CB 1.878 20.815 19.000 -0.105 0.000 1.281 372 A HN 0.411 nan 8.150 nan 0.000 0.416 373 E N 0.381 120.373 120.200 -0.347 0.000 2.222 373 E HA 0.435 4.779 4.350 -0.010 0.000 0.267 373 E C -1.615 174.826 176.600 -0.265 0.000 0.884 373 E CA -0.609 55.635 56.400 -0.260 0.000 0.764 373 E CB 1.470 31.132 29.700 -0.064 0.000 1.169 373 E HN 0.517 nan 8.360 nan 0.000 0.413 374 D N 2.390 122.709 120.400 -0.136 0.000 2.396 374 D HA 0.180 4.814 4.640 -0.010 0.000 0.225 374 D C -0.454 175.847 176.300 0.002 0.000 1.121 374 D CA 0.106 54.094 54.000 -0.020 0.000 0.853 374 D CB 1.334 42.210 40.800 0.127 0.000 1.043 374 D HN 0.407 nan 8.370 nan 0.000 0.500 375 S N 1.473 117.082 115.700 -0.152 0.000 2.766 375 S HA 0.348 4.812 4.470 -0.010 0.000 0.307 375 S C -0.083 174.119 174.600 -0.664 0.000 1.121 375 S CA -0.878 57.121 58.200 -0.335 0.000 0.980 375 S CB 1.899 64.991 63.200 -0.180 0.000 1.159 375 S HN 0.139 nan 8.310 nan 0.000 0.546 376 D N 0.913 120.833 120.400 -0.800 0.000 2.558 376 D HA 0.471 5.105 4.640 -0.010 0.000 0.221 376 D C -0.907 175.227 176.300 -0.277 0.000 1.143 376 D CA 0.081 53.715 54.000 -0.611 0.000 1.010 376 D CB -0.649 39.878 40.800 -0.454 0.000 1.068 376 D HN 0.443 nan 8.370 nan 0.000 0.511 377 S N 2.031 117.607 115.700 -0.206 0.000 2.546 377 S HA 0.252 4.716 4.470 -0.010 0.000 0.274 377 S C -0.848 173.743 174.600 -0.016 0.000 1.121 377 S CA -0.984 57.156 58.200 -0.100 0.000 0.887 377 S CB 1.282 64.429 63.200 -0.090 0.000 1.094 377 S HN 0.419 nan 8.310 nan 0.000 0.474 378 W N 3.349 124.562 121.300 -0.145 0.000 2.347 378 W HA 0.124 4.778 4.660 -0.010 0.000 0.333 378 W C -0.974 175.507 176.519 -0.063 0.000 1.383 378 W CA 0.934 58.215 57.345 -0.106 0.000 1.283 378 W CB 0.213 29.593 29.460 -0.134 0.000 1.253 378 W HN 0.667 nan 8.180 nan 0.000 0.563 379 D N 4.318 124.366 120.400 -0.587 0.000 2.620 379 D HA 0.169 4.803 4.640 -0.010 0.000 0.252 379 D C 0.871 176.742 176.300 -0.715 0.000 1.207 379 D CA -0.395 53.332 54.000 -0.455 0.000 0.884 379 D CB 1.749 42.430 40.800 -0.198 0.000 1.262 379 D HN 0.254 nan 8.370 nan 0.000 0.552 380 T N 2.546 116.778 114.554 -0.535 0.000 2.737 380 T HA -0.146 4.199 4.350 -0.010 0.000 0.269 380 T C 1.504 176.015 174.700 -0.314 0.000 1.040 380 T CA 1.247 63.087 62.100 -0.433 0.000 1.142 380 T CB -0.277 68.443 68.868 -0.247 0.000 0.861 380 T HN 0.422 nan 8.240 nan 0.000 0.456 381 F N 1.388 121.194 119.950 -0.241 0.000 2.128 381 F HA 0.125 4.646 4.527 -0.010 0.000 0.295 381 F C 2.652 178.368 175.800 -0.141 0.000 1.100 381 F CA 0.739 58.652 58.000 -0.145 0.000 1.260 381 F CB -0.843 38.110 39.000 -0.079 0.000 1.009 381 F HN 0.106 nan 8.300 nan 0.000 0.476 382 A N 0.059 122.897 122.820 0.029 0.000 1.902 382 A HA -0.115 4.200 4.320 -0.010 0.000 0.217 382 A C 2.393 179.924 177.584 -0.087 0.000 1.181 382 A CA 1.871 53.893 52.037 -0.025 0.000 0.623 382 A CB -1.336 17.630 19.000 -0.056 0.000 0.818 382 A HN 0.313 nan 8.150 nan 0.000 0.443 383 A N -0.682 121.979 122.820 -0.265 0.000 1.902 383 A HA -0.061 4.253 4.320 -0.010 0.000 0.217 383 A C 2.442 179.969 177.584 -0.095 0.000 1.181 383 A CA 2.065 53.946 52.037 -0.260 0.000 0.623 383 A CB -0.832 17.790 19.000 -0.630 0.000 0.818 383 A HN 0.452 nan 8.150 nan 0.000 0.443 384 S N -0.164 115.472 115.700 -0.107 0.000 2.383 384 S HA -0.053 4.412 4.470 -0.010 0.000 0.227 384 S C 1.809 176.425 174.600 0.027 0.000 1.026 384 S CA 1.319 59.490 58.200 -0.048 0.000 0.981 384 S CB -0.416 62.714 63.200 -0.117 0.000 0.818 384 S HN 0.505 nan 8.310 nan 0.000 0.472 385 L N 1.096 122.345 121.223 0.043 0.000 2.056 385 L HA -0.111 4.223 4.340 -0.010 0.000 0.207 385 L C 2.823 179.813 176.870 0.200 0.000 1.078 385 L CA 1.202 56.116 54.840 0.124 0.000 0.749 385 L CB -0.739 41.358 42.059 0.064 0.000 0.901 385 L HN 0.313 nan 8.230 nan 0.000 0.433 386 A N 0.223 123.119 122.820 0.127 0.000 1.877 386 A HA -0.210 4.105 4.320 -0.010 0.000 0.216 386 A C 2.555 180.190 177.584 0.085 0.000 1.186 386 A CA 1.815 53.923 52.037 0.119 0.000 0.620 386 A CB -0.852 18.210 19.000 0.104 0.000 0.822 386 A HN 0.398 nan 8.150 nan 0.000 0.443 387 A N -0.352 122.512 122.820 0.073 0.000 1.986 387 A HA 0.084 4.398 4.320 -0.010 0.000 0.220 387 A C 2.252 179.867 177.584 0.052 0.000 1.171 387 A CA 2.161 54.234 52.037 0.060 0.000 0.640 387 A CB -0.795 18.239 19.000 0.056 0.000 0.811 387 A HN 1.216 nan 8.150 nan 0.000 0.451 388 A N -2.095 120.783 122.820 0.096 0.000 2.251 388 A HA 0.441 4.755 4.320 -0.010 0.000 0.209 388 A C 1.560 179.113 177.584 -0.051 0.000 1.187 388 A CA 1.082 53.178 52.037 0.099 0.000 0.823 388 A CB -0.811 18.334 19.000 0.242 0.000 0.846 388 A HN 1.962 nan 8.150 nan 0.000 0.486 389 G N -1.682 107.062 108.800 -0.093 0.000 2.140 389 G HA2 -0.190 3.764 3.960 -0.010 0.000 0.211 389 G HA3 -0.190 3.764 3.960 -0.010 0.000 0.211 389 G C -0.286 174.314 174.900 -0.499 0.000 1.013 389 G CA -0.117 44.803 45.100 -0.299 0.000 0.705 389 G HN 0.329 nan 8.290 nan 0.000 0.508 390 F N 1.193 121.083 119.950 -0.100 0.000 2.507 390 F HA 0.562 5.083 4.527 -0.010 0.000 0.325 390 F C 0.788 176.563 175.800 -0.041 0.000 1.116 390 F CA -1.172 56.780 58.000 -0.081 0.000 0.930 390 F CB 1.278 40.274 39.000 -0.007 0.000 1.146 390 F HN 0.045 nan 8.300 nan 0.000 0.447 391 H N 1.985 121.210 119.070 0.258 0.000 2.790 391 H HA 0.413 4.962 4.556 -0.011 0.000 0.358 391 H C -0.462 175.001 175.328 0.226 0.000 1.103 391 H CA -0.069 56.102 56.048 0.205 0.000 1.426 391 H CB 1.273 31.140 29.762 0.175 0.000 1.424 391 H HN 0.265 nan 8.280 nan 0.000 0.599 392 V N 3.481 123.589 119.914 0.324 0.000 2.531 392 V HA 0.222 4.336 4.120 -0.010 0.000 0.301 392 V C -0.091 176.137 176.094 0.225 0.000 1.034 392 V CA -0.782 61.659 62.300 0.235 0.000 0.865 392 V CB 1.964 33.888 31.823 0.168 0.000 0.995 392 V HN 0.416 nan 8.190 nan 0.000 0.424 393 V N 6.049 126.097 119.914 0.222 0.000 2.448 393 V HA 0.557 4.671 4.120 -0.010 0.000 0.295 393 V C -0.202 175.996 176.094 0.174 0.000 1.025 393 V CA -0.375 62.057 62.300 0.221 0.000 0.859 393 V CB 1.727 33.725 31.823 0.291 0.000 0.988 393 V HN 0.908 nan 8.190 nan 0.000 0.431 394 M N 8.046 127.737 119.600 0.152 0.000 1.999 394 M HA 0.385 4.859 4.480 -0.010 0.000 0.299 394 M C -2.913 173.481 176.300 0.155 0.000 0.900 394 M CA -1.318 54.080 55.300 0.164 0.000 0.904 394 M CB 2.419 35.120 32.600 0.169 0.000 1.477 394 M HN 0.355 nan 8.290 nan 0.000 0.403 395 P HA 0.224 nan 4.420 nan 0.000 0.300 395 P C -1.070 176.364 177.300 0.222 0.000 1.326 395 P CA -0.460 62.729 63.100 0.148 0.000 0.844 395 P CB 0.931 32.735 31.700 0.172 0.000 0.992 396 N N 3.359 122.136 118.700 0.128 0.000 3.050 396 N HA 0.036 4.770 4.740 -0.010 0.000 0.289 396 N C 0.239 175.925 175.510 0.292 0.000 1.209 396 N CA -0.045 53.100 53.050 0.158 0.000 1.154 396 N CB -0.526 37.989 38.487 0.047 0.000 1.444 396 N HN 0.481 nan 8.380 nan 0.000 0.529 397 Y N 0.105 120.580 120.300 0.291 0.000 2.757 397 Y HA -0.026 4.518 4.550 -0.011 0.000 0.344 397 Y C 1.127 177.073 175.900 0.076 0.000 1.263 397 Y CA -1.216 57.019 58.100 0.224 0.000 1.493 397 Y CB 0.319 38.835 38.460 0.094 0.000 1.342 397 Y HN 0.271 nan 8.280 nan 0.000 0.627 398 R N 1.698 122.099 120.500 -0.164 0.000 2.640 398 R HA 0.376 4.711 4.340 -0.010 0.000 0.270 398 R C 0.881 176.952 176.300 -0.381 0.000 1.024 398 R CA 0.491 55.879 56.100 -1.188 0.000 1.085 398 R CB -0.089 29.350 30.300 -1.435 0.000 0.963 398 R HN 1.380 nan 8.270 nan 0.000 0.426 399 G N 1.763 110.337 108.800 -0.377 0.000 2.279 399 G HA2 -0.289 3.665 3.960 -0.010 0.000 0.223 399 G HA3 -0.289 3.665 3.960 -0.010 0.000 0.223 399 G C -0.094 174.881 174.900 0.124 0.000 1.015 399 G CA 0.107 45.226 45.100 0.032 0.000 0.621 399 G HN 0.704 nan 8.290 nan 0.000 0.506 400 S N 1.586 117.278 115.700 -0.012 0.000 2.576 400 S HA 0.491 4.955 4.470 -0.010 0.000 0.272 400 S C 0.898 175.642 174.600 0.240 0.000 1.352 400 S CA 0.648 58.918 58.200 0.116 0.000 1.021 400 S CB 1.099 64.410 63.200 0.186 0.000 0.887 400 S HN 1.310 nan 8.310 nan 0.000 0.542 401 T N -1.716 112.945 114.554 0.178 0.000 2.881 401 T HA 0.668 5.012 4.350 -0.010 0.000 0.278 401 T C 1.144 175.959 174.700 0.192 0.000 0.982 401 T CA -0.113 62.086 62.100 0.165 0.000 0.989 401 T CB 1.091 70.007 68.868 0.081 0.000 1.058 401 T HN 1.276 nan 8.240 nan 0.000 0.529 402 G N -0.264 108.582 108.800 0.078 0.000 2.195 402 G HA2 -0.205 3.749 3.960 -0.010 0.000 0.224 402 G HA3 -0.205 3.749 3.960 -0.010 0.000 0.224 402 G C 0.064 174.680 174.900 -0.472 0.000 0.990 402 G CA 0.109 45.104 45.100 -0.174 0.000 0.639 402 G HN 0.792 nan 8.290 nan 0.000 0.514 403 Y N 0.677 121.041 120.300 0.107 0.000 2.712 403 Y HA 0.492 5.037 4.550 -0.009 0.000 0.250 403 Y C 1.138 177.100 175.900 0.104 0.000 1.101 403 Y CA 0.217 58.363 58.100 0.077 0.000 1.118 403 Y CB 1.121 39.582 38.460 0.001 0.000 1.203 403 Y HN 1.251 nan 8.280 nan 0.000 0.587 404 G N 0.660 109.560 108.800 0.167 0.000 2.692 404 G HA2 -0.235 3.719 3.960 -0.010 0.000 0.686 404 G HA3 -0.235 3.719 3.960 -0.010 0.000 0.686 404 G C 0.152 175.154 174.900 0.171 0.000 1.243 404 G CA -0.159 45.024 45.100 0.138 0.000 0.782 404 G HN 0.218 nan 8.290 nan 0.000 0.625 405 E N -0.048 120.210 120.200 0.097 0.000 2.106 405 E HA -0.083 4.261 4.350 -0.010 0.000 0.192 405 E C 2.165 178.822 176.600 0.095 0.000 0.984 405 E CA 2.082 58.521 56.400 0.064 0.000 0.806 405 E CB -0.118 29.592 29.700 0.016 0.000 0.750 405 E HN 0.689 nan 8.360 nan 0.000 0.458 406 E N -0.395 119.881 120.200 0.127 0.000 2.058 406 E HA -0.223 4.122 4.350 -0.010 0.000 0.194 406 E C 1.857 178.595 176.600 0.230 0.000 0.997 406 E CA 1.292 57.780 56.400 0.147 0.000 0.801 406 E CB -0.484 29.302 29.700 0.143 0.000 0.746 406 E HN 0.557 nan 8.360 nan 0.000 0.450 407 W N 1.611 122.956 121.300 0.076 0.000 2.363 407 W HA -0.172 4.483 4.660 -0.010 0.000 0.296 407 W C 2.371 178.959 176.519 0.115 0.000 1.212 407 W CA 1.273 58.679 57.345 0.102 0.000 1.260 407 W CB -0.094 29.447 29.460 0.135 0.000 1.131 407 W HN 0.098 nan 8.180 nan 0.000 0.530 408 R N 0.512 121.100 120.500 0.148 0.000 2.075 408 R HA -0.156 4.178 4.340 -0.010 0.000 0.232 408 R C 2.367 178.672 176.300 0.008 0.000 1.126 408 R CA 1.386 57.511 56.100 0.043 0.000 0.963 408 R CB -0.736 29.577 30.300 0.021 0.000 0.858 408 R HN 0.233 nan 8.270 nan 0.000 0.435 409 L N 0.628 121.850 121.223 -0.001 0.000 2.362 409 L HA -0.094 4.240 4.340 -0.010 0.000 0.219 409 L C 2.193 179.060 176.870 -0.005 0.000 1.134 409 L CA 1.017 55.855 54.840 -0.004 0.000 0.807 409 L CB -0.196 41.859 42.059 -0.006 0.000 0.927 409 L HN 0.167 nan 8.230 nan 0.000 0.447 410 K N 0.180 120.551 120.400 -0.049 0.000 2.280 410 K HA -0.163 4.151 4.320 -0.010 0.000 0.202 410 K C 2.012 178.567 176.600 -0.075 0.000 1.047 410 K CA 1.045 57.286 56.287 -0.076 0.000 0.942 410 K CB -0.053 32.353 32.500 -0.156 0.000 0.739 410 K HN 0.289 nan 8.250 nan 0.000 0.457 411 I N 1.118 121.653 120.570 -0.057 0.000 2.493 411 I HA -0.134 4.030 4.170 -0.010 0.000 0.254 411 I C 0.134 176.249 176.117 -0.004 0.000 1.160 411 I CA 0.399 61.693 61.300 -0.011 0.000 1.445 411 I CB 0.298 38.320 38.000 0.038 0.000 1.086 411 I HN -0.024 nan 8.210 nan 0.000 0.433 412 I N 2.414 122.991 120.570 0.012 0.000 2.664 412 I HA 0.051 4.215 4.170 -0.010 0.000 0.284 412 I C 1.421 177.507 176.117 -0.052 0.000 1.154 412 I CA 1.183 62.472 61.300 -0.018 0.000 1.402 412 I CB -0.640 37.364 38.000 0.005 0.000 1.395 412 I HN 0.509 nan 8.210 nan 0.000 0.545 413 G N 5.513 114.255 108.800 -0.098 0.000 2.179 413 G HA2 -0.217 3.737 3.960 -0.010 0.000 0.220 413 G HA3 -0.217 3.737 3.960 -0.010 0.000 0.220 413 G C 0.207 175.061 174.900 -0.077 0.000 0.990 413 G CA 0.160 45.203 45.100 -0.095 0.000 0.646 413 G HN 0.578 nan 8.290 nan 0.000 0.517 414 D N 0.647 121.011 120.400 -0.060 0.000 3.100 414 D HA 0.319 4.953 4.640 -0.010 0.000 0.350 414 D C -2.167 174.147 176.300 0.024 0.000 1.310 414 D CA -0.957 53.034 54.000 -0.015 0.000 0.741 414 D CB 1.204 42.004 40.800 0.001 0.000 1.248 414 D HN 0.291 nan 8.370 nan 0.000 0.527 415 P HA 0.070 nan 4.420 nan 0.000 0.271 415 P C 0.401 177.831 177.300 0.217 0.000 1.218 415 P CA -0.075 63.127 63.100 0.170 0.000 0.780 415 P CB 1.315 33.062 31.700 0.077 0.000 0.901 416 C N 1.966 121.422 119.300 0.259 0.000 4.167 416 C HA -0.092 4.362 4.460 -0.010 0.000 0.302 416 C C 1.180 176.199 174.990 0.049 0.000 1.384 416 C CA 0.999 60.072 59.018 0.093 0.000 2.041 416 C CB -2.263 25.533 27.740 0.092 0.000 1.303 416 C HN 0.873 nan 8.230 nan 0.000 0.718 417 G N -0.119 108.714 108.800 0.055 0.000 3.190 417 G HA2 0.511 4.465 3.960 -0.010 0.000 0.191 417 G HA3 0.511 4.465 3.960 -0.010 0.000 0.191 417 G C 1.178 176.109 174.900 0.052 0.000 1.523 417 G CA 0.751 45.877 45.100 0.042 0.000 0.842 417 G HN 1.124 nan 8.290 nan 0.000 0.782 418 G N 1.000 109.837 108.800 0.062 0.000 2.469 418 G HA2 -0.193 3.761 3.960 -0.010 0.000 0.219 418 G HA3 -0.193 3.761 3.960 -0.010 0.000 0.219 418 G C 1.563 176.512 174.900 0.080 0.000 1.150 418 G CA 1.957 47.104 45.100 0.079 0.000 0.763 418 G HN 0.598 nan 8.290 nan 0.000 0.561 419 E N 0.851 121.087 120.200 0.060 0.000 2.072 419 E HA -0.122 4.223 4.350 -0.010 0.000 0.191 419 E C 2.473 179.087 176.600 0.025 0.000 0.985 419 E CA 1.160 57.603 56.400 0.071 0.000 0.801 419 E CB -0.800 28.953 29.700 0.087 0.000 0.750 419 E HN 0.368 nan 8.360 nan 0.000 0.452 420 L N 1.790 123.012 121.223 -0.001 0.000 2.012 420 L HA -0.149 4.185 4.340 -0.010 0.000 0.210 420 L C 2.293 179.186 176.870 0.038 0.000 1.073 420 L CA 2.017 56.847 54.840 -0.017 0.000 0.748 420 L CB -0.555 41.478 42.059 -0.043 0.000 0.891 420 L HN -0.052 nan 8.230 nan 0.000 0.431 421 E N 0.071 120.309 120.200 0.064 0.000 2.171 421 E HA -0.228 4.116 4.350 -0.010 0.000 0.197 421 E C 1.864 178.552 176.600 0.147 0.000 0.997 421 E CA 1.429 57.891 56.400 0.104 0.000 0.810 421 E CB -0.378 29.417 29.700 0.157 0.000 0.738 421 E HN 0.637 nan 8.360 nan 0.000 0.467 422 D N 0.105 120.605 120.400 0.168 0.000 2.103 422 D HA -0.088 4.546 4.640 -0.010 0.000 0.199 422 D C 2.190 178.604 176.300 0.191 0.000 0.978 422 D CA 0.586 54.715 54.000 0.215 0.000 0.829 422 D CB -0.307 40.669 40.800 0.293 0.000 0.981 422 D HN 0.005 nan 8.370 nan 0.000 0.464 423 V N 0.849 120.862 119.914 0.164 0.000 2.332 423 V HA -0.243 3.872 4.120 -0.010 0.000 0.248 423 V C 2.616 178.826 176.094 0.193 0.000 1.055 423 V CA 1.957 64.359 62.300 0.169 0.000 1.038 423 V CB -0.554 31.328 31.823 0.098 0.000 0.651 423 V HN 0.193 nan 8.190 nan 0.000 0.450 424 S N -0.468 115.314 115.700 0.138 0.000 2.368 424 S HA -0.173 4.292 4.470 -0.010 0.000 0.225 424 S C 2.113 176.768 174.600 0.093 0.000 1.030 424 S CA 1.583 59.829 58.200 0.077 0.000 0.999 424 S CB -0.304 62.914 63.200 0.030 0.000 0.844 424 S HN 0.626 nan 8.310 nan 0.000 0.459 425 A N 1.225 124.126 122.820 0.135 0.000 1.930 425 A HA 0.243 4.558 4.320 -0.010 0.000 0.217 425 A C 2.437 180.145 177.584 0.206 0.000 1.175 425 A CA 1.726 53.859 52.037 0.160 0.000 0.627 425 A CB -1.303 17.798 19.000 0.168 0.000 0.815 425 A HN 0.719 nan 8.150 nan 0.000 0.443 426 A N 0.120 123.062 122.820 0.204 0.000 1.883 426 A HA 0.083 4.397 4.320 -0.010 0.000 0.217 426 A C 2.532 180.318 177.584 0.337 0.000 1.186 426 A CA 2.341 54.532 52.037 0.257 0.000 0.624 426 A CB -1.128 17.996 19.000 0.206 0.000 0.822 426 A HN 1.088 nan 8.150 nan 0.000 0.444 427 A N -0.163 122.806 122.820 0.248 0.000 1.883 427 A HA -0.197 4.117 4.320 -0.010 0.000 0.217 427 A C 2.242 179.892 177.584 0.111 0.000 1.186 427 A CA 1.692 53.839 52.037 0.184 0.000 0.624 427 A CB -0.493 18.516 19.000 0.014 0.000 0.822 427 A HN 0.581 nan 8.150 nan 0.000 0.444 428 R N -2.226 118.329 120.500 0.093 0.000 2.115 428 R HA -0.167 4.167 4.340 -0.010 0.000 0.230 428 R C 2.008 178.367 176.300 0.098 0.000 1.111 428 R CA 1.440 57.575 56.100 0.059 0.000 0.976 428 R CB -0.393 29.940 30.300 0.055 0.000 0.870 428 R HN 0.817 nan 8.270 nan 0.000 0.445 429 W N 1.584 122.902 121.300 0.030 0.000 2.388 429 W HA -0.119 4.545 4.660 0.006 0.000 0.294 429 W C 2.132 178.670 176.519 0.031 0.000 1.212 429 W CA 1.478 58.842 57.345 0.032 0.000 1.271 429 W CB -0.183 29.300 29.460 0.039 0.000 1.126 429 W HN 0.060 nan 8.180 nan 0.000 0.535 430 A N 0.911 123.698 122.820 -0.056 0.000 1.877 430 A HA -0.187 4.128 4.320 -0.010 0.000 0.216 430 A C 2.134 179.511 177.584 -0.345 0.000 1.186 430 A CA 1.874 53.708 52.037 -0.337 0.000 0.620 430 A CB -1.010 18.048 19.000 0.097 0.000 0.822 430 A HN 0.433 nan 8.150 nan 0.000 0.443 431 R N -0.158 120.237 120.500 -0.175 0.000 2.070 431 R HA -0.156 4.178 4.340 -0.010 0.000 0.233 431 R C 2.010 178.193 176.300 -0.195 0.000 1.137 431 R CA 1.884 57.896 56.100 -0.146 0.000 0.945 431 R CB -0.275 29.972 30.300 -0.087 0.000 0.845 431 R HN 0.677 nan 8.270 nan 0.000 0.430 432 E N -0.202 119.870 120.200 -0.213 0.000 2.208 432 E HA -0.103 4.241 4.350 -0.010 0.000 0.193 432 E C 1.784 178.234 176.600 -0.251 0.000 0.988 432 E CA 1.283 57.576 56.400 -0.178 0.000 0.828 432 E CB 0.127 29.767 29.700 -0.100 0.000 0.763 432 E HN 0.424 nan 8.360 nan 0.000 0.478 433 S N -0.789 114.619 115.700 -0.487 0.000 2.527 433 S HA 0.119 4.583 4.470 -0.010 0.000 0.222 433 S C 1.634 176.035 174.600 -0.331 0.000 0.985 433 S CA 0.493 58.400 58.200 -0.489 0.000 0.921 433 S CB 0.470 63.056 63.200 -1.022 0.000 0.772 433 S HN 0.356 nan 8.310 nan 0.000 0.529 434 G N 0.522 109.141 108.800 -0.302 0.000 2.176 434 G HA2 -0.234 3.720 3.960 -0.010 0.000 0.232 434 G HA3 -0.234 3.720 3.960 -0.010 0.000 0.232 434 G C 0.442 175.236 174.900 -0.178 0.000 0.986 434 G CA 0.276 45.264 45.100 -0.187 0.000 0.643 434 G HN 0.544 nan 8.290 nan 0.000 0.522 435 L N 1.120 122.177 121.223 -0.277 0.000 2.044 435 L HA 0.688 5.023 4.340 -0.010 0.000 0.205 435 L C 1.755 178.603 176.870 -0.036 0.000 1.075 435 L CA 2.596 57.310 54.840 -0.208 0.000 0.747 435 L CB -0.393 41.493 42.059 -0.288 0.000 0.903 435 L HN 0.914 nan 8.230 nan 0.000 0.435 436 A N -1.628 121.165 122.820 -0.045 0.000 2.288 436 A HA 0.515 4.829 4.320 -0.010 0.000 0.320 436 A C 1.034 178.630 177.584 0.021 0.000 1.217 436 A CA 0.143 52.211 52.037 0.052 0.000 0.840 436 A CB 0.714 19.747 19.000 0.055 0.000 1.179 436 A HN 0.423 nan 8.150 nan 0.000 0.504 437 S N 1.500 117.231 115.700 0.051 0.000 2.421 437 S HA 0.100 4.564 4.470 -0.010 0.000 0.224 437 S C 0.467 175.070 174.600 0.005 0.000 1.035 437 S CA 0.729 58.940 58.200 0.019 0.000 0.953 437 S CB -0.278 62.936 63.200 0.024 0.000 0.810 437 S HN 0.887 nan 8.310 nan 0.000 0.497 438 E N 0.014 120.229 120.200 0.025 0.000 2.366 438 E HA 0.644 4.988 4.350 -0.010 0.000 0.278 438 E C -1.766 174.796 176.600 -0.062 0.000 0.923 438 E CA -1.034 55.336 56.400 -0.050 0.000 0.761 438 E CB 1.268 30.926 29.700 -0.069 0.000 1.231 438 E HN 0.182 nan 8.360 nan 0.000 0.443 439 L N 2.108 123.224 121.223 -0.179 0.000 2.346 439 L HA 0.582 4.916 4.340 -0.010 0.000 0.274 439 L C -1.204 175.548 176.870 -0.197 0.000 1.007 439 L CA -0.781 54.055 54.840 -0.007 0.000 0.818 439 L CB 1.114 43.250 42.059 0.128 0.000 1.284 439 L HN 0.594 nan 8.230 nan 0.000 0.424 440 Y N 2.325 122.801 120.300 0.294 0.000 2.605 440 Y HA 0.655 5.200 4.550 -0.009 0.000 0.343 440 Y C -0.490 175.260 175.900 -0.249 0.000 1.036 440 Y CA -0.744 57.410 58.100 0.091 0.000 1.065 440 Y CB 2.376 40.831 38.460 -0.009 0.000 1.288 440 Y HN 0.347 nan 8.280 nan 0.000 0.481 441 I N 3.132 123.427 120.570 -0.458 0.000 2.608 441 I HA 0.657 4.821 4.170 -0.010 0.000 0.295 441 I C -1.446 174.463 176.117 -0.346 0.000 1.049 441 I CA -0.922 59.913 61.300 -0.774 0.000 1.063 441 I CB 1.641 38.662 38.000 -1.631 0.000 1.248 441 I HN 0.806 nan 8.210 nan 0.000 0.424 442 M N 7.047 126.486 119.600 -0.268 0.000 2.322 442 M HA 0.732 5.206 4.480 -0.010 0.000 0.285 442 M C -1.488 174.676 176.300 -0.225 0.000 1.119 442 M CA -0.128 55.042 55.300 -0.217 0.000 0.953 442 M CB 2.038 34.549 32.600 -0.147 0.000 1.701 442 M HN 0.732 nan 8.290 nan 0.000 0.479 443 G N 2.284 110.889 108.800 -0.325 0.000 2.550 443 G HA2 0.620 4.574 3.960 -0.010 0.000 0.293 443 G HA3 0.620 4.574 3.960 -0.010 0.000 0.293 443 G C -2.658 171.941 174.900 -0.503 0.000 1.402 443 G CA -0.533 44.384 45.100 -0.306 0.000 0.784 443 G HN 0.661 nan 8.290 nan 0.000 0.482 444 Y N -0.126 120.112 120.300 -0.102 0.000 2.570 444 Y HA 0.680 5.224 4.550 -0.010 0.000 0.345 444 Y C 1.168 177.059 175.900 -0.016 0.000 1.014 444 Y CA 0.438 58.490 58.100 -0.079 0.000 1.063 444 Y CB 2.146 40.520 38.460 -0.143 0.000 1.272 444 Y HN 1.392 nan 8.280 nan 0.000 0.477 445 S N 0.818 116.595 115.700 0.128 0.000 4.054 445 S HA -0.449 4.015 4.470 -0.010 0.000 0.618 445 S C 1.058 175.758 174.600 0.166 0.000 2.026 445 S CA 1.755 60.029 58.200 0.124 0.000 4.205 445 S CB -1.530 61.738 63.200 0.114 0.000 0.233 445 S HN 0.890 nan 8.310 nan 0.000 0.612 446 Y N 2.422 122.797 120.300 0.125 0.000 2.333 446 Y HA 0.110 4.654 4.550 -0.010 0.000 0.290 446 Y C 2.449 178.433 175.900 0.141 0.000 1.144 446 Y CA 2.382 60.597 58.100 0.192 0.000 1.228 446 Y CB -1.028 37.553 38.460 0.202 0.000 0.985 446 Y HN 0.627 nan 8.280 nan 0.000 0.542 447 G N -0.735 108.163 108.800 0.164 0.000 2.422 447 G HA2 -0.251 3.703 3.960 -0.010 0.000 0.218 447 G HA3 -0.251 3.703 3.960 -0.010 0.000 0.218 447 G C 1.900 176.740 174.900 -0.100 0.000 1.146 447 G CA 0.771 45.878 45.100 0.011 0.000 0.769 447 G HN 0.558 nan 8.290 nan 0.000 0.547 448 G N -0.150 108.603 108.800 -0.078 0.000 2.404 448 G HA2 -0.240 3.714 3.960 -0.010 0.000 0.215 448 G HA3 -0.240 3.714 3.960 -0.010 0.000 0.215 448 G C 1.621 176.452 174.900 -0.116 0.000 1.174 448 G CA 1.043 46.068 45.100 -0.125 0.000 0.780 448 G HN 0.403 nan 8.290 nan 0.000 0.537 449 Y N 0.894 121.050 120.300 -0.240 0.000 2.151 449 Y HA -0.183 4.362 4.550 -0.009 0.000 0.284 449 Y C 2.746 178.462 175.900 -0.308 0.000 1.166 449 Y CA 1.841 59.748 58.100 -0.321 0.000 1.163 449 Y CB -0.073 38.101 38.460 -0.476 0.000 0.974 449 Y HN 0.084 nan 8.280 nan 0.000 0.511 450 M N -0.691 118.675 119.600 -0.391 0.000 2.175 450 M HA -0.188 4.286 4.480 -0.010 0.000 0.264 450 M C 2.067 178.179 176.300 -0.313 0.000 1.063 450 M CA 1.861 56.911 55.300 -0.416 0.000 1.119 450 M CB -1.424 30.985 32.600 -0.318 0.000 1.377 450 M HN 0.252 nan 8.290 nan 0.000 0.415 451 T N 1.514 115.912 114.554 -0.260 0.000 2.684 451 T HA -0.114 4.230 4.350 -0.010 0.000 0.267 451 T C 1.993 176.581 174.700 -0.187 0.000 1.036 451 T CA 1.163 63.130 62.100 -0.221 0.000 1.148 451 T CB -0.272 68.466 68.868 -0.216 0.000 0.863 451 T HN 0.319 nan 8.240 nan 0.000 0.436 452 L N 0.248 121.339 121.223 -0.220 0.000 2.093 452 L HA -0.096 4.239 4.340 -0.010 0.000 0.208 452 L C 2.854 179.598 176.870 -0.211 0.000 1.085 452 L CA 0.860 55.585 54.840 -0.192 0.000 0.755 452 L CB -0.626 41.322 42.059 -0.186 0.000 0.904 452 L HN 0.393 nan 8.230 nan 0.000 0.435 453 C N -0.390 118.705 119.300 -0.342 0.000 2.440 453 C HA -0.065 4.390 4.460 -0.010 0.000 0.278 453 C C 3.140 178.033 174.990 -0.161 0.000 1.295 453 C CA 0.576 59.412 59.018 -0.303 0.000 1.738 453 C CB -0.966 26.496 27.740 -0.463 0.000 1.987 453 C HN 0.605 nan 8.230 nan 0.000 0.492 454 A N 0.297 123.055 122.820 -0.104 0.000 1.877 454 A HA -0.097 4.217 4.320 -0.010 0.000 0.216 454 A C 1.905 179.519 177.584 0.050 0.000 1.186 454 A CA 1.520 53.583 52.037 0.042 0.000 0.620 454 A CB -0.565 18.571 19.000 0.227 0.000 0.822 454 A HN 0.439 nan 8.150 nan 0.000 0.443 455 L N 0.307 121.545 121.223 0.026 0.000 2.201 455 L HA -0.083 4.251 4.340 -0.010 0.000 0.212 455 L C 2.785 179.650 176.870 -0.007 0.000 1.105 455 L CA 2.322 57.184 54.840 0.036 0.000 0.775 455 L CB -0.831 41.243 42.059 0.026 0.000 0.913 455 L HN 0.686 nan 8.230 nan 0.000 0.440 456 T N -5.613 108.915 114.554 -0.044 0.000 3.010 456 T HA -0.009 4.335 4.350 -0.010 0.000 0.252 456 T C 1.571 176.208 174.700 -0.105 0.000 1.047 456 T CA 0.409 62.475 62.100 -0.056 0.000 1.140 456 T CB 0.009 68.852 68.868 -0.042 0.000 0.885 456 T HN -0.007 nan 8.240 nan 0.000 0.464 457 M N 0.578 120.106 119.600 -0.119 0.000 2.414 457 M HA 0.383 4.857 4.480 -0.010 0.000 0.251 457 M C 0.385 176.622 176.300 -0.105 0.000 1.116 457 M CA 0.471 55.685 55.300 -0.142 0.000 1.056 457 M CB -0.023 32.483 32.600 -0.156 0.000 1.388 457 M HN 0.156 nan 8.290 nan 0.000 0.487 458 K N 1.297 121.653 120.400 -0.074 0.000 3.253 458 K HA 0.324 4.638 4.320 -0.010 0.000 0.174 458 K C -2.649 173.914 176.600 -0.061 0.000 1.071 458 K CA -1.098 55.143 56.287 -0.077 0.000 0.836 458 K CB 1.392 33.842 32.500 -0.084 0.000 0.922 458 K HN 0.068 nan 8.250 nan 0.000 0.565 459 P HA -0.004 nan 4.420 nan 0.000 0.269 459 P C 0.824 178.094 177.300 -0.051 0.000 1.209 459 P CA 0.952 64.035 63.100 -0.029 0.000 0.776 459 P CB 0.872 32.556 31.700 -0.026 0.000 0.876 460 G N 1.271 110.047 108.800 -0.040 0.000 2.184 460 G HA2 -0.318 3.636 3.960 -0.010 0.000 0.264 460 G HA3 -0.318 3.636 3.960 -0.010 0.000 0.264 460 G C 0.516 175.343 174.900 -0.123 0.000 0.975 460 G CA 0.369 45.432 45.100 -0.063 0.000 0.642 460 G HN 0.568 nan 8.290 nan 0.000 0.536 461 L N -0.397 120.710 121.223 -0.193 0.000 2.084 461 L HA 0.562 4.896 4.340 -0.010 0.000 0.202 461 L C 1.110 177.691 176.870 -0.481 0.000 1.074 461 L CA 1.179 55.791 54.840 -0.381 0.000 0.757 461 L CB -0.212 41.522 42.059 -0.541 0.000 0.918 461 L HN 0.202 nan 8.230 nan 0.000 0.444 462 F N -0.293 119.625 119.950 -0.053 0.000 2.422 462 F HA 0.281 4.802 4.527 -0.009 0.000 0.333 462 F C 1.531 177.277 175.800 -0.091 0.000 1.095 462 F CA -0.437 57.516 58.000 -0.077 0.000 1.038 462 F CB 1.103 40.086 39.000 -0.029 0.000 1.156 462 F HN -0.183 nan 8.300 nan 0.000 0.483 463 K N 1.561 121.965 120.400 0.007 0.000 2.217 463 K HA 0.292 4.606 4.320 -0.010 0.000 0.202 463 K C -0.069 176.597 176.600 0.111 0.000 1.051 463 K CA 0.825 57.084 56.287 -0.046 0.000 0.952 463 K CB 0.204 32.535 32.500 -0.281 0.000 0.736 463 K HN 0.749 nan 8.250 nan 0.000 0.453 464 A N -0.890 122.069 122.820 0.232 0.000 2.586 464 A HA 0.588 4.902 4.320 -0.010 0.000 0.291 464 A C -1.109 176.670 177.584 0.325 0.000 1.062 464 A CA -0.430 51.811 52.037 0.340 0.000 0.666 464 A CB 1.212 20.443 19.000 0.385 0.000 1.281 464 A HN 0.164 nan 8.150 nan 0.000 0.421 465 G N -0.654 108.327 108.800 0.300 0.000 2.620 465 G HA2 0.642 4.596 3.960 -0.010 0.000 0.301 465 G HA3 0.642 4.596 3.960 -0.010 0.000 0.301 465 G C -1.525 173.407 174.900 0.053 0.000 1.347 465 G CA -0.509 44.651 45.100 0.100 0.000 0.971 465 G HN 1.256 nan 8.290 nan 0.000 0.488 466 V N 0.828 120.704 119.914 -0.064 0.000 2.384 466 V HA 0.723 4.837 4.120 -0.010 0.000 0.287 466 V C 0.271 176.220 176.094 -0.242 0.000 1.020 466 V CA -0.736 61.464 62.300 -0.167 0.000 0.850 466 V CB 1.277 33.019 31.823 -0.135 0.000 0.987 466 V HN 1.122 nan 8.190 nan 0.000 0.436 467 A N 3.790 126.477 122.820 -0.223 0.000 2.285 467 A HA 0.834 5.148 4.320 -0.010 0.000 0.310 467 A C 0.254 177.728 177.584 -0.183 0.000 1.266 467 A CA -0.185 51.723 52.037 -0.215 0.000 0.832 467 A CB 0.980 19.894 19.000 -0.144 0.000 1.163 467 A HN 1.009 nan 8.150 nan 0.000 0.499 468 G N 0.838 109.459 108.800 -0.298 0.000 2.388 468 G HA2 0.641 4.595 3.960 -0.010 0.000 0.330 468 G HA3 0.641 4.595 3.960 -0.010 0.000 0.330 468 G C 0.693 175.633 174.900 0.068 0.000 1.142 468 G CA 0.086 45.145 45.100 -0.067 0.000 0.908 468 G HN 2.294 nan 8.290 nan 0.000 0.473 469 A N 0.804 123.662 122.820 0.063 0.000 2.665 469 A HA -0.062 4.253 4.320 -0.010 0.000 0.301 469 A C 1.220 178.823 177.584 0.031 0.000 1.509 469 A CA 1.059 53.026 52.037 -0.117 0.000 0.789 469 A CB -2.166 16.795 19.000 -0.065 0.000 1.024 469 A HN 2.175 nan 8.150 nan 0.000 0.460 470 S N -1.579 114.210 115.700 0.147 0.000 2.669 470 S HA 0.726 5.190 4.470 -0.010 0.000 0.270 470 S C 0.199 174.843 174.600 0.074 0.000 1.225 470 S CA -0.322 57.925 58.200 0.078 0.000 0.991 470 S CB 1.950 65.161 63.200 0.018 0.000 0.987 470 S HN 1.139 nan 8.310 nan 0.000 0.552 471 V N 1.272 121.144 119.914 -0.069 0.000 2.532 471 V HA 0.417 4.531 4.120 -0.010 0.000 0.295 471 V C 0.434 176.350 176.094 -0.296 0.000 1.041 471 V CA -0.405 61.743 62.300 -0.255 0.000 0.926 471 V CB 1.681 33.115 31.823 -0.649 0.000 0.992 471 V HN 0.876 nan 8.190 nan 0.000 0.457 472 V N 1.845 121.580 119.914 -0.298 0.000 3.371 472 V HA 0.317 4.432 4.120 -0.010 0.000 0.246 472 V C -0.348 175.601 176.094 -0.242 0.000 1.303 472 V CA 0.525 62.695 62.300 -0.216 0.000 1.156 472 V CB 1.023 32.749 31.823 -0.162 0.000 0.929 472 V HN 0.925 nan 8.190 nan 0.000 0.459 473 D N -1.818 118.414 120.400 -0.279 0.000 2.602 473 D HA 0.160 4.795 4.640 -0.010 0.000 0.245 473 D C 0.070 176.284 176.300 -0.144 0.000 1.325 473 D CA -0.526 53.366 54.000 -0.180 0.000 0.952 473 D CB 0.898 41.647 40.800 -0.084 0.000 1.317 473 D HN 0.150 nan 8.370 nan 0.000 0.577 474 W N 2.277 123.563 121.300 -0.025 0.000 2.388 474 W HA 0.013 4.667 4.660 -0.010 0.000 0.294 474 W C 2.160 178.663 176.519 -0.027 0.000 1.212 474 W CA 0.230 57.538 57.345 -0.062 0.000 1.271 474 W CB 0.269 29.660 29.460 -0.114 0.000 1.126 474 W HN 0.519 nan 8.180 nan 0.000 0.535 475 E N 0.900 121.231 120.200 0.219 0.000 2.051 475 E HA -0.285 4.060 4.350 -0.010 0.000 0.192 475 E C 1.978 178.674 176.600 0.160 0.000 0.991 475 E CA 1.577 58.068 56.400 0.151 0.000 0.799 475 E CB -0.142 29.609 29.700 0.085 0.000 0.748 475 E HN 0.349 nan 8.360 nan 0.000 0.449 476 E N -0.175 120.087 120.200 0.103 0.000 2.038 476 E HA -0.227 4.117 4.350 -0.010 0.000 0.195 476 E C 2.149 178.814 176.600 0.108 0.000 1.000 476 E CA 1.483 57.931 56.400 0.079 0.000 0.803 476 E CB 0.017 29.737 29.700 0.034 0.000 0.750 476 E HN 0.226 nan 8.360 nan 0.000 0.448 477 M N -0.253 119.422 119.600 0.125 0.000 2.117 477 M HA -0.164 4.310 4.480 -0.010 0.000 0.262 477 M C 2.237 178.632 176.300 0.159 0.000 1.065 477 M CA 1.161 56.549 55.300 0.147 0.000 1.114 477 M CB -0.853 31.839 32.600 0.152 0.000 1.361 477 M HN 0.284 nan 8.290 nan 0.000 0.408 478 Y N 1.294 121.615 120.300 0.036 0.000 2.298 478 Y HA -0.268 4.276 4.550 -0.010 0.000 0.287 478 Y C 2.122 178.037 175.900 0.025 0.000 1.164 478 Y CA 2.009 60.111 58.100 0.003 0.000 1.229 478 Y CB -0.165 38.293 38.460 -0.003 0.000 0.977 478 Y HN 0.252 nan 8.280 nan 0.000 0.538 479 E N -0.759 119.471 120.200 0.050 0.000 2.166 479 E HA 0.032 4.376 4.350 -0.010 0.000 0.192 479 E C 2.147 178.739 176.600 -0.013 0.000 0.967 479 E CA 0.457 56.841 56.400 -0.026 0.000 0.840 479 E CB -0.206 29.520 29.700 0.044 0.000 0.795 479 E HN 0.453 nan 8.360 nan 0.000 0.470 480 L N 0.494 121.740 121.223 0.039 0.000 2.044 480 L HA -0.001 4.333 4.340 -0.010 0.000 0.205 480 L C 1.298 178.210 176.870 0.070 0.000 1.075 480 L CA 0.811 55.684 54.840 0.056 0.000 0.747 480 L CB -0.220 41.889 42.059 0.083 0.000 0.903 480 L HN 0.145 nan 8.230 nan 0.000 0.435 481 S N -0.819 114.948 115.700 0.111 0.000 2.671 481 S HA 0.169 4.633 4.470 -0.010 0.000 0.272 481 S C -0.416 174.265 174.600 0.135 0.000 1.174 481 S CA -0.862 57.450 58.200 0.186 0.000 1.004 481 S CB 1.008 64.462 63.200 0.424 0.000 1.077 481 S HN 0.301 nan 8.310 nan 0.000 0.553 482 D N -0.642 119.866 120.400 0.180 0.000 2.383 482 D HA 0.549 5.183 4.640 -0.010 0.000 0.248 482 D C 1.276 177.657 176.300 0.135 0.000 1.170 482 D CA -0.242 53.832 54.000 0.123 0.000 0.977 482 D CB 0.450 41.315 40.800 0.107 0.000 1.120 482 D HN 0.543 nan 8.370 nan 0.000 0.481 483 A N 0.758 123.634 122.820 0.093 0.000 1.917 483 A HA -0.103 4.211 4.320 -0.010 0.000 0.219 483 A C 2.187 179.855 177.584 0.140 0.000 1.182 483 A CA 2.425 54.514 52.037 0.087 0.000 0.633 483 A CB -1.470 17.570 19.000 0.066 0.000 0.819 483 A HN 0.737 nan 8.150 nan 0.000 0.448 484 A N -2.315 120.608 122.820 0.171 0.000 2.014 484 A HA 0.130 4.444 4.320 -0.010 0.000 0.218 484 A C 2.017 179.806 177.584 0.342 0.000 1.163 484 A CA 1.147 53.311 52.037 0.211 0.000 0.652 484 A CB -0.481 18.620 19.000 0.167 0.000 0.808 484 A HN 0.626 nan 8.150 nan 0.000 0.449 485 F N -0.273 119.764 119.950 0.144 0.000 2.317 485 F HA 0.008 4.529 4.527 -0.010 0.000 0.293 485 F C 2.485 178.433 175.800 0.247 0.000 1.085 485 F CA 0.284 58.411 58.000 0.211 0.000 1.390 485 F CB 0.084 39.186 39.000 0.169 0.000 1.077 485 F HN 0.096 nan 8.300 nan 0.000 0.517 486 R N 0.429 121.038 120.500 0.181 0.000 2.096 486 R HA -0.270 4.065 4.340 -0.010 0.000 0.240 486 R C 2.094 178.483 176.300 0.148 0.000 1.139 486 R CA 1.836 57.983 56.100 0.079 0.000 0.952 486 R CB -0.984 29.275 30.300 -0.069 0.000 0.854 486 R HN 0.372 nan 8.270 nan 0.000 0.436 487 N N 0.391 119.191 118.700 0.167 0.000 2.104 487 N HA -0.215 4.519 4.740 -0.010 0.000 0.190 487 N C 1.753 177.350 175.510 0.145 0.000 1.024 487 N CA 1.419 54.562 53.050 0.156 0.000 0.853 487 N CB -0.084 38.503 38.487 0.167 0.000 1.008 487 N HN 0.118 nan 8.380 nan 0.000 0.424 488 F N 1.906 121.915 119.950 0.099 0.000 2.102 488 F HA -0.064 4.457 4.527 -0.010 0.000 0.298 488 F C 2.223 177.972 175.800 -0.084 0.000 1.105 488 F CA 1.158 59.201 58.000 0.072 0.000 1.239 488 F CB -0.532 38.579 39.000 0.186 0.000 0.991 488 F HN -0.015 nan 8.300 nan 0.000 0.474 489 I N 0.453 120.783 120.570 -0.400 0.000 2.208 489 I HA -0.296 3.868 4.170 -0.010 0.000 0.245 489 I C 2.488 178.307 176.117 -0.496 0.000 1.097 489 I CA 1.898 62.843 61.300 -0.591 0.000 1.363 489 I CB -0.686 37.160 38.000 -0.256 0.000 1.051 489 I HN 0.310 nan 8.210 nan 0.000 0.413 490 E N 0.883 120.947 120.200 -0.228 0.000 2.051 490 E HA -0.289 4.055 4.350 -0.010 0.000 0.192 490 E C 2.257 178.715 176.600 -0.237 0.000 0.991 490 E CA 1.416 57.703 56.400 -0.187 0.000 0.799 490 E CB -0.059 29.659 29.700 0.030 0.000 0.748 490 E HN 0.434 nan 8.360 nan 0.000 0.449 491 Q N -0.137 119.533 119.800 -0.218 0.000 2.030 491 Q HA -0.195 4.139 4.340 -0.010 0.000 0.204 491 Q C 2.384 178.214 176.000 -0.284 0.000 0.986 491 Q CA 1.500 57.194 55.803 -0.183 0.000 0.843 491 Q CB -0.170 28.517 28.738 -0.085 0.000 0.904 491 Q HN 0.314 nan 8.270 nan 0.000 0.420 492 L N 0.371 121.273 121.223 -0.535 0.000 2.127 492 L HA -0.149 4.185 4.340 -0.010 0.000 0.211 492 L C 2.079 178.680 176.870 -0.449 0.000 1.089 492 L CA 2.213 56.702 54.840 -0.585 0.000 0.757 492 L CB -0.382 41.040 42.059 -1.063 0.000 0.899 492 L HN 0.332 nan 8.230 nan 0.000 0.434 493 T N -4.645 109.635 114.554 -0.457 0.000 3.092 493 T HA 0.373 4.717 4.350 -0.010 0.000 0.258 493 T C 1.266 175.817 174.700 -0.249 0.000 1.031 493 T CA 0.132 62.013 62.100 -0.366 0.000 0.925 493 T CB -0.065 68.536 68.868 -0.444 0.000 1.036 493 T HN 0.484 nan 8.240 nan 0.000 0.544 494 G N 1.213 109.886 108.800 -0.212 0.000 2.225 494 G HA2 0.043 3.997 3.960 -0.010 0.000 0.267 494 G HA3 0.043 3.997 3.960 -0.010 0.000 0.267 494 G C 1.135 175.949 174.900 -0.143 0.000 1.024 494 G CA 0.306 45.320 45.100 -0.144 0.000 0.784 494 G HN 1.783 nan 8.290 nan 0.000 0.507 495 G N -1.621 107.064 108.800 -0.192 0.000 2.168 495 G HA2 -0.026 3.928 3.960 -0.010 0.000 0.257 495 G HA3 -0.026 3.928 3.960 -0.010 0.000 0.257 495 G C 0.505 175.283 174.900 -0.203 0.000 0.997 495 G CA 1.280 46.264 45.100 -0.195 0.000 0.708 495 G HN 2.142 nan 8.290 nan 0.000 0.520 496 S N -0.871 114.707 115.700 -0.204 0.000 2.422 496 S HA 0.552 5.016 4.470 -0.010 0.000 0.298 496 S C 1.538 176.026 174.600 -0.187 0.000 1.118 496 S CA -0.273 57.831 58.200 -0.160 0.000 1.083 496 S CB 0.920 64.049 63.200 -0.117 0.000 0.971 496 S HN 0.402 nan 8.310 nan 0.000 0.478 497 R N 2.225 122.631 120.500 -0.157 0.000 2.148 497 R HA -0.033 4.301 4.340 -0.010 0.000 0.223 497 R C 2.283 178.539 176.300 -0.073 0.000 1.088 497 R CA 1.160 57.181 56.100 -0.132 0.000 0.985 497 R CB -0.120 30.128 30.300 -0.087 0.000 0.880 497 R HN 0.663 nan 8.270 nan 0.000 0.451 498 E N 0.470 120.635 120.200 -0.059 0.000 2.047 498 E HA -0.108 4.236 4.350 -0.010 0.000 0.191 498 E C 1.843 178.431 176.600 -0.020 0.000 0.987 498 E CA 1.146 57.529 56.400 -0.030 0.000 0.799 498 E CB -0.182 29.503 29.700 -0.025 0.000 0.752 498 E HN 0.372 nan 8.360 nan 0.000 0.449 499 I N -0.215 120.328 120.570 -0.045 0.000 2.315 499 I HA -0.225 3.939 4.170 -0.010 0.000 0.248 499 I C 2.697 178.802 176.117 -0.020 0.000 1.117 499 I CA 1.284 62.562 61.300 -0.036 0.000 1.404 499 I CB -0.257 37.691 38.000 -0.086 0.000 1.071 499 I HN 0.281 nan 8.210 nan 0.000 0.419 500 M N -0.220 119.338 119.600 -0.070 0.000 2.106 500 M HA -0.265 4.209 4.480 -0.010 0.000 0.259 500 M C 2.434 178.811 176.300 0.128 0.000 1.068 500 M CA 2.007 57.304 55.300 -0.005 0.000 1.100 500 M CB -0.315 32.236 32.600 -0.081 0.000 1.351 500 M HN 0.113 nan 8.290 nan 0.000 0.404 501 R N -0.642 119.895 120.500 0.062 0.000 2.062 501 R HA -0.061 4.273 4.340 -0.010 0.000 0.226 501 R C 2.441 178.784 176.300 0.072 0.000 1.125 501 R CA 1.740 57.873 56.100 0.055 0.000 0.966 501 R CB -0.356 29.950 30.300 0.011 0.000 0.861 501 R HN 0.444 nan 8.270 nan 0.000 0.433 502 S N 0.445 116.199 115.700 0.089 0.000 2.481 502 S HA 0.008 4.472 4.470 -0.010 0.000 0.231 502 S C 1.450 176.198 174.600 0.246 0.000 0.996 502 S CA 0.463 58.753 58.200 0.150 0.000 0.942 502 S CB 0.158 63.431 63.200 0.120 0.000 0.768 502 S HN 0.123 nan 8.310 nan 0.000 0.520 503 R N 1.527 122.172 120.500 0.240 0.000 2.388 503 R HA 0.386 4.720 4.340 -0.010 0.000 0.247 503 R C -0.332 176.246 176.300 0.464 0.000 0.931 503 R CA -0.018 56.282 56.100 0.333 0.000 1.082 503 R CB -0.403 30.088 30.300 0.319 0.000 1.135 503 R HN 0.282 nan 8.270 nan 0.000 0.525 504 S N 2.555 118.443 115.700 0.314 0.000 2.422 504 S HA 0.239 4.703 4.470 -0.010 0.000 0.298 504 S C -1.683 172.977 174.600 0.099 0.000 1.118 504 S CA -1.226 57.074 58.200 0.166 0.000 1.083 504 S CB 1.851 65.086 63.200 0.058 0.000 0.971 504 S HN -0.030 nan 8.310 nan 0.000 0.478 505 P HA -0.021 nan 4.420 nan 0.000 0.220 505 P C 1.280 178.568 177.300 -0.019 0.000 1.148 505 P CA 0.478 63.599 63.100 0.036 0.000 0.803 505 P CB 0.096 31.762 31.700 -0.057 0.000 0.782 506 I N -0.515 120.012 120.570 -0.072 0.000 2.530 506 I HA -0.195 3.969 4.170 -0.010 0.000 0.257 506 I C 1.082 177.126 176.117 -0.123 0.000 1.179 506 I CA 1.209 62.450 61.300 -0.099 0.000 1.440 506 I CB -0.132 37.805 38.000 -0.106 0.000 1.087 506 I HN -0.101 nan 8.210 nan 0.000 0.440 507 N N -0.206 118.382 118.700 -0.188 0.000 2.398 507 N HA 0.006 4.741 4.740 -0.010 0.000 0.188 507 N C 0.288 175.499 175.510 -0.497 0.000 1.122 507 N CA 0.608 53.456 53.050 -0.338 0.000 0.866 507 N CB 0.045 38.285 38.487 -0.411 0.000 0.970 507 N HN 0.469 nan 8.380 nan 0.000 0.462 508 H N -0.996 118.050 119.070 -0.039 0.000 2.777 508 H HA 0.221 4.771 4.556 -0.009 0.000 0.244 508 H C 1.414 176.713 175.328 -0.047 0.000 1.185 508 H CA -0.154 55.871 56.048 -0.038 0.000 0.945 508 H CB 0.326 30.066 29.762 -0.038 0.000 1.994 508 H HN -0.117 nan 8.280 nan 0.000 0.638 509 V N 1.442 121.367 119.914 0.018 0.000 2.392 509 V HA -0.286 3.828 4.120 -0.010 0.000 0.249 509 V C 2.542 178.636 176.094 0.001 0.000 1.059 509 V CA 2.356 64.647 62.300 -0.015 0.000 1.051 509 V CB -0.242 31.544 31.823 -0.060 0.000 0.658 509 V HN 0.599 nan 8.190 nan 0.000 0.455 510 D N 0.706 121.113 120.400 0.012 0.000 2.228 510 D HA -0.287 4.347 4.640 -0.010 0.000 0.203 510 D C 2.012 178.322 176.300 0.017 0.000 0.988 510 D CA 1.521 55.529 54.000 0.013 0.000 0.864 510 D CB -0.254 40.555 40.800 0.015 0.000 0.928 510 D HN 0.402 nan 8.370 nan 0.000 0.469 511 R N -0.124 120.391 120.500 0.025 0.000 2.240 511 R HA 0.271 4.605 4.340 -0.010 0.000 0.203 511 R C 0.744 177.046 176.300 0.003 0.000 1.011 511 R CA -0.106 55.999 56.100 0.008 0.000 1.007 511 R CB 0.075 30.371 30.300 -0.006 0.000 0.911 511 R HN 0.254 nan 8.270 nan 0.000 0.468 512 I N 2.045 122.619 120.570 0.007 0.000 2.662 512 I HA -0.096 4.069 4.170 -0.010 0.000 0.285 512 I C 0.888 177.019 176.117 0.024 0.000 1.161 512 I CA 0.530 61.838 61.300 0.013 0.000 1.415 512 I CB 0.684 38.689 38.000 0.008 0.000 1.385 512 I HN -0.033 nan 8.210 nan 0.000 0.552 513 K N 4.656 125.073 120.400 0.030 0.000 2.374 513 K HA 0.277 4.591 4.320 -0.010 0.000 0.202 513 K C -0.076 176.558 176.600 0.056 0.000 1.040 513 K CA 0.177 56.485 56.287 0.035 0.000 1.085 513 K CB 0.457 32.968 32.500 0.019 0.000 0.873 513 K HN 0.533 nan 8.250 nan 0.000 0.539 514 E N 0.448 120.694 120.200 0.076 0.000 2.277 514 E HA 0.348 4.693 4.350 -0.010 0.000 0.266 514 E C -2.737 173.956 176.600 0.155 0.000 0.901 514 E CA -2.308 54.157 56.400 0.108 0.000 0.782 514 E CB 1.480 31.253 29.700 0.120 0.000 1.228 514 E HN -0.225 nan 8.360 nan 0.000 0.424 515 P HA 0.046 nan 4.420 nan 0.000 0.265 515 P C -1.245 176.281 177.300 0.376 0.000 1.193 515 P CA -0.192 63.092 63.100 0.307 0.000 0.765 515 P CB 0.361 32.266 31.700 0.342 0.000 0.823 516 L N 3.142 124.526 121.223 0.268 0.000 2.362 516 L HA 0.748 5.082 4.340 -0.010 0.000 0.275 516 L C -0.995 175.794 176.870 -0.135 0.000 0.998 516 L CA -0.848 54.044 54.840 0.085 0.000 0.820 516 L CB 1.524 43.609 42.059 0.043 0.000 1.270 516 L HN 0.386 nan 8.230 nan 0.000 0.415 517 A N 6.194 128.731 122.820 -0.471 0.000 2.287 517 A HA 0.743 5.058 4.320 -0.010 0.000 0.317 517 A C -1.153 176.278 177.584 -0.256 0.000 1.220 517 A CA -0.494 51.163 52.037 -0.634 0.000 0.835 517 A CB 0.435 18.611 19.000 -1.373 0.000 1.180 517 A HN 0.719 nan 8.150 nan 0.000 0.500 518 L N 3.474 124.635 121.223 -0.103 0.000 2.282 518 L HA 0.538 4.872 4.340 -0.010 0.000 0.288 518 L C -0.644 176.259 176.870 0.055 0.000 1.033 518 L CA -0.173 54.649 54.840 -0.030 0.000 0.807 518 L CB 1.289 43.333 42.059 -0.024 0.000 1.209 518 L HN 0.569 nan 8.230 nan 0.000 0.423 519 I N 2.467 123.092 120.570 0.092 0.000 2.406 519 I HA 0.433 4.597 4.170 -0.010 0.000 0.290 519 I C -0.845 175.403 176.117 0.218 0.000 0.999 519 I CA -0.493 60.910 61.300 0.172 0.000 1.124 519 I CB 1.704 39.807 38.000 0.171 0.000 1.289 519 I HN 0.568 nan 8.210 nan 0.000 0.441 520 H N 6.383 125.498 119.070 0.076 0.000 3.029 520 H HA 0.381 4.931 4.556 -0.010 0.000 0.358 520 H C -2.794 172.561 175.328 0.046 0.000 1.129 520 H CA -1.162 54.917 56.048 0.051 0.000 1.230 520 H CB 2.975 32.751 29.762 0.024 0.000 1.827 520 H HN 0.241 nan 8.280 nan 0.000 0.530 521 P HA 0.029 nan 4.420 nan 0.000 0.276 521 P C -0.304 177.033 177.300 0.063 0.000 1.230 521 P CA -0.295 62.779 63.100 -0.044 0.000 0.776 521 P CB 1.390 33.015 31.700 -0.124 0.000 0.888 522 Q N 2.629 122.468 119.800 0.065 0.000 2.403 522 Q HA -0.003 4.331 4.340 -0.010 0.000 0.203 522 Q C 0.371 176.401 176.000 0.051 0.000 0.932 522 Q CA 0.898 56.747 55.803 0.077 0.000 0.945 522 Q CB -0.312 28.462 28.738 0.060 0.000 1.045 522 Q HN 0.378 nan 8.270 nan 0.000 0.511 523 N N -0.701 118.016 118.700 0.029 0.000 2.361 523 N HA 0.049 4.783 4.740 -0.010 0.000 0.253 523 N C -1.277 174.235 175.510 0.003 0.000 1.413 523 N CA -0.349 52.712 53.050 0.017 0.000 0.821 523 N CB -0.380 38.114 38.487 0.012 0.000 1.380 523 N HN 0.107 nan 8.380 nan 0.000 0.493 524 N N 1.248 119.945 118.700 -0.006 0.000 2.501 524 N HA 0.109 4.843 4.740 -0.010 0.000 0.245 524 N C 0.490 175.990 175.510 -0.016 0.000 0.974 524 N CA -0.185 52.848 53.050 -0.028 0.000 0.941 524 N CB 1.392 39.841 38.487 -0.063 0.000 1.122 524 N HN 0.191 nan 8.380 nan 0.000 0.507 525 S N 3.190 118.882 115.700 -0.012 0.000 2.595 525 S HA 0.032 4.497 4.470 -0.010 0.000 0.235 525 S C 1.154 175.751 174.600 -0.006 0.000 0.974 525 S CA 0.386 58.589 58.200 0.004 0.000 0.942 525 S CB -0.028 63.177 63.200 0.008 0.000 0.766 525 S HN 0.618 nan 8.310 nan 0.000 0.536 526 R N 0.960 121.427 120.500 -0.055 0.000 2.282 526 R HA 0.104 4.439 4.340 -0.010 0.000 0.195 526 R C 0.003 176.260 176.300 -0.071 0.000 0.909 526 R CA 0.907 56.927 56.100 -0.133 0.000 1.039 526 R CB 0.384 30.528 30.300 -0.261 0.000 1.015 526 R HN 0.563 nan 8.270 nan 0.000 0.513 527 T N 0.637 115.176 114.554 -0.025 0.000 3.226 527 T HA 0.326 4.670 4.350 -0.010 0.000 0.378 527 T C -2.628 172.148 174.700 0.126 0.000 1.380 527 T CA -1.968 60.159 62.100 0.046 0.000 1.396 527 T CB 1.733 70.551 68.868 -0.084 0.000 1.044 527 T HN -0.129 nan 8.240 nan 0.000 0.586 528 P HA 0.215 nan 4.420 nan 0.000 0.274 528 P C 0.704 178.119 177.300 0.193 0.000 1.246 528 P CA -0.738 62.444 63.100 0.137 0.000 0.795 528 P CB 1.259 33.016 31.700 0.095 0.000 1.006 529 L N 1.584 122.886 121.223 0.131 0.000 2.179 529 L HA 0.014 4.348 4.340 -0.010 0.000 0.208 529 L C 2.510 179.361 176.870 -0.032 0.000 1.096 529 L CA 1.739 56.617 54.840 0.064 0.000 0.779 529 L CB -1.102 41.002 42.059 0.075 0.000 0.922 529 L HN 0.329 nan 8.230 nan 0.000 0.443 530 K N -0.204 120.193 120.400 -0.005 0.000 2.020 530 K HA -0.170 4.145 4.320 -0.010 0.000 0.212 530 K C -0.522 176.045 176.600 -0.055 0.000 1.050 530 K CA 2.084 58.357 56.287 -0.023 0.000 0.929 530 K CB -0.982 31.516 32.500 -0.004 0.000 0.714 530 K HN 0.275 nan 8.250 nan 0.000 0.443 531 P HA -0.155 nan 4.420 nan 0.000 0.217 531 P C 1.176 178.392 177.300 -0.141 0.000 1.150 531 P CA 0.895 63.945 63.100 -0.083 0.000 0.832 531 P CB 0.072 31.731 31.700 -0.068 0.000 0.787 532 L N -1.122 119.977 121.223 -0.207 0.000 2.156 532 L HA -0.072 4.262 4.340 -0.010 0.000 0.208 532 L C 2.126 178.867 176.870 -0.215 0.000 1.095 532 L CA 1.488 56.149 54.840 -0.298 0.000 0.770 532 L CB -1.104 40.590 42.059 -0.609 0.000 0.914 532 L HN -0.145 nan 8.230 nan 0.000 0.439 533 L N -0.804 120.329 121.223 -0.151 0.000 2.079 533 L HA -0.234 4.100 4.340 -0.010 0.000 0.210 533 L C 2.739 179.548 176.870 -0.103 0.000 1.081 533 L CA 1.499 56.279 54.840 -0.100 0.000 0.752 533 L CB -0.550 41.474 42.059 -0.058 0.000 0.896 533 L HN 0.293 nan 8.230 nan 0.000 0.433 534 R N 0.249 120.686 120.500 -0.105 0.000 2.075 534 R HA -0.185 4.149 4.340 -0.010 0.000 0.232 534 R C 2.333 178.555 176.300 -0.130 0.000 1.126 534 R CA 1.232 57.274 56.100 -0.097 0.000 0.963 534 R CB -0.249 30.002 30.300 -0.081 0.000 0.858 534 R HN 0.167 nan 8.270 nan 0.000 0.435 535 L N 0.850 121.975 121.223 -0.164 0.000 2.012 535 L HA -0.168 4.167 4.340 -0.010 0.000 0.210 535 L C 2.070 178.765 176.870 -0.291 0.000 1.073 535 L CA 1.891 56.607 54.840 -0.208 0.000 0.748 535 L CB -0.353 41.574 42.059 -0.220 0.000 0.891 535 L HN 0.292 nan 8.230 nan 0.000 0.431 536 M N -1.032 118.380 119.600 -0.314 0.000 2.159 536 M HA -0.130 4.344 4.480 -0.010 0.000 0.263 536 M C 2.147 178.286 176.300 -0.268 0.000 1.063 536 M CA 1.663 56.700 55.300 -0.439 0.000 1.110 536 M CB -1.016 31.457 32.600 -0.212 0.000 1.374 536 M HN 0.489 nan 8.290 nan 0.000 0.411 537 G N -0.007 108.708 108.800 -0.142 0.000 2.442 537 G HA2 -0.197 3.758 3.960 -0.010 0.000 0.219 537 G HA3 -0.197 3.758 3.960 -0.010 0.000 0.219 537 G C 1.468 176.317 174.900 -0.085 0.000 1.141 537 G CA 0.738 45.792 45.100 -0.076 0.000 0.763 537 G HN 0.380 nan 8.290 nan 0.000 0.554 538 E N 0.283 120.409 120.200 -0.123 0.000 2.072 538 E HA 0.020 4.364 4.350 -0.010 0.000 0.190 538 E C 2.750 179.281 176.600 -0.116 0.000 0.982 538 E CA 0.251 56.588 56.400 -0.105 0.000 0.803 538 E CB -0.298 29.335 29.700 -0.111 0.000 0.755 538 E HN 0.415 nan 8.360 nan 0.000 0.453 539 L N 0.667 121.760 121.223 -0.217 0.000 2.012 539 L HA -0.228 4.107 4.340 -0.010 0.000 0.210 539 L C 2.641 179.484 176.870 -0.046 0.000 1.073 539 L CA 0.820 55.522 54.840 -0.231 0.000 0.748 539 L CB -0.477 41.194 42.059 -0.646 0.000 0.891 539 L HN 0.157 nan 8.230 nan 0.000 0.431 540 L N 0.098 121.320 121.223 -0.002 0.000 2.017 540 L HA -0.125 4.209 4.340 -0.010 0.000 0.208 540 L C 2.606 179.514 176.870 0.064 0.000 1.073 540 L CA 2.067 56.992 54.840 0.141 0.000 0.745 540 L CB -0.793 41.363 42.059 0.161 0.000 0.894 540 L HN 0.135 nan 8.230 nan 0.000 0.432 541 A N -0.360 122.471 122.820 0.018 0.000 1.972 541 A HA -0.171 4.144 4.320 -0.010 0.000 0.219 541 A C 2.210 179.801 177.584 0.012 0.000 1.169 541 A CA 1.679 53.722 52.037 0.010 0.000 0.635 541 A CB -0.499 18.496 19.000 -0.008 0.000 0.810 541 A HN 0.559 nan 8.150 nan 0.000 0.446 542 R N -1.254 119.251 120.500 0.008 0.000 2.388 542 R HA 0.293 4.627 4.340 -0.010 0.000 0.247 542 R C 0.903 177.221 176.300 0.029 0.000 0.931 542 R CA 0.400 56.507 56.100 0.011 0.000 1.082 542 R CB -0.008 30.291 30.300 -0.002 0.000 1.135 542 R HN 0.589 nan 8.270 nan 0.000 0.525 543 G N 2.098 110.926 108.800 0.048 0.000 2.246 543 G HA2 -0.268 3.686 3.960 -0.010 0.000 0.273 543 G HA3 -0.268 3.686 3.960 -0.010 0.000 0.273 543 G C -0.259 174.690 174.900 0.082 0.000 1.055 543 G CA 0.053 45.191 45.100 0.063 0.000 0.851 543 G HN 0.065 nan 8.290 nan 0.000 0.500 544 K N 0.362 120.826 120.400 0.107 0.000 2.118 544 K HA 0.492 4.806 4.320 -0.010 0.000 0.264 544 K C 0.633 177.370 176.600 0.229 0.000 1.000 544 K CA -0.315 56.053 56.287 0.134 0.000 0.929 544 K CB 0.763 33.318 32.500 0.092 0.000 1.021 544 K HN 0.112 nan 8.250 nan 0.000 0.463 545 T N 3.775 118.446 114.554 0.195 0.000 2.761 545 T HA 0.401 4.746 4.350 -0.010 0.000 0.296 545 T C -0.137 174.751 174.700 0.315 0.000 0.934 545 T CA -0.162 62.056 62.100 0.198 0.000 1.091 545 T CB -0.540 68.420 68.868 0.154 0.000 0.896 545 T HN 0.441 nan 8.240 nan 0.000 0.515 546 F N 0.701 120.680 119.950 0.048 0.000 2.631 546 F HA 0.765 5.286 4.527 -0.010 0.000 0.308 546 F C -0.753 175.046 175.800 -0.001 0.000 1.097 546 F CA -1.343 56.668 58.000 0.017 0.000 0.952 546 F CB 1.591 40.572 39.000 -0.032 0.000 1.307 546 F HN 0.393 nan 8.300 nan 0.000 0.450 547 E N 1.870 122.060 120.200 -0.017 0.000 2.207 547 E HA 0.811 5.155 4.350 -0.010 0.000 0.270 547 E C -1.601 174.947 176.600 -0.088 0.000 0.927 547 E CA -1.222 55.089 56.400 -0.148 0.000 0.799 547 E CB 2.049 31.711 29.700 -0.063 0.000 1.172 547 E HN 1.064 nan 8.360 nan 0.000 0.404 548 A N 3.859 126.530 122.820 -0.249 0.000 2.486 548 A HA 0.515 4.829 4.320 -0.010 0.000 0.300 548 A C -1.663 175.622 177.584 -0.498 0.000 1.048 548 A CA -0.679 51.257 52.037 -0.168 0.000 0.696 548 A CB 1.292 20.325 19.000 0.054 0.000 1.278 548 A HN 0.713 nan 8.150 nan 0.000 0.405 549 H N 2.135 121.230 119.070 0.042 0.000 2.970 549 H HA 0.382 4.932 4.556 -0.010 0.000 0.315 549 H C -1.471 173.896 175.328 0.065 0.000 0.992 549 H CA -0.336 55.738 56.048 0.044 0.000 1.363 549 H CB 1.320 31.104 29.762 0.036 0.000 1.532 549 H HN 0.450 nan 8.280 nan 0.000 0.514 550 I N 5.820 126.463 120.570 0.121 0.000 2.307 550 I HA 0.122 4.286 4.170 -0.010 0.000 0.289 550 I C 0.271 176.449 176.117 0.101 0.000 1.021 550 I CA -0.363 61.007 61.300 0.117 0.000 1.224 550 I CB 0.579 38.626 38.000 0.079 0.000 1.376 550 I HN 0.387 nan 8.210 nan 0.000 0.470 551 I N 5.587 126.213 120.570 0.094 0.000 2.689 551 I HA 0.739 4.904 4.170 -0.010 0.000 0.299 551 I C -2.967 173.175 176.117 0.041 0.000 1.059 551 I CA -2.660 58.677 61.300 0.062 0.000 1.055 551 I CB 1.753 39.785 38.000 0.052 0.000 1.243 551 I HN 0.163 nan 8.210 nan 0.000 0.425 552 P HA 0.221 nan 4.420 nan 0.000 0.274 552 P C -0.937 176.366 177.300 0.005 0.000 1.246 552 P CA 0.217 63.327 63.100 0.017 0.000 0.795 552 P CB 0.274 31.982 31.700 0.014 0.000 1.006 553 D N -1.663 118.734 120.400 -0.003 0.000 2.812 553 D HA -0.129 4.505 4.640 -0.010 0.000 0.237 553 D C -0.132 176.157 176.300 -0.017 0.000 1.162 553 D CA 1.300 55.292 54.000 -0.012 0.000 0.740 553 D CB -1.084 39.711 40.800 -0.010 0.000 1.000 553 D HN 0.503 nan 8.370 nan 0.000 0.416 558 I N 1.371 121.947 120.570 0.010 0.000 2.448 558 I HA 0.574 4.738 4.170 -0.010 0.000 0.281 558 I C -0.331 175.780 176.117 -0.009 0.000 1.027 558 I CA -0.465 60.826 61.300 -0.015 0.000 1.111 558 I CB 1.086 39.068 38.000 -0.031 0.000 1.236 558 I HN 0.697 nan 8.210 nan 0.000 0.452 559 N N 2.921 121.616 118.700 -0.009 0.000 2.380 559 N HA 0.092 4.826 4.740 -0.010 0.000 0.227 559 N C 0.046 175.555 175.510 -0.003 0.000 1.139 559 N CA 0.227 53.283 53.050 0.010 0.000 0.843 559 N CB 0.687 39.193 38.487 0.032 0.000 1.327 559 N HN 0.718 nan 8.380 nan 0.000 0.470 560 T N -1.672 112.871 114.554 -0.018 0.000 2.897 560 T HA 0.263 4.607 4.350 -0.010 0.000 0.278 560 T C 1.026 175.700 174.700 -0.044 0.000 0.981 560 T CA -0.592 61.495 62.100 -0.023 0.000 0.973 560 T CB 1.431 70.287 68.868 -0.019 0.000 1.092 560 T HN -0.192 nan 8.240 nan 0.000 0.543 561 M N 0.633 120.209 119.600 -0.040 0.000 2.200 561 M HA 0.027 4.502 4.480 -0.010 0.000 0.265 561 M C 2.217 178.481 176.300 -0.060 0.000 1.066 561 M CA 1.504 56.773 55.300 -0.052 0.000 1.127 561 M CB -1.233 31.346 32.600 -0.036 0.000 1.379 561 M HN 0.738 nan 8.290 nan 0.000 0.420 562 E N 0.525 120.698 120.200 -0.044 0.000 2.070 562 E HA -0.222 4.122 4.350 -0.010 0.000 0.197 562 E C 1.737 178.305 176.600 -0.055 0.000 1.004 562 E CA 1.687 58.061 56.400 -0.043 0.000 0.805 562 E CB -1.008 28.675 29.700 -0.029 0.000 0.744 562 E HN 0.681 nan 8.360 nan 0.000 0.451 563 D N 0.064 120.430 120.400 -0.057 0.000 2.117 563 D HA -0.065 4.569 4.640 -0.010 0.000 0.197 563 D C 2.090 178.329 176.300 -0.102 0.000 0.987 563 D CA 1.436 55.397 54.000 -0.066 0.000 0.829 563 D CB -0.670 40.096 40.800 -0.057 0.000 0.961 563 D HN 0.356 nan 8.370 nan 0.000 0.460 564 A N 0.942 123.685 122.820 -0.130 0.000 1.908 564 A HA -0.165 4.149 4.320 -0.010 0.000 0.218 564 A C 2.577 180.049 177.584 -0.187 0.000 1.181 564 A CA 1.407 53.328 52.037 -0.194 0.000 0.627 564 A CB -0.853 18.034 19.000 -0.188 0.000 0.818 564 A HN 0.152 nan 8.150 nan 0.000 0.445 565 V N -0.127 119.700 119.914 -0.146 0.000 2.343 565 V HA -0.278 3.837 4.120 -0.010 0.000 0.247 565 V C 2.478 178.486 176.094 -0.142 0.000 1.051 565 V CA 2.457 64.668 62.300 -0.150 0.000 1.036 565 V CB -0.631 31.134 31.823 -0.097 0.000 0.654 565 V HN 0.566 nan 8.190 nan 0.000 0.451 566 K N -0.150 120.190 120.400 -0.099 0.000 2.062 566 K HA 0.010 4.324 4.320 -0.010 0.000 0.205 566 K C 1.933 178.496 176.600 -0.061 0.000 1.051 566 K CA 1.908 58.155 56.287 -0.066 0.000 0.941 566 K CB -0.034 32.444 32.500 -0.036 0.000 0.719 566 K HN 0.657 nan 8.250 nan 0.000 0.440 567 I N -2.557 117.973 120.570 -0.066 0.000 4.456 567 I HA 0.113 4.277 4.170 -0.010 0.000 0.329 567 I C 1.271 177.410 176.117 0.038 0.000 1.313 567 I CA 0.065 61.367 61.300 0.003 0.000 1.205 567 I CB 0.411 38.420 38.000 0.014 0.000 1.179 567 I HN -0.049 nan 8.210 nan 0.000 0.419 568 L N 0.892 122.048 121.223 -0.111 0.000 2.262 568 L HA 0.276 4.611 4.340 -0.010 0.000 0.197 568 L C 1.979 178.734 176.870 -0.192 0.000 1.073 568 L CA 1.357 56.099 54.840 -0.163 0.000 0.800 568 L CB -0.730 41.050 42.059 -0.465 0.000 0.987 568 L HN 0.177 nan 8.230 nan 0.000 0.470 569 L N 0.817 121.853 121.223 -0.311 0.000 2.021 569 L HA -0.171 4.163 4.340 -0.010 0.000 0.215 569 L C -0.524 176.004 176.870 -0.569 0.000 1.074 569 L CA 2.493 57.001 54.840 -0.553 0.000 0.760 569 L CB -1.931 39.733 42.059 -0.658 0.000 0.889 569 L HN 0.213 nan 8.230 nan 0.000 0.433 570 P HA -0.120 nan 4.420 nan 0.000 0.218 570 P C 1.412 178.699 177.300 -0.021 0.000 1.149 570 P CA 1.770 64.698 63.100 -0.287 0.000 0.817 570 P CB -0.088 31.308 31.700 -0.508 0.000 0.785 571 A N -0.777 122.043 122.820 0.000 0.000 1.898 571 A HA -0.084 4.231 4.320 -0.010 0.000 0.214 571 A C 2.260 179.907 177.584 0.105 0.000 1.183 571 A CA 1.403 53.493 52.037 0.089 0.000 0.622 571 A CB -1.488 17.576 19.000 0.107 0.000 0.824 571 A HN 0.016 nan 8.150 nan 0.000 0.444 572 V N -0.733 119.207 119.914 0.042 0.000 2.379 572 V HA -0.176 3.938 4.120 -0.010 0.000 0.245 572 V C 2.330 178.576 176.094 0.253 0.000 1.044 572 V CA 1.588 63.933 62.300 0.074 0.000 1.036 572 V CB -1.009 30.841 31.823 0.046 0.000 0.664 572 V HN 0.488 nan 8.190 nan 0.000 0.453 573 F N 0.016 120.019 119.950 0.089 0.000 2.069 573 F HA -0.182 4.339 4.527 -0.010 0.000 0.298 573 F C 2.307 178.195 175.800 0.147 0.000 1.113 573 F CA 1.359 59.439 58.000 0.134 0.000 1.214 573 F CB -1.436 37.714 39.000 0.250 0.000 0.978 573 F HN 0.226 nan 8.300 nan 0.000 0.474 574 F N 0.533 120.630 119.950 0.245 0.000 2.091 574 F HA -0.234 4.288 4.527 -0.009 0.000 0.299 574 F C 2.197 178.026 175.800 0.048 0.000 1.103 574 F CA 1.625 59.712 58.000 0.145 0.000 1.228 574 F CB -0.675 38.397 39.000 0.120 0.000 0.984 574 F HN -0.111 nan 8.300 nan 0.000 0.477 575 L N -0.208 121.009 121.223 -0.011 0.000 2.056 575 L HA -0.180 4.155 4.340 -0.010 0.000 0.207 575 L C 2.828 179.624 176.870 -0.124 0.000 1.078 575 L CA 1.151 55.801 54.840 -0.317 0.000 0.749 575 L CB -1.195 40.540 42.059 -0.540 0.000 0.901 575 L HN 0.267 nan 8.230 nan 0.000 0.433 576 A N -0.823 122.043 122.820 0.077 0.000 1.940 576 A HA -0.236 4.078 4.320 -0.010 0.000 0.219 576 A C 2.362 179.891 177.584 -0.091 0.000 1.176 576 A CA 2.487 54.561 52.037 0.061 0.000 0.631 576 A CB -0.870 18.134 19.000 0.007 0.000 0.814 576 A HN 0.365 nan 8.150 nan 0.000 0.446 577 T N -0.594 113.887 114.554 -0.121 0.000 2.857 577 T HA -0.089 4.255 4.350 -0.010 0.000 0.266 577 T C 2.074 176.686 174.700 -0.146 0.000 1.048 577 T CA 1.360 63.381 62.100 -0.132 0.000 1.139 577 T CB -0.188 68.641 68.868 -0.065 0.000 0.874 577 T HN 0.456 nan 8.240 nan 0.000 0.455 578 Q N 0.681 120.336 119.800 -0.242 0.000 2.224 578 Q HA 0.014 4.348 4.340 -0.010 0.000 0.203 578 Q C 2.304 178.322 176.000 0.030 0.000 0.970 578 Q CA 0.821 56.534 55.803 -0.151 0.000 0.865 578 Q CB -0.295 28.313 28.738 -0.217 0.000 0.922 578 Q HN 0.458 nan 8.270 nan 0.000 0.445 579 R N 0.930 121.443 120.500 0.021 0.000 2.127 579 R HA -0.131 4.203 4.340 -0.010 0.000 0.238 579 R C 1.804 178.118 176.300 0.023 0.000 1.134 579 R CA 1.403 57.556 56.100 0.088 0.000 0.975 579 R CB 0.280 30.573 30.300 -0.012 0.000 0.865 579 R HN 0.069 nan 8.270 nan 0.000 0.447 580 E N 0.127 120.313 120.200 -0.024 0.000 2.299 580 E HA -0.008 4.336 4.350 -0.010 0.000 0.193 580 E C 0.852 177.445 176.600 -0.011 0.000 0.998 580 E CA 0.020 56.402 56.400 -0.031 0.000 0.851 580 E CB -0.313 29.355 29.700 -0.054 0.000 0.795 580 E HN 0.295 nan 8.360 nan 0.000 0.492 581 R N 0.000 120.500 120.500 -0.001 0.000 2.786 581 R HA 0.000 4.334 4.340 -0.010 0.000 0.208 581 R CA 0.000 56.104 56.100 0.007 0.000 0.921 581 R CB 0.000 30.308 30.300 0.013 0.000 0.687 581 R HN 0.000 nan 8.270 nan 0.000 0.535